3-(4-methylsulfonylpiperidine-1-carbonyl)-N-(2,2,2-trifluoro-1-pyridin-2-ylethyl)imidazo[1,5-a]pyridine-1-carboxamide

C22H22F3N5O4S — CID 57436286

IUPAC3-(4-methylsulfonylpiperidine-1-carbonyl)-N-(2,2,2-trifluoro-1-pyridin-2-ylethyl)imidazo[1,5-a]pyridine-1-carboxamide
SMILESCS(=O)(=O)C1CCN(C(=O)c2nc(C(=O)NC(c3ccccn3)C(F)(F)F)c3ccccn23)CC1
InChIInChI=1S/C22H22F3N5O4S/c1-35(33,34)14-8-12-29(13-9-14)21(32)19-27-17(16-7-3-5-11-30(16)19)20(31)28-18(22(23,24)25)15-6-2-4-10-26-15/h2-7,10-11,14,18H,8-9,12-13H2,1H3,(H,28,31)
InChIKeyFRSIEYDFROMBCD-UHFFFAOYSA-N
MW509.51 g/mol
LogP2.41
Rot. Bonds5

About 3-(4-methylsulfonylpiperidine-1-carbonyl)-N-(2,2,2-trifluoro-1-pyridin-2-ylethyl)imidazo[1,5-a]pyridine-1-carboxamide

3-(4-methylsulfonylpiperidine-1-carbonyl)-N-(2,2,2-trifluoro-1-pyridin-2-ylethyl)imidazo[1,5-a]pyridine-1-carboxamide (PubChem CID 57436286) has the molecular formula C22H22F3N5O4S and a molecular weight of 509.51 g/mol. Its IUPAC name is 3-(4-methylsulfonylpiperidine-1-carbonyl)-N-(2,2,2-trifluoro-1-pyridin-2-ylethyl)imidazo[1,5-a]pyridine-1-carboxamide.

Molecular Properties

Compound Name3-(4-methylsulfonylpiperidine-1-carbonyl)-N-(2,2,2-trifluoro-1-pyridin-2-ylethyl)imidazo[1,5-a]pyridine-1-carboxamide
PubChem CID57436286
Molecular FormulaC22H22F3N5O4S
Molecular Weight509.51 g/mol
Exact Mass509.13
IUPAC Name3-(4-methylsulfonylpiperidine-1-carbonyl)-N-(2,2,2-trifluoro-1-pyridin-2-ylethyl)imidazo[1,5-a]pyridine-1-carboxamide
SMILESCS(=O)(=O)C1CCN(C(=O)c2nc(C(=O)NC(c3ccccn3)C(F)(F)F)c3ccccn23)CC1
InChIInChI=1S/C22H22F3N5O4S/c1-35(33,34)14-8-12-29(13-9-14)21(32)19-27-17(16-7-3-5-11-30(16)19)20(31)28-18(22(23,24)25)15-6-2-4-10-26-15/h2-7,10-11,14,18H,8-9,12-13H2,1H3,(H,28,31)
InChIKeyFRSIEYDFROMBCD-UHFFFAOYSA-N
XLogP2.41
TPSA113.74 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500509.51
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-(4-methylsulfonylpiperidine-1-carbonyl)-N-(2,2,2-trifluoro-1-pyridin-2-ylethyl)imidazo[1,5-a]pyridine-1-carboxamide?
The IUPAC name of 3-(4-methylsulfonylpiperidine-1-carbonyl)-N-(2,2,2-trifluoro-1-pyridin-2-ylethyl)imidazo[1,5-a]pyridine-1-carboxamide (CID 57436286) is 3-(4-methylsulfonylpiperidine-1-carbonyl)-N-(2,2,2-trifluoro-1-pyridin-2-ylethyl)imidazo[1,5-a]pyridine-1-carboxamide.
What is the SMILES notation for 3-(4-methylsulfonylpiperidine-1-carbonyl)-N-(2,2,2-trifluoro-1-pyridin-2-ylethyl)imidazo[1,5-a]pyridine-1-carboxamide?
The canonical SMILES for 3-(4-methylsulfonylpiperidine-1-carbonyl)-N-(2,2,2-trifluoro-1-pyridin-2-ylethyl)imidazo[1,5-a]pyridine-1-carboxamide is CS(=O)(=O)C1CCN(C(=O)c2nc(C(=O)NC(c3ccccn3)C(F)(F)F)c3ccccn23)CC1.
What is the InChIKey of 3-(4-methylsulfonylpiperidine-1-carbonyl)-N-(2,2,2-trifluoro-1-pyridin-2-ylethyl)imidazo[1,5-a]pyridine-1-carboxamide?
The InChIKey is FRSIEYDFROMBCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22F3N5O4S/c1-35(33,34)14-8-12-29(13-9-14)21(32)19-27-17(16-7-3-5-11-30(16)19)20(31)28-18(22(23,24)25)15-6-2-4-10-26-15/h2-7,10-11,14,18H,8-9,12-13H2,1H3,(H,28,31).
What are the key properties of 3-(4-methylsulfonylpiperidine-1-carbonyl)-N-(2,2,2-trifluoro-1-pyridin-2-ylethyl)imidazo[1,5-a]pyridine-1-carboxamide?
3-(4-methylsulfonylpiperidine-1-carbonyl)-N-(2,2,2-trifluoro-1-pyridin-2-ylethyl)imidazo[1,5-a]pyridine-1-carboxamide has a molecular weight of 509.51 g/mol, XLogP of 2.41, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylsulfonylpiperidine-1-carbonyl)-N-(2,2,2-trifluoro-1-pyridin-2-ylethyl)imidazo[1,5-a]pyridine-1-carboxamide is sourced from PubChem (CID 57436286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).