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

C19H22F3N3O — CID 93013088

IUPAC(6S)-N-[(2R)-butan-2-yl]-6-[3-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxamide
SMILESCC[C@@H](C)NC(=O)c1cn2c(n1)CC[C@@H](c1cccc(C(F)(F)F)c1)C2
InChIInChI=1S/C19H22F3N3O/c1-3-12(2)23-18(26)16-11-25-10-14(7-8-17(25)24-16)13-5-4-6-15(9-13)19(20,21)22/h4-6,9,11-12,14H,3,7-8,10H2,1-2H3,(H,23,26)/t12-,14-/m1/s1
InChIKeyAWHMUXVHZDOUPR-TZMCWYRMSA-N
MW365.40 g/mol
LogP4.16
Rot. Bonds4

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

(6S)-N-[(2R)-butan-2-yl]-6-[3-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxamide (PubChem CID 93013088) has the molecular formula C19H22F3N3O and a molecular weight of 365.40 g/mol. Its IUPAC name is (6S)-N-[(2R)-butan-2-yl]-6-[3-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxamide.

Molecular Properties

Compound Name(6S)-N-[(2R)-butan-2-yl]-6-[3-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxamide
PubChem CID93013088
Molecular FormulaC19H22F3N3O
Molecular Weight365.40 g/mol
Exact Mass365.17
IUPAC Name(6S)-N-[(2R)-butan-2-yl]-6-[3-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxamide
SMILESCC[C@@H](C)NC(=O)c1cn2c(n1)CC[C@@H](c1cccc(C(F)(F)F)c1)C2
InChIInChI=1S/C19H22F3N3O/c1-3-12(2)23-18(26)16-11-25-10-14(7-8-17(25)24-16)13-5-4-6-15(9-13)19(20,21)22/h4-6,9,11-12,14H,3,7-8,10H2,1-2H3,(H,23,26)/t12-,14-/m1/s1
InChIKeyAWHMUXVHZDOUPR-TZMCWYRMSA-N
XLogP4.16
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.40
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(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
ethyl 4-[(6R)-6-[3-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carbonyl]piperazine-1-carboxylate
CID 93013112
(6S)-N-[(3R)-2-oxoazepan-3-yl]-6-[3-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxamide
CID 93013114
6-(3-methylphenyl)-N-propyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxamide
CID 46080946
(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-(4-ethylphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl]-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone
CID 42878709
6-(4-ethylphenyl)-N-(3-methylbutan-2-yl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxamide
CID 42878707
(6R)-N-[(1S)-1,2-diphenylethyl]-6-(3-fluorophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxamide
CID 93012989
N-butan-2-yl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxamide
CID 71838087
N-(1,2-diphenylethyl)-6-(3-methoxyphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxamide
CID 46081011
(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
(3S,6R)-N-[(2S)-butan-2-yl]-1-(cyclopropanecarbonyl)-6-[3-(trifluoromethyl)phenyl]piperidine-3-carboxamide
CID 92995078

Frequently Asked Questions

What is the IUPAC name of (6S)-N-[(2R)-butan-2-yl]-6-[3-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxamide?
The IUPAC name of (6S)-N-[(2R)-butan-2-yl]-6-[3-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxamide (CID 93013088) is (6S)-N-[(2R)-butan-2-yl]-6-[3-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxamide.
What is the SMILES notation for (6S)-N-[(2R)-butan-2-yl]-6-[3-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxamide?
The canonical SMILES for (6S)-N-[(2R)-butan-2-yl]-6-[3-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxamide is CC[C@@H](C)NC(=O)c1cn2c(n1)CC[C@@H](c1cccc(C(F)(F)F)c1)C2.
What is the InChIKey of (6S)-N-[(2R)-butan-2-yl]-6-[3-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxamide?
The InChIKey is AWHMUXVHZDOUPR-TZMCWYRMSA-N. The full InChI is InChI=1S/C19H22F3N3O/c1-3-12(2)23-18(26)16-11-25-10-14(7-8-17(25)24-16)13-5-4-6-15(9-13)19(20,21)22/h4-6,9,11-12,14H,3,7-8,10H2,1-2H3,(H,23,26)/t12-,14-/m1/s1.
What are the key properties of (6S)-N-[(2R)-butan-2-yl]-6-[3-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxamide?
(6S)-N-[(2R)-butan-2-yl]-6-[3-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxamide has a molecular weight of 365.40 g/mol, XLogP of 4.16, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-N-[(2R)-butan-2-yl]-6-[3-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxamide is sourced from PubChem (CID 93013088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).