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

C21H14F4N4O — CID 58023866

IUPAC3-(4-fluorophenyl)-N-[(1S)-2,2,2-trifluoro-1-pyridin-2-ylethyl]imidazo[1,5-a]pyridine-1-carboxamide
SMILESO=C(N[C@@H](c1ccccn1)C(F)(F)F)c1nc(-c2ccc(F)cc2)n2ccccc12
InChIInChI=1S/C21H14F4N4O/c22-14-9-7-13(8-10-14)19-27-17(16-6-2-4-12-29(16)19)20(30)28-18(21(23,24)25)15-5-1-3-11-26-15/h1-12,18H,(H,28,30)/t18-/m0/s1
InChIKeyHATKGMKRMYVAQL-SFHVURJKSA-N
MW414.36 g/mol
LogP4.57
Rot. Bonds4

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

3-(4-fluorophenyl)-N-[(1S)-2,2,2-trifluoro-1-pyridin-2-ylethyl]imidazo[1,5-a]pyridine-1-carboxamide (PubChem CID 58023866) has the molecular formula C21H14F4N4O and a molecular weight of 414.36 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-N-[(1S)-2,2,2-trifluoro-1-pyridin-2-ylethyl]imidazo[1,5-a]pyridine-1-carboxamide.

Molecular Properties

Compound Name3-(4-fluorophenyl)-N-[(1S)-2,2,2-trifluoro-1-pyridin-2-ylethyl]imidazo[1,5-a]pyridine-1-carboxamide
PubChem CID58023866
Molecular FormulaC21H14F4N4O
Molecular Weight414.36 g/mol
Exact Mass414.11
IUPAC Name3-(4-fluorophenyl)-N-[(1S)-2,2,2-trifluoro-1-pyridin-2-ylethyl]imidazo[1,5-a]pyridine-1-carboxamide
SMILESO=C(N[C@@H](c1ccccn1)C(F)(F)F)c1nc(-c2ccc(F)cc2)n2ccccc12
InChIInChI=1S/C21H14F4N4O/c22-14-9-7-13(8-10-14)19-27-17(16-6-2-4-12-29(16)19)20(30)28-18(21(23,24)25)15-5-1-3-11-26-15/h1-12,18H,(H,28,30)/t18-/m0/s1
InChIKeyHATKGMKRMYVAQL-SFHVURJKSA-N
XLogP4.57
TPSA59.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.36
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-N-[(1S)-2,2,2-trifluoro-1-pyridin-2-ylethyl]imidazo[1,5-a]pyridine-1-carboxamide?
The IUPAC name of 3-(4-fluorophenyl)-N-[(1S)-2,2,2-trifluoro-1-pyridin-2-ylethyl]imidazo[1,5-a]pyridine-1-carboxamide (CID 58023866) is 3-(4-fluorophenyl)-N-[(1S)-2,2,2-trifluoro-1-pyridin-2-ylethyl]imidazo[1,5-a]pyridine-1-carboxamide.
What is the SMILES notation for 3-(4-fluorophenyl)-N-[(1S)-2,2,2-trifluoro-1-pyridin-2-ylethyl]imidazo[1,5-a]pyridine-1-carboxamide?
The canonical SMILES for 3-(4-fluorophenyl)-N-[(1S)-2,2,2-trifluoro-1-pyridin-2-ylethyl]imidazo[1,5-a]pyridine-1-carboxamide is O=C(N[C@@H](c1ccccn1)C(F)(F)F)c1nc(-c2ccc(F)cc2)n2ccccc12.
What is the InChIKey of 3-(4-fluorophenyl)-N-[(1S)-2,2,2-trifluoro-1-pyridin-2-ylethyl]imidazo[1,5-a]pyridine-1-carboxamide?
The InChIKey is HATKGMKRMYVAQL-SFHVURJKSA-N. The full InChI is InChI=1S/C21H14F4N4O/c22-14-9-7-13(8-10-14)19-27-17(16-6-2-4-12-29(16)19)20(30)28-18(21(23,24)25)15-5-1-3-11-26-15/h1-12,18H,(H,28,30)/t18-/m0/s1.
What are the key properties of 3-(4-fluorophenyl)-N-[(1S)-2,2,2-trifluoro-1-pyridin-2-ylethyl]imidazo[1,5-a]pyridine-1-carboxamide?
3-(4-fluorophenyl)-N-[(1S)-2,2,2-trifluoro-1-pyridin-2-ylethyl]imidazo[1,5-a]pyridine-1-carboxamide has a molecular weight of 414.36 g/mol, XLogP of 4.57, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-N-[(1S)-2,2,2-trifluoro-1-pyridin-2-ylethyl]imidazo[1,5-a]pyridine-1-carboxamide is sourced from PubChem (CID 58023866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).