3-methylsulfonyl-N-[(1R)-1-(1H-1,2,4-triazol-5-yl)propyl]imidazo[1,5-a]pyridine-1-carboxamide

C14H16N6O3S — CID 95775790

IUPAC3-methylsulfonyl-N-[(1R)-1-(1H-1,2,4-triazol-5-yl)propyl]imidazo[1,5-a]pyridine-1-carboxamide
SMILESCC[C@@H](NC(=O)c1nc(S(C)(=O)=O)n2ccccc12)c1ncn[nH]1
InChIInChI=1S/C14H16N6O3S/c1-3-9(12-15-8-16-19-12)17-13(21)11-10-6-4-5-7-20(10)14(18-11)24(2,22)23/h4-9H,3H2,1-2H3,(H,17,21)(H,15,16,19)/t9-/m1/s1
InChIKeySQGMXXFCPRQDGS-SECBINFHSA-N
MW348.39 g/mol
LogP0.74
Rot. Bonds5

About 3-methylsulfonyl-N-[(1R)-1-(1H-1,2,4-triazol-5-yl)propyl]imidazo[1,5-a]pyridine-1-carboxamide

3-methylsulfonyl-N-[(1R)-1-(1H-1,2,4-triazol-5-yl)propyl]imidazo[1,5-a]pyridine-1-carboxamide (PubChem CID 95775790) has the molecular formula C14H16N6O3S and a molecular weight of 348.39 g/mol. Its IUPAC name is 3-methylsulfonyl-N-[(1R)-1-(1H-1,2,4-triazol-5-yl)propyl]imidazo[1,5-a]pyridine-1-carboxamide.

Molecular Properties

Compound Name3-methylsulfonyl-N-[(1R)-1-(1H-1,2,4-triazol-5-yl)propyl]imidazo[1,5-a]pyridine-1-carboxamide
PubChem CID95775790
Molecular FormulaC14H16N6O3S
Molecular Weight348.39 g/mol
Exact Mass348.10
IUPAC Name3-methylsulfonyl-N-[(1R)-1-(1H-1,2,4-triazol-5-yl)propyl]imidazo[1,5-a]pyridine-1-carboxamide
SMILESCC[C@@H](NC(=O)c1nc(S(C)(=O)=O)n2ccccc12)c1ncn[nH]1
InChIInChI=1S/C14H16N6O3S/c1-3-9(12-15-8-16-19-12)17-13(21)11-10-6-4-5-7-20(10)14(18-11)24(2,22)23/h4-9H,3H2,1-2H3,(H,17,21)(H,15,16,19)/t9-/m1/s1
InChIKeySQGMXXFCPRQDGS-SECBINFHSA-N
XLogP0.74
TPSA122.11 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.39
LogP ≤ 50.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

3-methylsulfonyl-N-prop-2-ynylimidazo[1,5-a]pyridine-1-carboxamide
CID 47401298
N-(1-aminohexan-2-yl)-3-methylsulfonylimidazo[1,5-a]pyridine-1-carboxamide;hydrochloride
CID 119667168
N-(1-amino-4-methylpentan-2-yl)-3-methylsulfonylimidazo[1,5-a]pyridine-1-carboxamide;hydrochloride
CID 119587427
N-[2-(methylamino)propyl]-3-methylsulfonylimidazo[1,5-a]pyridine-1-carboxamide
CID 120832749
N-(2-aminoethyl)-3-methylsulfonylimidazo[1,5-a]pyridine-1-carboxamide;hydrochloride
CID 119384120
N-(3-amino-2-methylpropyl)-3-methylsulfonylimidazo[1,5-a]pyridine-1-carboxamide
CID 119995798
N-(3-aminopropyl)-3-methylsulfonylimidazo[1,5-a]pyridine-1-carboxamide;hydrochloride
CID 119407322
N-[3-(methylamino)propyl]-3-methylsulfonylimidazo[1,5-a]pyridine-1-carboxamide;hydrochloride
CID 119432312
3-methylsulfonyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]imidazo[1,5-a]pyridine-1-carboxamide
CID 51094608
N-[2-(benzylamino)-2-oxoethyl]-3-methylsulfonylimidazo[1,5-a]pyridine-1-carboxamide
CID 47783322
2,2,2-trifluoro-1-(3-methylsulfonylimidazo[1,5-a]pyridin-1-yl)ethanone
CID 12617475
N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-3-methylsulfonylimidazo[1,5-a]pyridine-1-carboxamide
CID 60585999

Frequently Asked Questions

What is the IUPAC name of 3-methylsulfonyl-N-[(1R)-1-(1H-1,2,4-triazol-5-yl)propyl]imidazo[1,5-a]pyridine-1-carboxamide?
The IUPAC name of 3-methylsulfonyl-N-[(1R)-1-(1H-1,2,4-triazol-5-yl)propyl]imidazo[1,5-a]pyridine-1-carboxamide (CID 95775790) is 3-methylsulfonyl-N-[(1R)-1-(1H-1,2,4-triazol-5-yl)propyl]imidazo[1,5-a]pyridine-1-carboxamide.
What is the SMILES notation for 3-methylsulfonyl-N-[(1R)-1-(1H-1,2,4-triazol-5-yl)propyl]imidazo[1,5-a]pyridine-1-carboxamide?
The canonical SMILES for 3-methylsulfonyl-N-[(1R)-1-(1H-1,2,4-triazol-5-yl)propyl]imidazo[1,5-a]pyridine-1-carboxamide is CC[C@@H](NC(=O)c1nc(S(C)(=O)=O)n2ccccc12)c1ncn[nH]1.
What is the InChIKey of 3-methylsulfonyl-N-[(1R)-1-(1H-1,2,4-triazol-5-yl)propyl]imidazo[1,5-a]pyridine-1-carboxamide?
The InChIKey is SQGMXXFCPRQDGS-SECBINFHSA-N. The full InChI is InChI=1S/C14H16N6O3S/c1-3-9(12-15-8-16-19-12)17-13(21)11-10-6-4-5-7-20(10)14(18-11)24(2,22)23/h4-9H,3H2,1-2H3,(H,17,21)(H,15,16,19)/t9-/m1/s1.
What are the key properties of 3-methylsulfonyl-N-[(1R)-1-(1H-1,2,4-triazol-5-yl)propyl]imidazo[1,5-a]pyridine-1-carboxamide?
3-methylsulfonyl-N-[(1R)-1-(1H-1,2,4-triazol-5-yl)propyl]imidazo[1,5-a]pyridine-1-carboxamide has a molecular weight of 348.39 g/mol, XLogP of 0.74, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylsulfonyl-N-[(1R)-1-(1H-1,2,4-triazol-5-yl)propyl]imidazo[1,5-a]pyridine-1-carboxamide is sourced from PubChem (CID 95775790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).