1-[(4,4-difluoropiperidin-1-ium-1-yl)methyl]-N-(5-methyl-2-pyridinyl)imidazo[1,5-a]pyridine-3-carboxamide

C20H22F2N5O+ — CID 58023246

IUPAC1-[(4,4-difluoropiperidin-1-ium-1-yl)methyl]-N-(5-methyl-2-pyridinyl)imidazo[1,5-a]pyridine-3-carboxamide
SMILESCc1ccc(NC(=O)c2nc(C[NH+]3CCC(F)(F)CC3)c3ccccn23)nc1
InChIInChI=1S/C20H21F2N5O/c1-14-5-6-17(23-12-14)25-19(28)18-24-15(16-4-2-3-9-27(16)18)13-26-10-7-20(21,22)8-11-26/h2-6,9,12H,7-8,10-11,13H2,1H3,(H,23,25,28)/p+1
InChIKeyHGMSEQADYVJLEA-UHFFFAOYSA-O
MW386.43 g/mol
LogP2.10
Rot. Bonds4

About 1-[(4,4-difluoropiperidin-1-ium-1-yl)methyl]-N-(5-methyl-2-pyridinyl)imidazo[1,5-a]pyridine-3-carboxamide

1-[(4,4-difluoropiperidin-1-ium-1-yl)methyl]-N-(5-methyl-2-pyridinyl)imidazo[1,5-a]pyridine-3-carboxamide (PubChem CID 58023246) has the molecular formula C20H22F2N5O+ and a molecular weight of 386.43 g/mol. Its IUPAC name is 1-[(4,4-difluoropiperidin-1-ium-1-yl)methyl]-N-(5-methyl-2-pyridinyl)imidazo[1,5-a]pyridine-3-carboxamide.

Molecular Properties

Compound Name1-[(4,4-difluoropiperidin-1-ium-1-yl)methyl]-N-(5-methyl-2-pyridinyl)imidazo[1,5-a]pyridine-3-carboxamide
PubChem CID58023246
Molecular FormulaC20H22F2N5O+
Molecular Weight386.43 g/mol
Exact Mass386.18
IUPAC Name1-[(4,4-difluoropiperidin-1-ium-1-yl)methyl]-N-(5-methyl-2-pyridinyl)imidazo[1,5-a]pyridine-3-carboxamide
SMILESCc1ccc(NC(=O)c2nc(C[NH+]3CCC(F)(F)CC3)c3ccccn23)nc1
InChIInChI=1S/C20H21F2N5O/c1-14-5-6-17(23-12-14)25-19(28)18-24-15(16-4-2-3-9-27(16)18)13-26-10-7-20(21,22)8-11-26/h2-6,9,12H,7-8,10-11,13H2,1H3,(H,23,25,28)/p+1
InChIKeyHGMSEQADYVJLEA-UHFFFAOYSA-O
XLogP2.10
TPSA63.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.43
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(4,4-difluoropiperidin-1-ium-1-yl)methyl]-N-(5-methyl-2-pyridinyl)imidazo[1,5-a]pyridine-3-carboxamide?
The IUPAC name of 1-[(4,4-difluoropiperidin-1-ium-1-yl)methyl]-N-(5-methyl-2-pyridinyl)imidazo[1,5-a]pyridine-3-carboxamide (CID 58023246) is 1-[(4,4-difluoropiperidin-1-ium-1-yl)methyl]-N-(5-methyl-2-pyridinyl)imidazo[1,5-a]pyridine-3-carboxamide.
What is the SMILES notation for 1-[(4,4-difluoropiperidin-1-ium-1-yl)methyl]-N-(5-methyl-2-pyridinyl)imidazo[1,5-a]pyridine-3-carboxamide?
The canonical SMILES for 1-[(4,4-difluoropiperidin-1-ium-1-yl)methyl]-N-(5-methyl-2-pyridinyl)imidazo[1,5-a]pyridine-3-carboxamide is Cc1ccc(NC(=O)c2nc(C[NH+]3CCC(F)(F)CC3)c3ccccn23)nc1.
What is the InChIKey of 1-[(4,4-difluoropiperidin-1-ium-1-yl)methyl]-N-(5-methyl-2-pyridinyl)imidazo[1,5-a]pyridine-3-carboxamide?
The InChIKey is HGMSEQADYVJLEA-UHFFFAOYSA-O. The full InChI is InChI=1S/C20H21F2N5O/c1-14-5-6-17(23-12-14)25-19(28)18-24-15(16-4-2-3-9-27(16)18)13-26-10-7-20(21,22)8-11-26/h2-6,9,12H,7-8,10-11,13H2,1H3,(H,23,25,28)/p+1.
What are the key properties of 1-[(4,4-difluoropiperidin-1-ium-1-yl)methyl]-N-(5-methyl-2-pyridinyl)imidazo[1,5-a]pyridine-3-carboxamide?
1-[(4,4-difluoropiperidin-1-ium-1-yl)methyl]-N-(5-methyl-2-pyridinyl)imidazo[1,5-a]pyridine-3-carboxamide has a molecular weight of 386.43 g/mol, XLogP of 2.10, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4,4-difluoropiperidin-1-ium-1-yl)methyl]-N-(5-methyl-2-pyridinyl)imidazo[1,5-a]pyridine-3-carboxamide is sourced from PubChem (CID 58023246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).