N-(cyclopropylmethyl)-3-(1-methylsulfonylpiperidin-3-yl)imidazo[1,5-a]pyridine-1-carboxamide

C18H24N4O3S — CID 131673565

IUPACN-(cyclopropylmethyl)-3-(1-methylsulfonylpiperidin-3-yl)imidazo[1,5-a]pyridine-1-carboxamide
SMILESCS(=O)(=O)N1CCCC(c2nc(C(=O)NCC3CC3)c3ccccn23)C1
InChIInChI=1S/C18H24N4O3S/c1-26(24,25)21-9-4-5-14(12-21)17-20-16(15-6-2-3-10-22(15)17)18(23)19-11-13-7-8-13/h2-3,6,10,13-14H,4-5,7-9,11-12H2,1H3,(H,19,23)
InChIKeyFYAAWOOHWKOPJO-UHFFFAOYSA-N
MW376.48 g/mol
LogP1.61
Rot. Bonds5

About N-(cyclopropylmethyl)-3-(1-methylsulfonylpiperidin-3-yl)imidazo[1,5-a]pyridine-1-carboxamide

N-(cyclopropylmethyl)-3-(1-methylsulfonylpiperidin-3-yl)imidazo[1,5-a]pyridine-1-carboxamide (PubChem CID 131673565) has the molecular formula C18H24N4O3S and a molecular weight of 376.48 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-3-(1-methylsulfonylpiperidin-3-yl)imidazo[1,5-a]pyridine-1-carboxamide.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-3-(1-methylsulfonylpiperidin-3-yl)imidazo[1,5-a]pyridine-1-carboxamide
PubChem CID131673565
Molecular FormulaC18H24N4O3S
Molecular Weight376.48 g/mol
Exact Mass376.16
IUPAC NameN-(cyclopropylmethyl)-3-(1-methylsulfonylpiperidin-3-yl)imidazo[1,5-a]pyridine-1-carboxamide
SMILESCS(=O)(=O)N1CCCC(c2nc(C(=O)NCC3CC3)c3ccccn23)C1
InChIInChI=1S/C18H24N4O3S/c1-26(24,25)21-9-4-5-14(12-21)17-20-16(15-6-2-3-10-22(15)17)18(23)19-11-13-7-8-13/h2-3,6,10,13-14H,4-5,7-9,11-12H2,1H3,(H,19,23)
InChIKeyFYAAWOOHWKOPJO-UHFFFAOYSA-N
XLogP1.61
TPSA83.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.48
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-3-(1-methylsulfonylpiperidin-3-yl)imidazo[1,5-a]pyridine-1-carboxamide?
The IUPAC name of N-(cyclopropylmethyl)-3-(1-methylsulfonylpiperidin-3-yl)imidazo[1,5-a]pyridine-1-carboxamide (CID 131673565) is N-(cyclopropylmethyl)-3-(1-methylsulfonylpiperidin-3-yl)imidazo[1,5-a]pyridine-1-carboxamide.
What is the SMILES notation for N-(cyclopropylmethyl)-3-(1-methylsulfonylpiperidin-3-yl)imidazo[1,5-a]pyridine-1-carboxamide?
The canonical SMILES for N-(cyclopropylmethyl)-3-(1-methylsulfonylpiperidin-3-yl)imidazo[1,5-a]pyridine-1-carboxamide is CS(=O)(=O)N1CCCC(c2nc(C(=O)NCC3CC3)c3ccccn23)C1.
What is the InChIKey of N-(cyclopropylmethyl)-3-(1-methylsulfonylpiperidin-3-yl)imidazo[1,5-a]pyridine-1-carboxamide?
The InChIKey is FYAAWOOHWKOPJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O3S/c1-26(24,25)21-9-4-5-14(12-21)17-20-16(15-6-2-3-10-22(15)17)18(23)19-11-13-7-8-13/h2-3,6,10,13-14H,4-5,7-9,11-12H2,1H3,(H,19,23).
What are the key properties of N-(cyclopropylmethyl)-3-(1-methylsulfonylpiperidin-3-yl)imidazo[1,5-a]pyridine-1-carboxamide?
N-(cyclopropylmethyl)-3-(1-methylsulfonylpiperidin-3-yl)imidazo[1,5-a]pyridine-1-carboxamide has a molecular weight of 376.48 g/mol, XLogP of 1.61, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-3-(1-methylsulfonylpiperidin-3-yl)imidazo[1,5-a]pyridine-1-carboxamide is sourced from PubChem (CID 131673565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).