1-[(4,4-difluoropiperidin-1-yl)methyl]-3-[3-(trifluoromethyl)phenyl]imidazo[1,5-a]pyridine

C20H18F5N3 — CID 25174143

IUPAC1-[(4,4-difluoropiperidin-1-yl)methyl]-3-[3-(trifluoromethyl)phenyl]imidazo[1,5-a]pyridine
SMILESFC1(F)CCN(Cc2nc(-c3cccc(C(F)(F)F)c3)n3ccccc23)CC1
InChIInChI=1S/C20H18F5N3/c21-19(22)7-10-27(11-8-19)13-16-17-6-1-2-9-28(17)18(26-16)14-4-3-5-15(12-14)20(23,24)25/h1-6,9,12H,7-8,10-11,13H2
InChIKeyKLDDXUZNQKHJCV-UHFFFAOYSA-N
MW395.38 g/mol
LogP5.25
Rot. Bonds3

About 1-[(4,4-difluoropiperidin-1-yl)methyl]-3-[3-(trifluoromethyl)phenyl]imidazo[1,5-a]pyridine

1-[(4,4-difluoropiperidin-1-yl)methyl]-3-[3-(trifluoromethyl)phenyl]imidazo[1,5-a]pyridine (PubChem CID 25174143) has the molecular formula C20H18F5N3 and a molecular weight of 395.38 g/mol. Its IUPAC name is 1-[(4,4-difluoropiperidin-1-yl)methyl]-3-[3-(trifluoromethyl)phenyl]imidazo[1,5-a]pyridine.

Molecular Properties

Compound Name1-[(4,4-difluoropiperidin-1-yl)methyl]-3-[3-(trifluoromethyl)phenyl]imidazo[1,5-a]pyridine
PubChem CID25174143
Molecular FormulaC20H18F5N3
Molecular Weight395.38 g/mol
Exact Mass395.14
IUPAC Name1-[(4,4-difluoropiperidin-1-yl)methyl]-3-[3-(trifluoromethyl)phenyl]imidazo[1,5-a]pyridine
SMILESFC1(F)CCN(Cc2nc(-c3cccc(C(F)(F)F)c3)n3ccccc23)CC1
InChIInChI=1S/C20H18F5N3/c21-19(22)7-10-27(11-8-19)13-16-17-6-1-2-9-28(17)18(26-16)14-4-3-5-15(12-14)20(23,24)25/h1-6,9,12H,7-8,10-11,13H2
InChIKeyKLDDXUZNQKHJCV-UHFFFAOYSA-N
XLogP5.25
TPSA20.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.38
LogP ≤ 55.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(4,4-difluoropiperidin-1-yl)methyl]-3-[3-(trifluoromethyl)phenyl]imidazo[1,5-a]pyridine?
The IUPAC name of 1-[(4,4-difluoropiperidin-1-yl)methyl]-3-[3-(trifluoromethyl)phenyl]imidazo[1,5-a]pyridine (CID 25174143) is 1-[(4,4-difluoropiperidin-1-yl)methyl]-3-[3-(trifluoromethyl)phenyl]imidazo[1,5-a]pyridine.
What is the SMILES notation for 1-[(4,4-difluoropiperidin-1-yl)methyl]-3-[3-(trifluoromethyl)phenyl]imidazo[1,5-a]pyridine?
The canonical SMILES for 1-[(4,4-difluoropiperidin-1-yl)methyl]-3-[3-(trifluoromethyl)phenyl]imidazo[1,5-a]pyridine is FC1(F)CCN(Cc2nc(-c3cccc(C(F)(F)F)c3)n3ccccc23)CC1.
What is the InChIKey of 1-[(4,4-difluoropiperidin-1-yl)methyl]-3-[3-(trifluoromethyl)phenyl]imidazo[1,5-a]pyridine?
The InChIKey is KLDDXUZNQKHJCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18F5N3/c21-19(22)7-10-27(11-8-19)13-16-17-6-1-2-9-28(17)18(26-16)14-4-3-5-15(12-14)20(23,24)25/h1-6,9,12H,7-8,10-11,13H2.
What are the key properties of 1-[(4,4-difluoropiperidin-1-yl)methyl]-3-[3-(trifluoromethyl)phenyl]imidazo[1,5-a]pyridine?
1-[(4,4-difluoropiperidin-1-yl)methyl]-3-[3-(trifluoromethyl)phenyl]imidazo[1,5-a]pyridine has a molecular weight of 395.38 g/mol, XLogP of 5.25, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4,4-difluoropiperidin-1-yl)methyl]-3-[3-(trifluoromethyl)phenyl]imidazo[1,5-a]pyridine is sourced from PubChem (CID 25174143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).