6-methyl-N-[4-[2-(2-methyl-1,2,4-triazol-3-yl)ethylcarbamoyl]cyclohexyl]pyrazolo[1,5-a]pyridine-3-carboxamide

C21H27N7O2 — CID 169420836

IUPAC6-methyl-N-[4-[2-(2-methyl-1,2,4-triazol-3-yl)ethylcarbamoyl]cyclohexyl]pyrazolo[1,5-a]pyridine-3-carboxamide
SMILESCc1ccc2c(C(=O)NC3CCC(C(=O)NCCc4ncnn4C)CC3)cnn2c1
InChIInChI=1S/C21H27N7O2/c1-14-3-8-18-17(11-24-28(18)12-14)21(30)26-16-6-4-15(5-7-16)20(29)22-10-9-19-23-13-25-27(19)2/h3,8,11-13,15-16H,4-7,9-10H2,1-2H3,(H,22,29)(H,26,30)
InChIKeyUKZZOTQPSWXNRP-UHFFFAOYSA-N
MW409.49 g/mol
LogP1.42
Rot. Bonds6

About 6-methyl-N-[4-[2-(2-methyl-1,2,4-triazol-3-yl)ethylcarbamoyl]cyclohexyl]pyrazolo[1,5-a]pyridine-3-carboxamide

6-methyl-N-[4-[2-(2-methyl-1,2,4-triazol-3-yl)ethylcarbamoyl]cyclohexyl]pyrazolo[1,5-a]pyridine-3-carboxamide (PubChem CID 169420836) has the molecular formula C21H27N7O2 and a molecular weight of 409.49 g/mol. Its IUPAC name is 6-methyl-N-[4-[2-(2-methyl-1,2,4-triazol-3-yl)ethylcarbamoyl]cyclohexyl]pyrazolo[1,5-a]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-methyl-N-[4-[2-(2-methyl-1,2,4-triazol-3-yl)ethylcarbamoyl]cyclohexyl]pyrazolo[1,5-a]pyridine-3-carboxamide
PubChem CID169420836
Molecular FormulaC21H27N7O2
Molecular Weight409.49 g/mol
Exact Mass409.22
IUPAC Name6-methyl-N-[4-[2-(2-methyl-1,2,4-triazol-3-yl)ethylcarbamoyl]cyclohexyl]pyrazolo[1,5-a]pyridine-3-carboxamide
SMILESCc1ccc2c(C(=O)NC3CCC(C(=O)NCCc4ncnn4C)CC3)cnn2c1
InChIInChI=1S/C21H27N7O2/c1-14-3-8-18-17(11-24-28(18)12-14)21(30)26-16-6-4-15(5-7-16)20(29)22-10-9-19-23-13-25-27(19)2/h3,8,11-13,15-16H,4-7,9-10H2,1-2H3,(H,22,29)(H,26,30)
InChIKeyUKZZOTQPSWXNRP-UHFFFAOYSA-N
XLogP1.42
TPSA106.21 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.49
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

4-fluoro-3-methyl-N-[4-[2-(2-methyl-1,2,4-triazol-3-yl)ethylcarbamoyl]cyclohexyl]benzamide
CID 169412050
(1S,3R,4R)-3-(tert-butylcarbamoylamino)-4-methoxy-N-[2-(2-methyl-1,2,4-triazol-3-yl)ethyl]cyclohexane-1-carboxamide;formic acid
CID 163340443
N-[(3S,4R)-4-methoxypiperidin-3-yl]-6-methylpyrazolo[1,5-a]pyridine-3-carboxamide
CID 137344084
4-[(1,5-dimethylpyrazole-4-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 60807901
N-[(3R,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-6-methylpyrazolo[1,5-a]pyridine-3-carboxamide
CID 156583849
N-[4-[2-(1-methylpyrazol-4-yl)ethylcarbamoyl]cyclohexyl]oxolane-2-carboxamide
CID 169418153
1-methyl-N-[4-(2-pyridin-4-ylethylcarbamoyl)cyclohexyl]imidazole-2-carboxamide
CID 169420316
1-methyl-N-[4-(2-pyrazin-2-ylethylcarbamoyl)cyclohexyl]pyrrole-2-carboxamide
CID 169414482
1-(2-fluoro-5-methylphenyl)-3-[2-(2-methyl-1,2,4-triazol-3-yl)ethyl]urea
CID 72926635
N-[2-[1-methyl-5-[[2-(4-methylphenoxy)acetyl]amino]benzimidazol-2-yl]ethyl]cyclopropanecarboxamide
CID 46270460
N-[(1R,2R,5S)-5-(2-hydroxyethylcarbamoyl)-2-methoxycyclohexyl]-6-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;hydrochloride
CID 155972572
(2S,3R)-N-[2-(2-methyl-1,2,4-triazol-3-yl)ethyl]-5-oxo-3-pyridin-3-ylmorpholine-2-carboxamide
CID 134697154

Frequently Asked Questions

What is the IUPAC name of 6-methyl-N-[4-[2-(2-methyl-1,2,4-triazol-3-yl)ethylcarbamoyl]cyclohexyl]pyrazolo[1,5-a]pyridine-3-carboxamide?
The IUPAC name of 6-methyl-N-[4-[2-(2-methyl-1,2,4-triazol-3-yl)ethylcarbamoyl]cyclohexyl]pyrazolo[1,5-a]pyridine-3-carboxamide (CID 169420836) is 6-methyl-N-[4-[2-(2-methyl-1,2,4-triazol-3-yl)ethylcarbamoyl]cyclohexyl]pyrazolo[1,5-a]pyridine-3-carboxamide.
What is the SMILES notation for 6-methyl-N-[4-[2-(2-methyl-1,2,4-triazol-3-yl)ethylcarbamoyl]cyclohexyl]pyrazolo[1,5-a]pyridine-3-carboxamide?
The canonical SMILES for 6-methyl-N-[4-[2-(2-methyl-1,2,4-triazol-3-yl)ethylcarbamoyl]cyclohexyl]pyrazolo[1,5-a]pyridine-3-carboxamide is Cc1ccc2c(C(=O)NC3CCC(C(=O)NCCc4ncnn4C)CC3)cnn2c1.
What is the InChIKey of 6-methyl-N-[4-[2-(2-methyl-1,2,4-triazol-3-yl)ethylcarbamoyl]cyclohexyl]pyrazolo[1,5-a]pyridine-3-carboxamide?
The InChIKey is UKZZOTQPSWXNRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N7O2/c1-14-3-8-18-17(11-24-28(18)12-14)21(30)26-16-6-4-15(5-7-16)20(29)22-10-9-19-23-13-25-27(19)2/h3,8,11-13,15-16H,4-7,9-10H2,1-2H3,(H,22,29)(H,26,30).
What are the key properties of 6-methyl-N-[4-[2-(2-methyl-1,2,4-triazol-3-yl)ethylcarbamoyl]cyclohexyl]pyrazolo[1,5-a]pyridine-3-carboxamide?
6-methyl-N-[4-[2-(2-methyl-1,2,4-triazol-3-yl)ethylcarbamoyl]cyclohexyl]pyrazolo[1,5-a]pyridine-3-carboxamide has a molecular weight of 409.49 g/mol, XLogP of 1.42, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-N-[4-[2-(2-methyl-1,2,4-triazol-3-yl)ethylcarbamoyl]cyclohexyl]pyrazolo[1,5-a]pyridine-3-carboxamide is sourced from PubChem (CID 169420836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).