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Chemistry

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Also known as: 1380329-87-2, Gemlapodect [inn], Rf3jgd64zu, Schembl9108382, Chembl5314465, Noe-105

Molecular Formula

C₂₂H₂₁N₇O₃

Molecular Weight

431.4 g/mol

InChI Key

MMCSMWHWVGGCGL-UHFFFAOYSA-N

FDA UNII

RF3JGD64ZU

1 2D Structure

Gemlapodect

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

2-methyl-4-(morpholine-4-carbonyl)-N-(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)pyrazole-3-carboxamide

2.1.2 InChI

InChI=1S/C22H21N7O3/c1-27-19(17(14-23-27)22(31)28-9-11-32-12-10-28)21(30)24-16-7-8-29-18(13-16)25-20(26-29)15-5-3-2-4-6-15/h2-8,13-14H,9-12H2,1H3,(H,24,30)

2.1.3 InChI Key

MMCSMWHWVGGCGL-UHFFFAOYSA-N

2.2 Other Identifiers

2.2.1 UNII

RF3JGD64ZU

2.3 Synonyms

2.3.1 Depositor-Supplied Synonyms

1. 1380329-87-2

2. Gemlapodect [inn]

3. Rf3jgd64zu

4. Schembl9108382

5. Chembl5314465

6. Noe-105

7. Mmcsmwhwvggcgl-uhfffaoysa-n

8. Glxc-26889

9. At40506

10. Da-53542

11. Hy-152838

12. Cs-0641117

13. 1-methyl-4-(morpholine-4-carbonyl)-n-(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1h-pyrazole-5-carboxamide

14. 1-methyl-4-[(morpholin-4-yl)carbonyl]-n-(2- Phenyl[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1h-pyrazole-5- Carboxamide

15. 1h-pyrazole-5-carboxamide, 1-methyl-4-(4-morpholinylcarbonyl)-n-(2-phenyl(1,2,4)triazolo(1,5-a)pyridin-7-yl)-

2.4 Create Date

2012-07-16

3 Chemical and Physical Properties

Molecular Formula	C₂₂H₂₁N₇O₃
Molecular Weight	431.4 g/mol
XLogP3	1
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	4
Exact Mass	g/mol
Monoisotopic Mass	g/mol
Topological Polar Surface Area	107
Heavy Atom Count	32
Formal Charge	0
Complexity	682
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