3-[(4,4-difluoropiperidin-1-yl)methyl]-N-[[1-(hydroxymethyl)cyclopentyl]methyl]imidazo[1,5-a]pyridine-1-carboxamide

C21H28F2N4O2 — CID 54585088

IUPAC3-[(4,4-difluoropiperidin-1-yl)methyl]-N-[[1-(hydroxymethyl)cyclopentyl]methyl]imidazo[1,5-a]pyridine-1-carboxamide
SMILESO=C(NCC1(CO)CCCC1)c1nc(CN2CCC(F)(F)CC2)n2ccccc12
InChIInChI=1S/C21H28F2N4O2/c22-21(23)8-11-26(12-9-21)13-17-25-18(16-5-1-4-10-27(16)17)19(29)24-14-20(15-28)6-2-3-7-20/h1,4-5,10,28H,2-3,6-9,11-15H2,(H,24,29)
InChIKeyNAIUQZFQDFINIL-UHFFFAOYSA-N
MW406.48 g/mol
LogP2.85
Rot. Bonds6

About 3-[(4,4-difluoropiperidin-1-yl)methyl]-N-[[1-(hydroxymethyl)cyclopentyl]methyl]imidazo[1,5-a]pyridine-1-carboxamide

3-[(4,4-difluoropiperidin-1-yl)methyl]-N-[[1-(hydroxymethyl)cyclopentyl]methyl]imidazo[1,5-a]pyridine-1-carboxamide (PubChem CID 54585088) has the molecular formula C21H28F2N4O2 and a molecular weight of 406.48 g/mol. Its IUPAC name is 3-[(4,4-difluoropiperidin-1-yl)methyl]-N-[[1-(hydroxymethyl)cyclopentyl]methyl]imidazo[1,5-a]pyridine-1-carboxamide.

Molecular Properties

Compound Name3-[(4,4-difluoropiperidin-1-yl)methyl]-N-[[1-(hydroxymethyl)cyclopentyl]methyl]imidazo[1,5-a]pyridine-1-carboxamide
PubChem CID54585088
Molecular FormulaC21H28F2N4O2
Molecular Weight406.48 g/mol
Exact Mass406.22
IUPAC Name3-[(4,4-difluoropiperidin-1-yl)methyl]-N-[[1-(hydroxymethyl)cyclopentyl]methyl]imidazo[1,5-a]pyridine-1-carboxamide
SMILESO=C(NCC1(CO)CCCC1)c1nc(CN2CCC(F)(F)CC2)n2ccccc12
InChIInChI=1S/C21H28F2N4O2/c22-21(23)8-11-26(12-9-21)13-17-25-18(16-5-1-4-10-27(16)17)19(29)24-14-20(15-28)6-2-3-7-20/h1,4-5,10,28H,2-3,6-9,11-15H2,(H,24,29)
InChIKeyNAIUQZFQDFINIL-UHFFFAOYSA-N
XLogP2.85
TPSA69.87 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.48
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[(4,4-difluoropiperidin-1-yl)methyl]-N-[[1-(hydroxymethyl)cyclopentyl]methyl]imidazo[1,5-a]pyridine-1-carboxamide?
The IUPAC name of 3-[(4,4-difluoropiperidin-1-yl)methyl]-N-[[1-(hydroxymethyl)cyclopentyl]methyl]imidazo[1,5-a]pyridine-1-carboxamide (CID 54585088) is 3-[(4,4-difluoropiperidin-1-yl)methyl]-N-[[1-(hydroxymethyl)cyclopentyl]methyl]imidazo[1,5-a]pyridine-1-carboxamide.
What is the SMILES notation for 3-[(4,4-difluoropiperidin-1-yl)methyl]-N-[[1-(hydroxymethyl)cyclopentyl]methyl]imidazo[1,5-a]pyridine-1-carboxamide?
The canonical SMILES for 3-[(4,4-difluoropiperidin-1-yl)methyl]-N-[[1-(hydroxymethyl)cyclopentyl]methyl]imidazo[1,5-a]pyridine-1-carboxamide is O=C(NCC1(CO)CCCC1)c1nc(CN2CCC(F)(F)CC2)n2ccccc12.
What is the InChIKey of 3-[(4,4-difluoropiperidin-1-yl)methyl]-N-[[1-(hydroxymethyl)cyclopentyl]methyl]imidazo[1,5-a]pyridine-1-carboxamide?
The InChIKey is NAIUQZFQDFINIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28F2N4O2/c22-21(23)8-11-26(12-9-21)13-17-25-18(16-5-1-4-10-27(16)17)19(29)24-14-20(15-28)6-2-3-7-20/h1,4-5,10,28H,2-3,6-9,11-15H2,(H,24,29).
What are the key properties of 3-[(4,4-difluoropiperidin-1-yl)methyl]-N-[[1-(hydroxymethyl)cyclopentyl]methyl]imidazo[1,5-a]pyridine-1-carboxamide?
3-[(4,4-difluoropiperidin-1-yl)methyl]-N-[[1-(hydroxymethyl)cyclopentyl]methyl]imidazo[1,5-a]pyridine-1-carboxamide has a molecular weight of 406.48 g/mol, XLogP of 2.85, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4,4-difluoropiperidin-1-yl)methyl]-N-[[1-(hydroxymethyl)cyclopentyl]methyl]imidazo[1,5-a]pyridine-1-carboxamide is sourced from PubChem (CID 54585088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).