3-(4-fluoropiperidine-1-carbonyl)-N-(2,2,2-trifluoro-1-pyridin-2-ylethyl)imidazo[1,5-a]pyridine-1-carboxamide

C21H19F4N5O2 — CID 69004509

IUPAC3-(4-fluoropiperidine-1-carbonyl)-N-(2,2,2-trifluoro-1-pyridin-2-ylethyl)imidazo[1,5-a]pyridine-1-carboxamide
SMILESO=C(NC(c1ccccn1)C(F)(F)F)c1nc(C(=O)N2CCC(F)CC2)n2ccccc12
InChIInChI=1S/C21H19F4N5O2/c22-13-7-11-29(12-8-13)20(32)18-27-16(15-6-2-4-10-30(15)18)19(31)28-17(21(23,24)25)14-5-1-3-9-26-14/h1-6,9-10,13,17H,7-8,11-12H2,(H,28,31)
InChIKeyZYVGDHKFALXDBZ-UHFFFAOYSA-N
MW449.41 g/mol
LogP3.34
Rot. Bonds4

About 3-(4-fluoropiperidine-1-carbonyl)-N-(2,2,2-trifluoro-1-pyridin-2-ylethyl)imidazo[1,5-a]pyridine-1-carboxamide

3-(4-fluoropiperidine-1-carbonyl)-N-(2,2,2-trifluoro-1-pyridin-2-ylethyl)imidazo[1,5-a]pyridine-1-carboxamide (PubChem CID 69004509) has the molecular formula C21H19F4N5O2 and a molecular weight of 449.41 g/mol. Its IUPAC name is 3-(4-fluoropiperidine-1-carbonyl)-N-(2,2,2-trifluoro-1-pyridin-2-ylethyl)imidazo[1,5-a]pyridine-1-carboxamide.

Molecular Properties

Compound Name3-(4-fluoropiperidine-1-carbonyl)-N-(2,2,2-trifluoro-1-pyridin-2-ylethyl)imidazo[1,5-a]pyridine-1-carboxamide
PubChem CID69004509
Molecular FormulaC21H19F4N5O2
Molecular Weight449.41 g/mol
Exact Mass449.15
IUPAC Name3-(4-fluoropiperidine-1-carbonyl)-N-(2,2,2-trifluoro-1-pyridin-2-ylethyl)imidazo[1,5-a]pyridine-1-carboxamide
SMILESO=C(NC(c1ccccn1)C(F)(F)F)c1nc(C(=O)N2CCC(F)CC2)n2ccccc12
InChIInChI=1S/C21H19F4N5O2/c22-13-7-11-29(12-8-13)20(32)18-27-16(15-6-2-4-10-30(15)18)19(31)28-17(21(23,24)25)14-5-1-3-9-26-14/h1-6,9-10,13,17H,7-8,11-12H2,(H,28,31)
InChIKeyZYVGDHKFALXDBZ-UHFFFAOYSA-N
XLogP3.34
TPSA79.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.41
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(4-fluoropiperidine-1-carbonyl)-N-(2,2,2-trifluoro-1-pyridin-2-ylethyl)imidazo[1,5-a]pyridine-1-carboxamide?
The IUPAC name of 3-(4-fluoropiperidine-1-carbonyl)-N-(2,2,2-trifluoro-1-pyridin-2-ylethyl)imidazo[1,5-a]pyridine-1-carboxamide (CID 69004509) is 3-(4-fluoropiperidine-1-carbonyl)-N-(2,2,2-trifluoro-1-pyridin-2-ylethyl)imidazo[1,5-a]pyridine-1-carboxamide.
What is the SMILES notation for 3-(4-fluoropiperidine-1-carbonyl)-N-(2,2,2-trifluoro-1-pyridin-2-ylethyl)imidazo[1,5-a]pyridine-1-carboxamide?
The canonical SMILES for 3-(4-fluoropiperidine-1-carbonyl)-N-(2,2,2-trifluoro-1-pyridin-2-ylethyl)imidazo[1,5-a]pyridine-1-carboxamide is O=C(NC(c1ccccn1)C(F)(F)F)c1nc(C(=O)N2CCC(F)CC2)n2ccccc12.
What is the InChIKey of 3-(4-fluoropiperidine-1-carbonyl)-N-(2,2,2-trifluoro-1-pyridin-2-ylethyl)imidazo[1,5-a]pyridine-1-carboxamide?
The InChIKey is ZYVGDHKFALXDBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19F4N5O2/c22-13-7-11-29(12-8-13)20(32)18-27-16(15-6-2-4-10-30(15)18)19(31)28-17(21(23,24)25)14-5-1-3-9-26-14/h1-6,9-10,13,17H,7-8,11-12H2,(H,28,31).
What are the key properties of 3-(4-fluoropiperidine-1-carbonyl)-N-(2,2,2-trifluoro-1-pyridin-2-ylethyl)imidazo[1,5-a]pyridine-1-carboxamide?
3-(4-fluoropiperidine-1-carbonyl)-N-(2,2,2-trifluoro-1-pyridin-2-ylethyl)imidazo[1,5-a]pyridine-1-carboxamide has a molecular weight of 449.41 g/mol, XLogP of 3.34, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluoropiperidine-1-carbonyl)-N-(2,2,2-trifluoro-1-pyridin-2-ylethyl)imidazo[1,5-a]pyridine-1-carboxamide is sourced from PubChem (CID 69004509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).