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Also known as: 1373116-06-3, 1,3-dihydro-1-[1-(1h-imidazol-1-ylcarbonyl)-4-piperidinyl]-2h-imidazo[4,5-b]pyridin-2-one, 1-(1-(1h-imidazole-1-carbonyl)piperidin-4-yl)-1h-imidazo[4,5-b]pyridin-2(3h)-one, 1-[1-(imidazole-1-carbonyl)piperidin-4-yl]-3h-imidazo[4,5-b]pyridin-2-one, Fp5d5n7ydw, Schembl1670769
Molecular Formula
C15H16N6O2
Molecular Weight
312.33  g/mol
InChI Key
VBWXKTTVXAQTDR-UHFFFAOYSA-N
FDA UNII
FP5D5N7YDW

1373116-06-3
1 2D Structure

1373116-06-3

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
1-[1-(imidazole-1-carbonyl)piperidin-4-yl]-3H-imidazo[4,5-b]pyridin-2-one
2.1.2 InChI
InChI=1S/C15H16N6O2/c22-14-18-13-12(2-1-5-17-13)21(14)11-3-7-19(8-4-11)15(23)20-9-6-16-10-20/h1-2,5-6,9-11H,3-4,7-8H2,(H,17,18,22)
2.1.3 InChI Key
VBWXKTTVXAQTDR-UHFFFAOYSA-N
2.1.4 Canonical SMILES
C1CN(CCC1N2C3=C(NC2=O)N=CC=C3)C(=O)N4C=CN=C4
2.2 Other Identifiers
2.2.1 UNII
FP5D5N7YDW
2.3 Synonyms
2.3.1 Depositor-Supplied Synonyms

1. 1373116-06-3

2. 1,3-dihydro-1-[1-(1h-imidazol-1-ylcarbonyl)-4-piperidinyl]-2h-imidazo[4,5-b]pyridin-2-one

3. 1-(1-(1h-imidazole-1-carbonyl)piperidin-4-yl)-1h-imidazo[4,5-b]pyridin-2(3h)-one

4. 1-[1-(imidazole-1-carbonyl)piperidin-4-yl]-3h-imidazo[4,5-b]pyridin-2-one

5. Fp5d5n7ydw

6. Schembl1670769

7. Wlz3549

8. Vbwxkttvxaqtdr-uhfffaoysa-n

9. Db-126734

10. 1-(1-(1h-imidazole-1-carbonyl)piperidin-4-yl)-1,3-dihydro-2h-imidazo[4,5-b]pyridin-2-one

2.4 Create Date
2012-08-19
3 Chemical and Physical Properties
Molecular Weight 312.33 g/mol
Molecular Formula C15H16N6O2
XLogP30.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count1
Exact Mass g/mol
Monoisotopic Mass g/mol
Topological Polar Surface Area83.4
Heavy Atom Count23
Formal Charge0
Complexity479
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1

BUILDING BLOCK

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