(6S)-N-[(3R)-2-oxoazepan-3-yl]-6-[3-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxamide

C21H23F3N4O2 — CID 93013114

IUPAC(6S)-N-[(3R)-2-oxoazepan-3-yl]-6-[3-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxamide
SMILESO=C(N[C@@H]1CCCCNC1=O)c1cn2c(n1)CC[C@@H](c1cccc(C(F)(F)F)c1)C2
InChIInChI=1S/C21H23F3N4O2/c22-21(23,24)15-5-3-4-13(10-15)14-7-8-18-26-17(12-28(18)11-14)20(30)27-16-6-1-2-9-25-19(16)29/h3-5,10,12,14,16H,1-2,6-9,11H2,(H,25,29)(H,27,30)/t14-,16-/m1/s1
InChIKeyUBUPQBFAGFUJMI-GDBMZVCRSA-N
MW420.44 g/mol
LogP3.03
Rot. Bonds3

About (6S)-N-[(3R)-2-oxoazepan-3-yl]-6-[3-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxamide

(6S)-N-[(3R)-2-oxoazepan-3-yl]-6-[3-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxamide (PubChem CID 93013114) has the molecular formula C21H23F3N4O2 and a molecular weight of 420.44 g/mol. Its IUPAC name is (6S)-N-[(3R)-2-oxoazepan-3-yl]-6-[3-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxamide.

Molecular Properties

Compound Name(6S)-N-[(3R)-2-oxoazepan-3-yl]-6-[3-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxamide
PubChem CID93013114
Molecular FormulaC21H23F3N4O2
Molecular Weight420.44 g/mol
Exact Mass420.18
IUPAC Name(6S)-N-[(3R)-2-oxoazepan-3-yl]-6-[3-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxamide
SMILESO=C(N[C@@H]1CCCCNC1=O)c1cn2c(n1)CC[C@@H](c1cccc(C(F)(F)F)c1)C2
InChIInChI=1S/C21H23F3N4O2/c22-21(23,24)15-5-3-4-13(10-15)14-7-8-18-26-17(12-28(18)11-14)20(30)27-16-6-1-2-9-25-19(16)29/h3-5,10,12,14,16H,1-2,6-9,11H2,(H,25,29)(H,27,30)/t14-,16-/m1/s1
InChIKeyUBUPQBFAGFUJMI-GDBMZVCRSA-N
XLogP3.03
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.44
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (6S)-N-[(3R)-2-oxoazepan-3-yl]-6-[3-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-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

(6S)-N-[(2R)-butan-2-yl]-6-[3-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxamide
CID 93013088
ethyl 4-[(6R)-6-[3-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carbonyl]piperazine-1-carboxylate
CID 93013112
(6R)-6-[3,5-bis(trifluoromethyl)phenyl]-N-[(2R)-butan-2-yl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxamide
CID 93013332
3-[[3-(trifluoromethyl)phenyl]methylamino]azepan-2-one
CID 43199156
(6S)-6-[3,5-bis(trifluoromethyl)phenyl]-N-[2-(dimethylamino)ethyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxamide
CID 93013368
6-(3-methylphenyl)-N-propyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxamide
CID 46080946
6-[3,5-bis(trifluoromethyl)phenyl]-N-(2-morpholin-4-ylethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxamide
CID 42878657
(6R)-N-[(4-fluorophenyl)methyl]-6-phenyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxamide
CID 93009766
2-methyl-N-[(3S)-2-oxoazepan-3-yl]-6-(trifluoromethyl)pyridine-3-carboxamide
CID 6930830
2-tert-butyl-7-(3-fluorophenyl)-N-(2-oxoazepan-3-yl)pyrazolo[1,5-a]pyrimidine-5-carboxamide
CID 46170341
[6-(4-ethylphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl]-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone
CID 42878709
(6R)-6-[3,5-bis(trifluoromethyl)phenyl]-N-(3-morpholin-4-ylpropyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxamide
CID 93013372

Frequently Asked Questions

What is the IUPAC name of (6S)-N-[(3R)-2-oxoazepan-3-yl]-6-[3-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxamide?
The IUPAC name of (6S)-N-[(3R)-2-oxoazepan-3-yl]-6-[3-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxamide (CID 93013114) is (6S)-N-[(3R)-2-oxoazepan-3-yl]-6-[3-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxamide.
What is the SMILES notation for (6S)-N-[(3R)-2-oxoazepan-3-yl]-6-[3-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxamide?
The canonical SMILES for (6S)-N-[(3R)-2-oxoazepan-3-yl]-6-[3-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxamide is O=C(N[C@@H]1CCCCNC1=O)c1cn2c(n1)CC[C@@H](c1cccc(C(F)(F)F)c1)C2.
What is the InChIKey of (6S)-N-[(3R)-2-oxoazepan-3-yl]-6-[3-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxamide?
The InChIKey is UBUPQBFAGFUJMI-GDBMZVCRSA-N. The full InChI is InChI=1S/C21H23F3N4O2/c22-21(23,24)15-5-3-4-13(10-15)14-7-8-18-26-17(12-28(18)11-14)20(30)27-16-6-1-2-9-25-19(16)29/h3-5,10,12,14,16H,1-2,6-9,11H2,(H,25,29)(H,27,30)/t14-,16-/m1/s1.
What are the key properties of (6S)-N-[(3R)-2-oxoazepan-3-yl]-6-[3-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxamide?
(6S)-N-[(3R)-2-oxoazepan-3-yl]-6-[3-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxamide has a molecular weight of 420.44 g/mol, XLogP of 3.03, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-N-[(3R)-2-oxoazepan-3-yl]-6-[3-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxamide is sourced from PubChem (CID 93013114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).