(7S)-N-[5-(ethylcarbamoyl)-2-methylphenyl]-3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxamide

C19H21F3N4O2 — CID 97339558

IUPAC(7S)-N-[5-(ethylcarbamoyl)-2-methylphenyl]-3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxamide
SMILESCCNC(=O)c1ccc(C)c(NC(=O)[C@H]2CCn3c(cnc3C(F)(F)F)C2)c1
InChIInChI=1S/C19H21F3N4O2/c1-3-23-16(27)12-5-4-11(2)15(9-12)25-17(28)13-6-7-26-14(8-13)10-24-18(26)19(20,21)22/h4-5,9-10,13H,3,6-8H2,1-2H3,(H,23,27)(H,25,28)/t13-/m0/s1
InChIKeyLQFRGRXUAWDFKP-ZDUSSCGKSA-N
MW394.40 g/mol
LogP3.16
Rot. Bonds4

About (7S)-N-[5-(ethylcarbamoyl)-2-methylphenyl]-3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxamide

(7S)-N-[5-(ethylcarbamoyl)-2-methylphenyl]-3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxamide (PubChem CID 97339558) has the molecular formula C19H21F3N4O2 and a molecular weight of 394.40 g/mol. Its IUPAC name is (7S)-N-[5-(ethylcarbamoyl)-2-methylphenyl]-3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxamide.

Molecular Properties

Compound Name(7S)-N-[5-(ethylcarbamoyl)-2-methylphenyl]-3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxamide
PubChem CID97339558
Molecular FormulaC19H21F3N4O2
Molecular Weight394.40 g/mol
Exact Mass394.16
IUPAC Name(7S)-N-[5-(ethylcarbamoyl)-2-methylphenyl]-3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxamide
SMILESCCNC(=O)c1ccc(C)c(NC(=O)[C@H]2CCn3c(cnc3C(F)(F)F)C2)c1
InChIInChI=1S/C19H21F3N4O2/c1-3-23-16(27)12-5-4-11(2)15(9-12)25-17(28)13-6-7-26-14(8-13)10-24-18(26)19(20,21)22/h4-5,9-10,13H,3,6-8H2,1-2H3,(H,23,27)(H,25,28)/t13-/m0/s1
InChIKeyLQFRGRXUAWDFKP-ZDUSSCGKSA-N
XLogP3.16
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.40
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (7S)-N-[5-(ethylcarbamoyl)-2-methylphenyl]-3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[5-(ethylcarbamoyl)-2-methylphenyl]-1-(4-fluorobenzoyl)piperidine-3-carboxamide
CID 55782726
3-[[2-(cyclopropylmethylamino)acetyl]amino]-N-ethyl-4-methylbenzamide
CID 60867288
3-acetamido-N-ethyl-4-methylbenzamide
CID 47211029
2-[[5-(ethylcarbamoyl)-2-methylphenyl]carbamoyl]cyclopropane-1-carboxylic acid
CID 60941507
1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-[5-(cyclopropylcarbamoyl)-2-methylphenyl]piperidine-4-carboxamide
CID 55783271
4-methyl-3-[[1-(2,2,2-trifluoroacetyl)piperidine-4-carbonyl]amino]benzoic acid
CID 110669217
3-[(3-aminocyclopentanecarbonyl)amino]-4-methyl-N-(2,2,2-trifluoroethyl)benzamide
CID 119726113
N-[5-(ethylcarbamoyl)-2-methylphenyl]-4-(1,2,4-triazol-4-ylmethyl)piperidine-1-carboxamide
CID 136549708
4-amino-N-[5-(ethylcarbamoyl)-2-methylphenyl]oxolane-3-carboxamide
CID 66240837
(1R,2S,3R,4R)-3-[[5-(ethylcarbamoyl)-2-methylphenyl]carbamoyl]bicyclo[2.2.1]hept-5-ene-2-carboxylic acid
CID 98449078
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
N-ethyl-4-methyl-3-(1,2,2-tricyanoethenylamino)benzamide
CID 168606703

Frequently Asked Questions

What is the IUPAC name of (7S)-N-[5-(ethylcarbamoyl)-2-methylphenyl]-3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxamide?
The IUPAC name of (7S)-N-[5-(ethylcarbamoyl)-2-methylphenyl]-3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxamide (CID 97339558) is (7S)-N-[5-(ethylcarbamoyl)-2-methylphenyl]-3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxamide.
What is the SMILES notation for (7S)-N-[5-(ethylcarbamoyl)-2-methylphenyl]-3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxamide?
The canonical SMILES for (7S)-N-[5-(ethylcarbamoyl)-2-methylphenyl]-3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxamide is CCNC(=O)c1ccc(C)c(NC(=O)[C@H]2CCn3c(cnc3C(F)(F)F)C2)c1.
What is the InChIKey of (7S)-N-[5-(ethylcarbamoyl)-2-methylphenyl]-3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxamide?
The InChIKey is LQFRGRXUAWDFKP-ZDUSSCGKSA-N. The full InChI is InChI=1S/C19H21F3N4O2/c1-3-23-16(27)12-5-4-11(2)15(9-12)25-17(28)13-6-7-26-14(8-13)10-24-18(26)19(20,21)22/h4-5,9-10,13H,3,6-8H2,1-2H3,(H,23,27)(H,25,28)/t13-/m0/s1.
What are the key properties of (7S)-N-[5-(ethylcarbamoyl)-2-methylphenyl]-3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxamide?
(7S)-N-[5-(ethylcarbamoyl)-2-methylphenyl]-3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxamide has a molecular weight of 394.40 g/mol, XLogP of 3.16, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (7S)-N-[5-(ethylcarbamoyl)-2-methylphenyl]-3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxamide is sourced from PubChem (CID 97339558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).