N-(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-7-yl)-3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxamide

C19H19F3N4O2 — CID 75472749

IUPACN-(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-7-yl)-3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxamide
SMILESO=C1CCCc2cc(NC(=O)C3CCn4c(cnc4C(F)(F)F)C3)ccc2N1
InChIInChI=1S/C19H19F3N4O2/c20-19(21,22)18-23-10-14-9-12(6-7-26(14)18)17(28)24-13-4-5-15-11(8-13)2-1-3-16(27)25-15/h4-5,8,10,12H,1-3,6-7,9H2,(H,24,28)(H,25,27)
InChIKeyFLURYTJPJCBUOA-UHFFFAOYSA-N
MW392.38 g/mol
LogP3.38
Rot. Bonds2

About N-(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-7-yl)-3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxamide

N-(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-7-yl)-3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxamide (PubChem CID 75472749) has the molecular formula C19H19F3N4O2 and a molecular weight of 392.38 g/mol. Its IUPAC name is N-(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-7-yl)-3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxamide.

Molecular Properties

Compound NameN-(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-7-yl)-3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxamide
PubChem CID75472749
Molecular FormulaC19H19F3N4O2
Molecular Weight392.38 g/mol
Exact Mass392.15
IUPAC NameN-(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-7-yl)-3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxamide
SMILESO=C1CCCc2cc(NC(=O)C3CCn4c(cnc4C(F)(F)F)C3)ccc2N1
InChIInChI=1S/C19H19F3N4O2/c20-19(21,22)18-23-10-14-9-12(6-7-26(14)18)17(28)24-13-4-5-15-11(8-13)2-1-3-16(27)25-15/h4-5,8,10,12H,1-3,6-7,9H2,(H,24,28)(H,25,27)
InChIKeyFLURYTJPJCBUOA-UHFFFAOYSA-N
XLogP3.38
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.38
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-7-yl)-3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxamide with MolForge

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Related Compounds

1-benzyl-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)piperidine-4-carboxamide
CID 70048298
1-[(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-7-yl)sulfonyl]-N-(4-propan-2-ylphenyl)piperidine-4-carboxamide
CID 46282208
5-oxo-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)-1-propan-2-ylpyrrolidine-3-carboxamide
CID 86929823
(7S)-N-[5-(ethylcarbamoyl)-2-methylphenyl]-3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxamide
CID 97339558
N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)-2-[2-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide
CID 71897401
7-[[2-(2,2,2-trifluoroethyl)-1,3-thiazol-5-yl]methylamino]-1,3,4,5-tetrahydro-1-benzazepin-2-one
CID 146140370
1-[(4-methoxyphenyl)methyl]-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)piperidine-4-carboxamide
CID 70048118
7-[[(3R)-2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]amino]-1,3,4,5-tetrahydro-1-benzazepin-2-one
CID 95980194
7-[3-(trifluoromethyl)anilino]-1,3,4,5-tetrahydro-1-benzazepin-2-one
CID 86342434
2-amino-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)cyclopentane-1-carboxamide;hydrochloride
CID 119708958
N-(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-7-yl)-9-propan-2-yl-3,9-diazabicyclo[4.2.1]nonane-3-carboxamide
CID 166217928
N-cyclopentyl-2-oxo-1,3,4,5-tetrahydro-1-benzazepine-7-carboxamide
CID 39896851

Frequently Asked Questions

What is the IUPAC name of N-(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-7-yl)-3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxamide?
The IUPAC name of N-(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-7-yl)-3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxamide (CID 75472749) is N-(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-7-yl)-3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxamide.
What is the SMILES notation for N-(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-7-yl)-3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxamide?
The canonical SMILES for N-(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-7-yl)-3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxamide is O=C1CCCc2cc(NC(=O)C3CCn4c(cnc4C(F)(F)F)C3)ccc2N1.
What is the InChIKey of N-(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-7-yl)-3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxamide?
The InChIKey is FLURYTJPJCBUOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F3N4O2/c20-19(21,22)18-23-10-14-9-12(6-7-26(14)18)17(28)24-13-4-5-15-11(8-13)2-1-3-16(27)25-15/h4-5,8,10,12H,1-3,6-7,9H2,(H,24,28)(H,25,27).
What are the key properties of N-(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-7-yl)-3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxamide?
N-(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-7-yl)-3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxamide has a molecular weight of 392.38 g/mol, XLogP of 3.38, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-7-yl)-3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxamide is sourced from PubChem (CID 75472749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).