(6S)-6-[3,5-bis(trifluoromethyl)phenyl]-N-[2-(dimethylamino)ethyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxamide

C20H22F6N4O — CID 93013368

IUPAC(6S)-6-[3,5-bis(trifluoromethyl)phenyl]-N-[2-(dimethylamino)ethyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxamide
SMILESCN(C)CCNC(=O)c1cn2c(n1)CC[C@@H](c1cc(C(F)(F)F)cc(C(F)(F)F)c1)C2
InChIInChI=1S/C20H22F6N4O/c1-29(2)6-5-27-18(31)16-11-30-10-12(3-4-17(30)28-16)13-7-14(19(21,22)23)9-15(8-13)20(24,25)26/h7-9,11-12H,3-6,10H2,1-2H3,(H,27,31)/t12-/m1/s1
InChIKeyZECFVOOULZGYMM-GFCCVEGCSA-N
MW448.41 g/mol
LogP3.94
Rot. Bonds5

About (6S)-6-[3,5-bis(trifluoromethyl)phenyl]-N-[2-(dimethylamino)ethyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxamide

(6S)-6-[3,5-bis(trifluoromethyl)phenyl]-N-[2-(dimethylamino)ethyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxamide (PubChem CID 93013368) has the molecular formula C20H22F6N4O and a molecular weight of 448.41 g/mol. Its IUPAC name is (6S)-6-[3,5-bis(trifluoromethyl)phenyl]-N-[2-(dimethylamino)ethyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxamide.

Molecular Properties

Compound Name(6S)-6-[3,5-bis(trifluoromethyl)phenyl]-N-[2-(dimethylamino)ethyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxamide
PubChem CID93013368
Molecular FormulaC20H22F6N4O
Molecular Weight448.41 g/mol
Exact Mass448.17
IUPAC Name(6S)-6-[3,5-bis(trifluoromethyl)phenyl]-N-[2-(dimethylamino)ethyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxamide
SMILESCN(C)CCNC(=O)c1cn2c(n1)CC[C@@H](c1cc(C(F)(F)F)cc(C(F)(F)F)c1)C2
InChIInChI=1S/C20H22F6N4O/c1-29(2)6-5-27-18(31)16-11-30-10-12(3-4-17(30)28-16)13-7-14(19(21,22)23)9-15(8-13)20(24,25)26/h7-9,11-12H,3-6,10H2,1-2H3,(H,27,31)/t12-/m1/s1
InChIKeyZECFVOOULZGYMM-GFCCVEGCSA-N
XLogP3.94
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.41
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (6S)-6-[3,5-bis(trifluoromethyl)phenyl]-N-[2-(dimethylamino)ethyl]-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

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)-6-[3,5-bis(trifluoromethyl)phenyl]-N-(3-morpholin-4-ylpropyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxamide
CID 93013372
(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
(6S)-N-[(2R)-butan-2-yl]-6-[3-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxamide
CID 93013088
6-(3-methylphenyl)-N-propyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxamide
CID 46080946
[(6R)-6-[3,5-bis(trifluoromethyl)phenyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl]-[4-(2-fluorophenyl)piperazin-1-yl]methanone
CID 98408994
(6R)-6-(4-ethylphenyl)-N-(2-piperidin-1-ylethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxamide
CID 93013489
(6R)-N-[(4-fluorophenyl)methyl]-6-phenyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxamide
CID 93009766
(6S)-N-pentyl-6-(4-phenoxyphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxamide
CID 93013264
(6S)-N-[(3R)-2-oxoazepan-3-yl]-6-[3-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxamide
CID 93013114
N-[2,2-difluoro-2-[3-(trifluoromethyl)phenyl]ethyl]-7-methyl-6-phenyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxamide
CID 167414128
(6R)-N-(furan-2-ylmethyl)-6-phenyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxamide
CID 93009686

Frequently Asked Questions

What is the IUPAC name of (6S)-6-[3,5-bis(trifluoromethyl)phenyl]-N-[2-(dimethylamino)ethyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxamide?
The IUPAC name of (6S)-6-[3,5-bis(trifluoromethyl)phenyl]-N-[2-(dimethylamino)ethyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxamide (CID 93013368) is (6S)-6-[3,5-bis(trifluoromethyl)phenyl]-N-[2-(dimethylamino)ethyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxamide.
What is the SMILES notation for (6S)-6-[3,5-bis(trifluoromethyl)phenyl]-N-[2-(dimethylamino)ethyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxamide?
The canonical SMILES for (6S)-6-[3,5-bis(trifluoromethyl)phenyl]-N-[2-(dimethylamino)ethyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxamide is CN(C)CCNC(=O)c1cn2c(n1)CC[C@@H](c1cc(C(F)(F)F)cc(C(F)(F)F)c1)C2.
What is the InChIKey of (6S)-6-[3,5-bis(trifluoromethyl)phenyl]-N-[2-(dimethylamino)ethyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxamide?
The InChIKey is ZECFVOOULZGYMM-GFCCVEGCSA-N. The full InChI is InChI=1S/C20H22F6N4O/c1-29(2)6-5-27-18(31)16-11-30-10-12(3-4-17(30)28-16)13-7-14(19(21,22)23)9-15(8-13)20(24,25)26/h7-9,11-12H,3-6,10H2,1-2H3,(H,27,31)/t12-/m1/s1.
What are the key properties of (6S)-6-[3,5-bis(trifluoromethyl)phenyl]-N-[2-(dimethylamino)ethyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxamide?
(6S)-6-[3,5-bis(trifluoromethyl)phenyl]-N-[2-(dimethylamino)ethyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxamide has a molecular weight of 448.41 g/mol, XLogP of 3.94, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-6-[3,5-bis(trifluoromethyl)phenyl]-N-[2-(dimethylamino)ethyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxamide is sourced from PubChem (CID 93013368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).