3-piperidin-1-yl-N-(2,2,2-trifluoro-1-pyridin-2-ylethyl)imidazo[1,5-a]pyridine-1-carboxamide

C20H20F3N5O — CID 57436270

IUPAC3-piperidin-1-yl-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(N2CCCCC2)n2ccccc12
InChIInChI=1S/C20H20F3N5O/c21-20(22,23)17(14-8-2-4-10-24-14)26-18(29)16-15-9-3-7-13-28(15)19(25-16)27-11-5-1-6-12-27/h2-4,7-10,13,17H,1,5-6,11-12H2,(H,26,29)
InChIKeyGPGPYEPYIQVMLR-UHFFFAOYSA-N
MW403.41 g/mol
LogP3.75
Rot. Bonds4

About 3-piperidin-1-yl-N-(2,2,2-trifluoro-1-pyridin-2-ylethyl)imidazo[1,5-a]pyridine-1-carboxamide

3-piperidin-1-yl-N-(2,2,2-trifluoro-1-pyridin-2-ylethyl)imidazo[1,5-a]pyridine-1-carboxamide (PubChem CID 57436270) has the molecular formula C20H20F3N5O and a molecular weight of 403.41 g/mol. Its IUPAC name is 3-piperidin-1-yl-N-(2,2,2-trifluoro-1-pyridin-2-ylethyl)imidazo[1,5-a]pyridine-1-carboxamide.

Molecular Properties

Compound Name3-piperidin-1-yl-N-(2,2,2-trifluoro-1-pyridin-2-ylethyl)imidazo[1,5-a]pyridine-1-carboxamide
PubChem CID57436270
Molecular FormulaC20H20F3N5O
Molecular Weight403.41 g/mol
Exact Mass403.16
IUPAC Name3-piperidin-1-yl-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(N2CCCCC2)n2ccccc12
InChIInChI=1S/C20H20F3N5O/c21-20(22,23)17(14-8-2-4-10-24-14)26-18(29)16-15-9-3-7-13-28(15)19(25-16)27-11-5-1-6-12-27/h2-4,7-10,13,17H,1,5-6,11-12H2,(H,26,29)
InChIKeyGPGPYEPYIQVMLR-UHFFFAOYSA-N
XLogP3.75
TPSA62.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.41
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-piperidin-1-yl-N-(2,2,2-trifluoro-1-pyridin-2-ylethyl)imidazo[1,5-a]pyridine-1-carboxamide?
The IUPAC name of 3-piperidin-1-yl-N-(2,2,2-trifluoro-1-pyridin-2-ylethyl)imidazo[1,5-a]pyridine-1-carboxamide (CID 57436270) is 3-piperidin-1-yl-N-(2,2,2-trifluoro-1-pyridin-2-ylethyl)imidazo[1,5-a]pyridine-1-carboxamide.
What is the SMILES notation for 3-piperidin-1-yl-N-(2,2,2-trifluoro-1-pyridin-2-ylethyl)imidazo[1,5-a]pyridine-1-carboxamide?
The canonical SMILES for 3-piperidin-1-yl-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(N2CCCCC2)n2ccccc12.
What is the InChIKey of 3-piperidin-1-yl-N-(2,2,2-trifluoro-1-pyridin-2-ylethyl)imidazo[1,5-a]pyridine-1-carboxamide?
The InChIKey is GPGPYEPYIQVMLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20F3N5O/c21-20(22,23)17(14-8-2-4-10-24-14)26-18(29)16-15-9-3-7-13-28(15)19(25-16)27-11-5-1-6-12-27/h2-4,7-10,13,17H,1,5-6,11-12H2,(H,26,29).
What are the key properties of 3-piperidin-1-yl-N-(2,2,2-trifluoro-1-pyridin-2-ylethyl)imidazo[1,5-a]pyridine-1-carboxamide?
3-piperidin-1-yl-N-(2,2,2-trifluoro-1-pyridin-2-ylethyl)imidazo[1,5-a]pyridine-1-carboxamide has a molecular weight of 403.41 g/mol, XLogP of 3.75, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-piperidin-1-yl-N-(2,2,2-trifluoro-1-pyridin-2-ylethyl)imidazo[1,5-a]pyridine-1-carboxamide is sourced from PubChem (CID 57436270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).