3-methylsulfonyl-N-prop-2-ynylimidazo[1,5-a]pyridine-1-carboxamide

C12H11N3O3S — CID 47401298

IUPAC3-methylsulfonyl-N-prop-2-ynylimidazo[1,5-a]pyridine-1-carboxamide
SMILESC#CCNC(=O)c1nc(S(C)(=O)=O)n2ccccc12
InChIInChI=1S/C12H11N3O3S/c1-3-7-13-11(16)10-9-6-4-5-8-15(9)12(14-10)19(2,17)18/h1,4-6,8H,7H2,2H3,(H,13,16)
InChIKeyXMBTUCHMIUNXNO-UHFFFAOYSA-N
MW277.31 g/mol
LogP0.10
Rot. Bonds3

About 3-methylsulfonyl-N-prop-2-ynylimidazo[1,5-a]pyridine-1-carboxamide

3-methylsulfonyl-N-prop-2-ynylimidazo[1,5-a]pyridine-1-carboxamide (PubChem CID 47401298) has the molecular formula C12H11N3O3S and a molecular weight of 277.31 g/mol. Its IUPAC name is 3-methylsulfonyl-N-prop-2-ynylimidazo[1,5-a]pyridine-1-carboxamide.

Molecular Properties

Compound Name3-methylsulfonyl-N-prop-2-ynylimidazo[1,5-a]pyridine-1-carboxamide
PubChem CID47401298
Molecular FormulaC12H11N3O3S
Molecular Weight277.31 g/mol
Exact Mass277.05
IUPAC Name3-methylsulfonyl-N-prop-2-ynylimidazo[1,5-a]pyridine-1-carboxamide
SMILESC#CCNC(=O)c1nc(S(C)(=O)=O)n2ccccc12
InChIInChI=1S/C12H11N3O3S/c1-3-7-13-11(16)10-9-6-4-5-8-15(9)12(14-10)19(2,17)18/h1,4-6,8H,7H2,2H3,(H,13,16)
InChIKeyXMBTUCHMIUNXNO-UHFFFAOYSA-N
XLogP0.10
TPSA80.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.31
LogP ≤ 50.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

N-(2-aminoethyl)-3-methylsulfonylimidazo[1,5-a]pyridine-1-carboxamide;hydrochloride
CID 119384120
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
N-[2-(methylamino)propyl]-3-methylsulfonylimidazo[1,5-a]pyridine-1-carboxamide
CID 120832749
N-(3-amino-2-methylpropyl)-3-methylsulfonylimidazo[1,5-a]pyridine-1-carboxamide
CID 119995798
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
N-[(5-methyl-1,2-oxazol-3-yl)methyl]-3-methylsulfonylimidazo[1,5-a]pyridine-1-carboxamide
CID 51094701
2,2,2-trifluoro-1-(3-methylsulfonylimidazo[1,5-a]pyridin-1-yl)ethanone
CID 12617475
3-methylsulfonyl-N-[(1R)-1-(1H-1,2,4-triazol-5-yl)propyl]imidazo[1,5-a]pyridine-1-carboxamide
CID 95775790
N-(1-amino-4-methylpentan-2-yl)-3-methylsulfonylimidazo[1,5-a]pyridine-1-carboxamide;hydrochloride
CID 119587427
N-(4-aminocyclohexyl)-3-methylsulfonylimidazo[1,5-a]pyridine-1-carboxamide;hydrochloride
CID 119477193

Frequently Asked Questions

What is the IUPAC name of 3-methylsulfonyl-N-prop-2-ynylimidazo[1,5-a]pyridine-1-carboxamide?
The IUPAC name of 3-methylsulfonyl-N-prop-2-ynylimidazo[1,5-a]pyridine-1-carboxamide (CID 47401298) is 3-methylsulfonyl-N-prop-2-ynylimidazo[1,5-a]pyridine-1-carboxamide.
What is the SMILES notation for 3-methylsulfonyl-N-prop-2-ynylimidazo[1,5-a]pyridine-1-carboxamide?
The canonical SMILES for 3-methylsulfonyl-N-prop-2-ynylimidazo[1,5-a]pyridine-1-carboxamide is C#CCNC(=O)c1nc(S(C)(=O)=O)n2ccccc12.
What is the InChIKey of 3-methylsulfonyl-N-prop-2-ynylimidazo[1,5-a]pyridine-1-carboxamide?
The InChIKey is XMBTUCHMIUNXNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N3O3S/c1-3-7-13-11(16)10-9-6-4-5-8-15(9)12(14-10)19(2,17)18/h1,4-6,8H,7H2,2H3,(H,13,16).
What are the key properties of 3-methylsulfonyl-N-prop-2-ynylimidazo[1,5-a]pyridine-1-carboxamide?
3-methylsulfonyl-N-prop-2-ynylimidazo[1,5-a]pyridine-1-carboxamide has a molecular weight of 277.31 g/mol, XLogP of 0.10, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylsulfonyl-N-prop-2-ynylimidazo[1,5-a]pyridine-1-carboxamide is sourced from PubChem (CID 47401298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).