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

C13H14N6O3S — CID 51094608

IUPAC3-methylsulfonyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]imidazo[1,5-a]pyridine-1-carboxamide
SMILESCn1cnnc1CNC(=O)c1nc(S(C)(=O)=O)n2ccccc12
InChIInChI=1S/C13H14N6O3S/c1-18-8-15-17-10(18)7-14-12(20)11-9-5-3-4-6-19(9)13(16-11)23(2,21)22/h3-6,8H,7H2,1-2H3,(H,14,20)
InChIKeyKKHKLCMSPWDXHP-UHFFFAOYSA-N
MW334.36 g/mol
LogP-0.20
Rot. Bonds4

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

3-methylsulfonyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]imidazo[1,5-a]pyridine-1-carboxamide (PubChem CID 51094608) has the molecular formula C13H14N6O3S and a molecular weight of 334.36 g/mol. Its IUPAC name is 3-methylsulfonyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]imidazo[1,5-a]pyridine-1-carboxamide.

Molecular Properties

Compound Name3-methylsulfonyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]imidazo[1,5-a]pyridine-1-carboxamide
PubChem CID51094608
Molecular FormulaC13H14N6O3S
Molecular Weight334.36 g/mol
Exact Mass334.08
IUPAC Name3-methylsulfonyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]imidazo[1,5-a]pyridine-1-carboxamide
SMILESCn1cnnc1CNC(=O)c1nc(S(C)(=O)=O)n2ccccc12
InChIInChI=1S/C13H14N6O3S/c1-18-8-15-17-10(18)7-14-12(20)11-9-5-3-4-6-19(9)13(16-11)23(2,21)22/h3-6,8H,7H2,1-2H3,(H,14,20)
InChIKeyKKHKLCMSPWDXHP-UHFFFAOYSA-N
XLogP-0.20
TPSA111.25 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.36
LogP ≤ 5-0.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 3-methylsulfonyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]imidazo[1,5-a]pyridine-1-carboxamide?
The IUPAC name of 3-methylsulfonyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]imidazo[1,5-a]pyridine-1-carboxamide (CID 51094608) is 3-methylsulfonyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]imidazo[1,5-a]pyridine-1-carboxamide.
What is the SMILES notation for 3-methylsulfonyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]imidazo[1,5-a]pyridine-1-carboxamide?
The canonical SMILES for 3-methylsulfonyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]imidazo[1,5-a]pyridine-1-carboxamide is Cn1cnnc1CNC(=O)c1nc(S(C)(=O)=O)n2ccccc12.
What is the InChIKey of 3-methylsulfonyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]imidazo[1,5-a]pyridine-1-carboxamide?
The InChIKey is KKHKLCMSPWDXHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N6O3S/c1-18-8-15-17-10(18)7-14-12(20)11-9-5-3-4-6-19(9)13(16-11)23(2,21)22/h3-6,8H,7H2,1-2H3,(H,14,20).
What are the key properties of 3-methylsulfonyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]imidazo[1,5-a]pyridine-1-carboxamide?
3-methylsulfonyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]imidazo[1,5-a]pyridine-1-carboxamide has a molecular weight of 334.36 g/mol, XLogP of -0.20, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylsulfonyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]imidazo[1,5-a]pyridine-1-carboxamide is sourced from PubChem (CID 51094608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).