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

C18H19F2N6O+ — CID 58023653

IUPAC1-[(4,4-difluoropiperidin-1-ium-1-yl)methyl]-N-pyrimidin-2-ylimidazo[1,5-a]pyridine-3-carboxamide
SMILESO=C(Nc1ncccn1)c1nc(C[NH+]2CCC(F)(F)CC2)c2ccccn12
InChIInChI=1S/C18H18F2N6O/c19-18(20)5-10-25(11-6-18)12-13-14-4-1-2-9-26(14)15(23-13)16(27)24-17-21-7-3-8-22-17/h1-4,7-9H,5-6,10-12H2,(H,21,22,24,27)/p+1
InChIKeyCQMYUVUVNXLJBL-UHFFFAOYSA-O
MW373.39 g/mol
LogP1.19
Rot. Bonds4

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

1-[(4,4-difluoropiperidin-1-ium-1-yl)methyl]-N-pyrimidin-2-ylimidazo[1,5-a]pyridine-3-carboxamide (PubChem CID 58023653) has the molecular formula C18H19F2N6O+ and a molecular weight of 373.39 g/mol. Its IUPAC name is 1-[(4,4-difluoropiperidin-1-ium-1-yl)methyl]-N-pyrimidin-2-ylimidazo[1,5-a]pyridine-3-carboxamide.

Molecular Properties

Compound Name1-[(4,4-difluoropiperidin-1-ium-1-yl)methyl]-N-pyrimidin-2-ylimidazo[1,5-a]pyridine-3-carboxamide
PubChem CID58023653
Molecular FormulaC18H19F2N6O+
Molecular Weight373.39 g/mol
Exact Mass373.16
IUPAC Name1-[(4,4-difluoropiperidin-1-ium-1-yl)methyl]-N-pyrimidin-2-ylimidazo[1,5-a]pyridine-3-carboxamide
SMILESO=C(Nc1ncccn1)c1nc(C[NH+]2CCC(F)(F)CC2)c2ccccn12
InChIInChI=1S/C18H18F2N6O/c19-18(20)5-10-25(11-6-18)12-13-14-4-1-2-9-26(14)15(23-13)16(27)24-17-21-7-3-8-22-17/h1-4,7-9H,5-6,10-12H2,(H,21,22,24,27)/p+1
InChIKeyCQMYUVUVNXLJBL-UHFFFAOYSA-O
XLogP1.19
TPSA76.62 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.39
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(4,4-difluoropiperidin-1-ium-1-yl)methyl]-N-(5-methyl-2-pyridinyl)imidazo[1,5-a]pyridine-3-carboxamide
CID 58023246
1-[(4,4-difluoropiperidin-1-ium-1-yl)methyl]-N-(4,6-dimethyl-2-pyridinyl)imidazo[1,5-a]pyridine-3-carboxamide
CID 58023821
N-(5-chloropyrimidin-2-yl)-1-[(1,1-dioxo-1,4-thiazinan-4-ium-4-yl)methyl]imidazo[1,5-a]pyridine-3-carboxamide
CID 58023394
1-[(1,1-dihydroxy-1,4-thiazinan-4-yl)methyl]-N-pyrimidin-2-ylimidazo[1,5-a]pyridine-3-carboxamide
CID 69006631
1-[(3-hydroxypyrrolidin-1-ium-1-yl)methyl]-N-isoquinolin-5-ylimidazo[1,5-a]pyridine-3-carboxamide
CID 58023813
N-(4-chlorophenyl)-1-[(3-hydroxypyrrolidin-1-ium-1-yl)methyl]imidazo[1,5-a]pyridine-3-carboxamide;2,2,2-trifluoroacetate
CID 162064119
N-(5-chloropyrimidin-2-yl)-1-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]imidazo[1,5-a]pyridine-3-carboxamide
CID 58023395
1-[(3-hydroxypyrrolidin-1-ium-1-yl)methyl]-N-isoquinolin-5-ylimidazo[1,5-a]pyridine-3-carboxamide;2,2,2-trifluoroacetate
CID 161363984
1-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-N-pyridin-2-ylimidazo[1,5-a]pyridine-3-carboxamide
CID 58023852
1-[(cyclobutylamino)methyl]imidazo[1,5-a]pyridine-3-carboxylic acid
CID 115144695
1-chloro-N-(4,4-difluorocyclohexyl)imidazo[1,5-a]pyridine-3-carboxamide
CID 70943935
1-[(1,1-dihydroxy-1,4-thiazinan-4-yl)methyl]-N-(2-methoxy-3-pyridinyl)imidazo[1,5-a]pyridine-3-carboxamide
CID 69006322

Frequently Asked Questions

What is the IUPAC name of 1-[(4,4-difluoropiperidin-1-ium-1-yl)methyl]-N-pyrimidin-2-ylimidazo[1,5-a]pyridine-3-carboxamide?
The IUPAC name of 1-[(4,4-difluoropiperidin-1-ium-1-yl)methyl]-N-pyrimidin-2-ylimidazo[1,5-a]pyridine-3-carboxamide (CID 58023653) is 1-[(4,4-difluoropiperidin-1-ium-1-yl)methyl]-N-pyrimidin-2-ylimidazo[1,5-a]pyridine-3-carboxamide.
What is the SMILES notation for 1-[(4,4-difluoropiperidin-1-ium-1-yl)methyl]-N-pyrimidin-2-ylimidazo[1,5-a]pyridine-3-carboxamide?
The canonical SMILES for 1-[(4,4-difluoropiperidin-1-ium-1-yl)methyl]-N-pyrimidin-2-ylimidazo[1,5-a]pyridine-3-carboxamide is O=C(Nc1ncccn1)c1nc(C[NH+]2CCC(F)(F)CC2)c2ccccn12.
What is the InChIKey of 1-[(4,4-difluoropiperidin-1-ium-1-yl)methyl]-N-pyrimidin-2-ylimidazo[1,5-a]pyridine-3-carboxamide?
The InChIKey is CQMYUVUVNXLJBL-UHFFFAOYSA-O. The full InChI is InChI=1S/C18H18F2N6O/c19-18(20)5-10-25(11-6-18)12-13-14-4-1-2-9-26(14)15(23-13)16(27)24-17-21-7-3-8-22-17/h1-4,7-9H,5-6,10-12H2,(H,21,22,24,27)/p+1.
What are the key properties of 1-[(4,4-difluoropiperidin-1-ium-1-yl)methyl]-N-pyrimidin-2-ylimidazo[1,5-a]pyridine-3-carboxamide?
1-[(4,4-difluoropiperidin-1-ium-1-yl)methyl]-N-pyrimidin-2-ylimidazo[1,5-a]pyridine-3-carboxamide has a molecular weight of 373.39 g/mol, XLogP of 1.19, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4,4-difluoropiperidin-1-ium-1-yl)methyl]-N-pyrimidin-2-ylimidazo[1,5-a]pyridine-3-carboxamide is sourced from PubChem (CID 58023653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).