1 2D Structure

2D Structure

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 Formula	C₁₅H₁₆N₆O₂
Molecular Weight	312.33 g/mol
XLogP3	0.2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	1
Exact Mass	g/mol
Monoisotopic Mass	g/mol
Topological Polar Surface Area	83.4
Heavy Atom Count	23
Formal Charge	0
Complexity	479
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1

1373116-06-3