3-(3-chlorophenyl)-N-(2,2,2-trifluoro-1-pyridin-2-ylethyl)-2,3-dihydroimidazo[1,5-a]pyridine-1-carboxamide

C21H16ClF3N4O — CID 91568927

IUPAC3-(3-chlorophenyl)-N-(2,2,2-trifluoro-1-pyridin-2-ylethyl)-2,3-dihydroimidazo[1,5-a]pyridine-1-carboxamide
SMILESO=C(NC(c1ccccn1)C(F)(F)F)C1=C2C=CC=CN2C(c2cccc(Cl)c2)N1
InChIInChI=1S/C21H16ClF3N4O/c22-14-7-5-6-13(12-14)19-27-17(16-9-2-4-11-29(16)19)20(30)28-18(21(23,24)25)15-8-1-3-10-26-15/h1-12,18-19,27H,(H,28,30)
InChIKeyAFLAFJWPQLFJHK-UHFFFAOYSA-N
MW432.83 g/mol
LogP4.35
Rot. Bonds4

About 3-(3-chlorophenyl)-N-(2,2,2-trifluoro-1-pyridin-2-ylethyl)-2,3-dihydroimidazo[1,5-a]pyridine-1-carboxamide

3-(3-chlorophenyl)-N-(2,2,2-trifluoro-1-pyridin-2-ylethyl)-2,3-dihydroimidazo[1,5-a]pyridine-1-carboxamide (PubChem CID 91568927) has the molecular formula C21H16ClF3N4O and a molecular weight of 432.83 g/mol. Its IUPAC name is 3-(3-chlorophenyl)-N-(2,2,2-trifluoro-1-pyridin-2-ylethyl)-2,3-dihydroimidazo[1,5-a]pyridine-1-carboxamide.

Molecular Properties

Compound Name3-(3-chlorophenyl)-N-(2,2,2-trifluoro-1-pyridin-2-ylethyl)-2,3-dihydroimidazo[1,5-a]pyridine-1-carboxamide
PubChem CID91568927
Molecular FormulaC21H16ClF3N4O
Molecular Weight432.83 g/mol
Exact Mass432.10
IUPAC Name3-(3-chlorophenyl)-N-(2,2,2-trifluoro-1-pyridin-2-ylethyl)-2,3-dihydroimidazo[1,5-a]pyridine-1-carboxamide
SMILESO=C(NC(c1ccccn1)C(F)(F)F)C1=C2C=CC=CN2C(c2cccc(Cl)c2)N1
InChIInChI=1S/C21H16ClF3N4O/c22-14-7-5-6-13(12-14)19-27-17(16-9-2-4-11-29(16)19)20(30)28-18(21(23,24)25)15-8-1-3-10-26-15/h1-12,18-19,27H,(H,28,30)
InChIKeyAFLAFJWPQLFJHK-UHFFFAOYSA-N
XLogP4.35
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.83
LogP ≤ 54.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(3-chlorophenyl)-N-(2,2,2-trifluoro-1-pyridin-2-ylethyl)-2,3-dihydroimidazo[1,5-a]pyridine-1-carboxamide?
The IUPAC name of 3-(3-chlorophenyl)-N-(2,2,2-trifluoro-1-pyridin-2-ylethyl)-2,3-dihydroimidazo[1,5-a]pyridine-1-carboxamide (CID 91568927) is 3-(3-chlorophenyl)-N-(2,2,2-trifluoro-1-pyridin-2-ylethyl)-2,3-dihydroimidazo[1,5-a]pyridine-1-carboxamide.
What is the SMILES notation for 3-(3-chlorophenyl)-N-(2,2,2-trifluoro-1-pyridin-2-ylethyl)-2,3-dihydroimidazo[1,5-a]pyridine-1-carboxamide?
The canonical SMILES for 3-(3-chlorophenyl)-N-(2,2,2-trifluoro-1-pyridin-2-ylethyl)-2,3-dihydroimidazo[1,5-a]pyridine-1-carboxamide is O=C(NC(c1ccccn1)C(F)(F)F)C1=C2C=CC=CN2C(c2cccc(Cl)c2)N1.
What is the InChIKey of 3-(3-chlorophenyl)-N-(2,2,2-trifluoro-1-pyridin-2-ylethyl)-2,3-dihydroimidazo[1,5-a]pyridine-1-carboxamide?
The InChIKey is AFLAFJWPQLFJHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16ClF3N4O/c22-14-7-5-6-13(12-14)19-27-17(16-9-2-4-11-29(16)19)20(30)28-18(21(23,24)25)15-8-1-3-10-26-15/h1-12,18-19,27H,(H,28,30).
What are the key properties of 3-(3-chlorophenyl)-N-(2,2,2-trifluoro-1-pyridin-2-ylethyl)-2,3-dihydroimidazo[1,5-a]pyridine-1-carboxamide?
3-(3-chlorophenyl)-N-(2,2,2-trifluoro-1-pyridin-2-ylethyl)-2,3-dihydroimidazo[1,5-a]pyridine-1-carboxamide has a molecular weight of 432.83 g/mol, XLogP of 4.35, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chlorophenyl)-N-(2,2,2-trifluoro-1-pyridin-2-ylethyl)-2,3-dihydroimidazo[1,5-a]pyridine-1-carboxamide is sourced from PubChem (CID 91568927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).