N-(cyclopropylmethylsulfonyl)imidazo[1,5-a]pyridine-6-carboxamide

C12H13N3O3S — CID 167768598

IUPACN-(cyclopropylmethylsulfonyl)imidazo[1,5-a]pyridine-6-carboxamide
SMILESO=C(NS(=O)(=O)CC1CC1)c1ccc2cncn2c1
InChIInChI=1S/C12H13N3O3S/c16-12(14-19(17,18)7-9-1-2-9)10-3-4-11-5-13-8-15(11)6-10/h3-6,8-9H,1-2,7H2,(H,14,16)
InChIKeyDFZLXRGGZWCQAH-UHFFFAOYSA-N
MW279.32 g/mol
LogP0.80
Rot. Bonds4

About N-(cyclopropylmethylsulfonyl)imidazo[1,5-a]pyridine-6-carboxamide

N-(cyclopropylmethylsulfonyl)imidazo[1,5-a]pyridine-6-carboxamide (PubChem CID 167768598) has the molecular formula C12H13N3O3S and a molecular weight of 279.32 g/mol. Its IUPAC name is N-(cyclopropylmethylsulfonyl)imidazo[1,5-a]pyridine-6-carboxamide.

Molecular Properties

Compound NameN-(cyclopropylmethylsulfonyl)imidazo[1,5-a]pyridine-6-carboxamide
PubChem CID167768598
Molecular FormulaC12H13N3O3S
Molecular Weight279.32 g/mol
Exact Mass279.07
IUPAC NameN-(cyclopropylmethylsulfonyl)imidazo[1,5-a]pyridine-6-carboxamide
SMILESO=C(NS(=O)(=O)CC1CC1)c1ccc2cncn2c1
InChIInChI=1S/C12H13N3O3S/c16-12(14-19(17,18)7-9-1-2-9)10-3-4-11-5-13-8-15(11)6-10/h3-6,8-9H,1-2,7H2,(H,14,16)
InChIKeyDFZLXRGGZWCQAH-UHFFFAOYSA-N
XLogP0.80
TPSA80.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.32
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethylsulfonyl)imidazo[1,5-a]pyridine-6-carboxamide?
The IUPAC name of N-(cyclopropylmethylsulfonyl)imidazo[1,5-a]pyridine-6-carboxamide (CID 167768598) is N-(cyclopropylmethylsulfonyl)imidazo[1,5-a]pyridine-6-carboxamide.
What is the SMILES notation for N-(cyclopropylmethylsulfonyl)imidazo[1,5-a]pyridine-6-carboxamide?
The canonical SMILES for N-(cyclopropylmethylsulfonyl)imidazo[1,5-a]pyridine-6-carboxamide is O=C(NS(=O)(=O)CC1CC1)c1ccc2cncn2c1.
What is the InChIKey of N-(cyclopropylmethylsulfonyl)imidazo[1,5-a]pyridine-6-carboxamide?
The InChIKey is DFZLXRGGZWCQAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O3S/c16-12(14-19(17,18)7-9-1-2-9)10-3-4-11-5-13-8-15(11)6-10/h3-6,8-9H,1-2,7H2,(H,14,16).
What are the key properties of N-(cyclopropylmethylsulfonyl)imidazo[1,5-a]pyridine-6-carboxamide?
N-(cyclopropylmethylsulfonyl)imidazo[1,5-a]pyridine-6-carboxamide has a molecular weight of 279.32 g/mol, XLogP of 0.80, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethylsulfonyl)imidazo[1,5-a]pyridine-6-carboxamide is sourced from PubChem (CID 167768598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).