5-[[8-[4-[(3-cyanoazetidin-1-yl)methyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-methylpyridine-2-carboxamide

C24H22N8O — CID 70929449

IUPAC5-[[8-[4-[(3-cyanoazetidin-1-yl)methyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-methylpyridine-2-carboxamide
SMILESCNC(=O)c1ccc(Nc2nc3c(-c4ccc(CN5CC(C#N)C5)cc4)cccn3n2)cn1
InChIInChI=1S/C24H22N8O/c1-26-23(33)21-9-8-19(12-27-21)28-24-29-22-20(3-2-10-32(22)30-24)18-6-4-16(5-7-18)13-31-14-17(11-25)15-31/h2-10,12,17H,13-15H2,1H3,(H,26,33)(H,28,30)
InChIKeyWRLBPQBLJSRQMI-UHFFFAOYSA-N
MW438.50 g/mol
LogP2.85
Rot. Bonds6

About 5-[[8-[4-[(3-cyanoazetidin-1-yl)methyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-methylpyridine-2-carboxamide

5-[[8-[4-[(3-cyanoazetidin-1-yl)methyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-methylpyridine-2-carboxamide (PubChem CID 70929449) has the molecular formula C24H22N8O and a molecular weight of 438.50 g/mol. Its IUPAC name is 5-[[8-[4-[(3-cyanoazetidin-1-yl)methyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-methylpyridine-2-carboxamide.

Molecular Properties

Compound Name5-[[8-[4-[(3-cyanoazetidin-1-yl)methyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-methylpyridine-2-carboxamide
PubChem CID70929449
Molecular FormulaC24H22N8O
Molecular Weight438.50 g/mol
Exact Mass438.19
IUPAC Name5-[[8-[4-[(3-cyanoazetidin-1-yl)methyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-methylpyridine-2-carboxamide
SMILESCNC(=O)c1ccc(Nc2nc3c(-c4ccc(CN5CC(C#N)C5)cc4)cccn3n2)cn1
InChIInChI=1S/C24H22N8O/c1-26-23(33)21-9-8-19(12-27-21)28-24-29-22-20(3-2-10-32(22)30-24)18-6-4-16(5-7-18)13-31-14-17(11-25)15-31/h2-10,12,17H,13-15H2,1H3,(H,26,33)(H,28,30)
InChIKeyWRLBPQBLJSRQMI-UHFFFAOYSA-N
XLogP2.85
TPSA111.24 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.50
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 5-[[8-[4-[(3-cyanoazetidin-1-yl)methyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-methylpyridine-2-carboxamide with MolForge

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Related Compounds

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CID 53230343
7-[5-Methyl-2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-2-[(6-methyl-2-pyridinyl)methyl]-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one
CID 122604256
(R)-3-Methyl-7-(5-methyl-2-((1-methyl-1H-pyrazol-5-yl)amino)pyrimidin-4-yl)-2-((6-methylpyridin-2-yl)methyl)-3,4-dihydropyrrolo[1,2-a]pyrazin-1(2H)-one
CID 122604287
(3S)-3-methyl-7-[5-methyl-2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-2-[(6-methyl-2-pyridinyl)methyl]-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one
CID 122604354
US10774086, Example 2
CID 134551579
(13R)-N-[1-[(4-aminophenyl)methyl]pyrazol-4-yl]-13-methyl-10-oxo-1,3,11-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8-tetraene-4-carboxamide
CID 130338820
3-Methyl-7-[2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-2-[(6-methyl-2-pyridinyl)methyl]-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one
CID 137647232
2-[(3,4-Difluorophenyl)methyl]-7-[5-methyl-2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one
CID 155566604
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CID 156021553

Frequently Asked Questions

What is the IUPAC name of 5-[[8-[4-[(3-cyanoazetidin-1-yl)methyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-methylpyridine-2-carboxamide?
The IUPAC name of 5-[[8-[4-[(3-cyanoazetidin-1-yl)methyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-methylpyridine-2-carboxamide (CID 70929449) is 5-[[8-[4-[(3-cyanoazetidin-1-yl)methyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-methylpyridine-2-carboxamide.
What is the SMILES notation for 5-[[8-[4-[(3-cyanoazetidin-1-yl)methyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-methylpyridine-2-carboxamide?
The canonical SMILES for 5-[[8-[4-[(3-cyanoazetidin-1-yl)methyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-methylpyridine-2-carboxamide is CNC(=O)c1ccc(Nc2nc3c(-c4ccc(CN5CC(C#N)C5)cc4)cccn3n2)cn1.
What is the InChIKey of 5-[[8-[4-[(3-cyanoazetidin-1-yl)methyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-methylpyridine-2-carboxamide?
The InChIKey is WRLBPQBLJSRQMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N8O/c1-26-23(33)21-9-8-19(12-27-21)28-24-29-22-20(3-2-10-32(22)30-24)18-6-4-16(5-7-18)13-31-14-17(11-25)15-31/h2-10,12,17H,13-15H2,1H3,(H,26,33)(H,28,30).
What are the key properties of 5-[[8-[4-[(3-cyanoazetidin-1-yl)methyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-methylpyridine-2-carboxamide?
5-[[8-[4-[(3-cyanoazetidin-1-yl)methyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-methylpyridine-2-carboxamide has a molecular weight of 438.50 g/mol, XLogP of 2.85, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[8-[4-[(3-cyanoazetidin-1-yl)methyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-methylpyridine-2-carboxamide is sourced from PubChem (CID 70929449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).