N-[2-(6-chloro-1H-benzimidazol-2-yl)ethyl]-3-cyclopropyl-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide

C19H17ClN6O — CID 46938341

IUPACN-[2-(6-chloro-1H-benzimidazol-2-yl)ethyl]-3-cyclopropyl-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide
SMILESO=C(NCCc1nc2ccc(Cl)cc2[nH]1)c1cccn2c(C3CC3)nnc12
InChIInChI=1S/C19H17ClN6O/c20-12-5-6-14-15(10-12)23-16(22-14)7-8-21-19(27)13-2-1-9-26-17(11-3-4-11)24-25-18(13)26/h1-2,5-6,9-11H,3-4,7-8H2,(H,21,27)(H,22,23)
InChIKeyUBXDBZLHNNEQQW-UHFFFAOYSA-N
MW380.84 g/mol
LogP3.11
Rot. Bonds5

About N-[2-(6-chloro-1H-benzimidazol-2-yl)ethyl]-3-cyclopropyl-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide

N-[2-(6-chloro-1H-benzimidazol-2-yl)ethyl]-3-cyclopropyl-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide (PubChem CID 46938341) has the molecular formula C19H17ClN6O and a molecular weight of 380.84 g/mol. Its IUPAC name is N-[2-(6-chloro-1H-benzimidazol-2-yl)ethyl]-3-cyclopropyl-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide.

Molecular Properties

Compound NameN-[2-(6-chloro-1H-benzimidazol-2-yl)ethyl]-3-cyclopropyl-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide
PubChem CID46938341
Molecular FormulaC19H17ClN6O
Molecular Weight380.84 g/mol
Exact Mass380.12
IUPAC NameN-[2-(6-chloro-1H-benzimidazol-2-yl)ethyl]-3-cyclopropyl-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide
SMILESO=C(NCCc1nc2ccc(Cl)cc2[nH]1)c1cccn2c(C3CC3)nnc12
InChIInChI=1S/C19H17ClN6O/c20-12-5-6-14-15(10-12)23-16(22-14)7-8-21-19(27)13-2-1-9-26-17(11-3-4-11)24-25-18(13)26/h1-2,5-6,9-11H,3-4,7-8H2,(H,21,27)(H,22,23)
InChIKeyUBXDBZLHNNEQQW-UHFFFAOYSA-N
XLogP3.11
TPSA87.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.84
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[2-chloro-4-[[6-cyclopropyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]-(2,2-dimethylpiperazin-1-yl)methanone
CID 56675928
2-(6-Chloro-1-Methyl-1h-Indazol-3-Yl)-N-(Propan-2-Yl)-5h-Pyrrolo[2,3-B]pyrazine-7-Carboxamide
CID 71279939
4-amino-N-[3-[[(4-chlorophenyl)carbamoylamino]methyl]phenyl]pyrrolo[2,1-f][1,2,4]triazine-5-carboxamide
CID 44518504
2-(6-chloro-1-methylindazol-3-yl)-N-[(1R)-2-(3-cyanoazetidin-1-yl)-1-cyclopropyl-2-oxoethyl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
CID 71288512
N-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide
CID 165414967
1-[7-(3-Chloro-phenylamino)-3-methyl-1H-pyrrolo[2,3-c]pyridin-4-yl]-1-pyrrolidin-1-yl-methanone
CID 44475667
4-amino-N-[3-[[(3-chlorophenyl)carbamoylamino]methyl]phenyl]pyrrolo[2,1-f][1,2,4]triazine-5-carboxamide
CID 44518365
N-[2-(1H-benzimidazol-2-yl)ethyl]-6-bromo-2-cyclopropyl-[1,2,4]triazolo[1,5-a]pyridine-8-carboxamide
CID 46937608
N-tert-butyl-2-(6-chloro-1-methyl-1H-indazol-3-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
CID 71279444
2-(5-chloroindazol-1-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxylic acid [(R)-2-(3-cyano-azetidin-1-yl)-1-methyl-2-oxo-ethyl]-amide
CID 71288707
2-chloro-N-[(2R)-2-(5,6-dimethyl-1H-benzimidazol-2-yl)-2-pyridin-3-ylethyl]-4-(1,2,4-triazol-4-yl)benzamide
CID 121399295
N-[(7-chloroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]-3-(difluoromethyl)pyrazole-4-carboxamide
CID 139487336

Frequently Asked Questions

What is the IUPAC name of N-[2-(6-chloro-1H-benzimidazol-2-yl)ethyl]-3-cyclopropyl-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide?
The IUPAC name of N-[2-(6-chloro-1H-benzimidazol-2-yl)ethyl]-3-cyclopropyl-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide (CID 46938341) is N-[2-(6-chloro-1H-benzimidazol-2-yl)ethyl]-3-cyclopropyl-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide.
What is the SMILES notation for N-[2-(6-chloro-1H-benzimidazol-2-yl)ethyl]-3-cyclopropyl-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide?
The canonical SMILES for N-[2-(6-chloro-1H-benzimidazol-2-yl)ethyl]-3-cyclopropyl-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide is O=C(NCCc1nc2ccc(Cl)cc2[nH]1)c1cccn2c(C3CC3)nnc12.
What is the InChIKey of N-[2-(6-chloro-1H-benzimidazol-2-yl)ethyl]-3-cyclopropyl-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide?
The InChIKey is UBXDBZLHNNEQQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClN6O/c20-12-5-6-14-15(10-12)23-16(22-14)7-8-21-19(27)13-2-1-9-26-17(11-3-4-11)24-25-18(13)26/h1-2,5-6,9-11H,3-4,7-8H2,(H,21,27)(H,22,23).
What are the key properties of N-[2-(6-chloro-1H-benzimidazol-2-yl)ethyl]-3-cyclopropyl-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide?
N-[2-(6-chloro-1H-benzimidazol-2-yl)ethyl]-3-cyclopropyl-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide has a molecular weight of 380.84 g/mol, XLogP of 3.11, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(6-chloro-1H-benzimidazol-2-yl)ethyl]-3-cyclopropyl-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide is sourced from PubChem (CID 46938341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).