1-[(4,4-difluoropiperidin-1-yl)methyl]-N-[6-(trifluoromethyl)-2-pyridinyl]imidazo[1,5-a]pyridine-3-carboxamide

C20H18F5N5O — CID 54585087

IUPAC1-[(4,4-difluoropiperidin-1-yl)methyl]-N-[6-(trifluoromethyl)-2-pyridinyl]imidazo[1,5-a]pyridine-3-carboxamide
SMILESO=C(Nc1cccc(C(F)(F)F)n1)c1nc(CN2CCC(F)(F)CC2)c2ccccn12
InChIInChI=1S/C20H18F5N5O/c21-19(22)7-10-29(11-8-19)12-13-14-4-1-2-9-30(14)17(26-13)18(31)28-16-6-3-5-15(27-16)20(23,24)25/h1-6,9H,7-8,10-12H2,(H,27,28,31)
InChIKeyJOMBGLWLVGEFQD-UHFFFAOYSA-N
MW439.39 g/mol
LogP4.23
Rot. Bonds4

About 1-[(4,4-difluoropiperidin-1-yl)methyl]-N-[6-(trifluoromethyl)-2-pyridinyl]imidazo[1,5-a]pyridine-3-carboxamide

1-[(4,4-difluoropiperidin-1-yl)methyl]-N-[6-(trifluoromethyl)-2-pyridinyl]imidazo[1,5-a]pyridine-3-carboxamide (PubChem CID 54585087) has the molecular formula C20H18F5N5O and a molecular weight of 439.39 g/mol. Its IUPAC name is 1-[(4,4-difluoropiperidin-1-yl)methyl]-N-[6-(trifluoromethyl)-2-pyridinyl]imidazo[1,5-a]pyridine-3-carboxamide.

Molecular Properties

Compound Name1-[(4,4-difluoropiperidin-1-yl)methyl]-N-[6-(trifluoromethyl)-2-pyridinyl]imidazo[1,5-a]pyridine-3-carboxamide
PubChem CID54585087
Molecular FormulaC20H18F5N5O
Molecular Weight439.39 g/mol
Exact Mass439.14
IUPAC Name1-[(4,4-difluoropiperidin-1-yl)methyl]-N-[6-(trifluoromethyl)-2-pyridinyl]imidazo[1,5-a]pyridine-3-carboxamide
SMILESO=C(Nc1cccc(C(F)(F)F)n1)c1nc(CN2CCC(F)(F)CC2)c2ccccn12
InChIInChI=1S/C20H18F5N5O/c21-19(22)7-10-29(11-8-19)12-13-14-4-1-2-9-30(14)17(26-13)18(31)28-16-6-3-5-15(27-16)20(23,24)25/h1-6,9H,7-8,10-12H2,(H,27,28,31)
InChIKeyJOMBGLWLVGEFQD-UHFFFAOYSA-N
XLogP4.23
TPSA62.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.39
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[(4,4-difluoropiperidin-1-yl)methyl]-N-[6-(trifluoromethyl)-2-pyridinyl]imidazo[1,5-a]pyridine-3-carboxamide?
The IUPAC name of 1-[(4,4-difluoropiperidin-1-yl)methyl]-N-[6-(trifluoromethyl)-2-pyridinyl]imidazo[1,5-a]pyridine-3-carboxamide (CID 54585087) is 1-[(4,4-difluoropiperidin-1-yl)methyl]-N-[6-(trifluoromethyl)-2-pyridinyl]imidazo[1,5-a]pyridine-3-carboxamide.
What is the SMILES notation for 1-[(4,4-difluoropiperidin-1-yl)methyl]-N-[6-(trifluoromethyl)-2-pyridinyl]imidazo[1,5-a]pyridine-3-carboxamide?
The canonical SMILES for 1-[(4,4-difluoropiperidin-1-yl)methyl]-N-[6-(trifluoromethyl)-2-pyridinyl]imidazo[1,5-a]pyridine-3-carboxamide is O=C(Nc1cccc(C(F)(F)F)n1)c1nc(CN2CCC(F)(F)CC2)c2ccccn12.
What is the InChIKey of 1-[(4,4-difluoropiperidin-1-yl)methyl]-N-[6-(trifluoromethyl)-2-pyridinyl]imidazo[1,5-a]pyridine-3-carboxamide?
The InChIKey is JOMBGLWLVGEFQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18F5N5O/c21-19(22)7-10-29(11-8-19)12-13-14-4-1-2-9-30(14)17(26-13)18(31)28-16-6-3-5-15(27-16)20(23,24)25/h1-6,9H,7-8,10-12H2,(H,27,28,31).
What are the key properties of 1-[(4,4-difluoropiperidin-1-yl)methyl]-N-[6-(trifluoromethyl)-2-pyridinyl]imidazo[1,5-a]pyridine-3-carboxamide?
1-[(4,4-difluoropiperidin-1-yl)methyl]-N-[6-(trifluoromethyl)-2-pyridinyl]imidazo[1,5-a]pyridine-3-carboxamide has a molecular weight of 439.39 g/mol, XLogP of 4.23, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4,4-difluoropiperidin-1-yl)methyl]-N-[6-(trifluoromethyl)-2-pyridinyl]imidazo[1,5-a]pyridine-3-carboxamide is sourced from PubChem (CID 54585087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).