(6S)-N-[(1R)-1,2-diphenylethyl]-6-(4-fluorophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxamide

C28H26FN3O — CID 93012968

IUPAC(6S)-N-[(1R)-1,2-diphenylethyl]-6-(4-fluorophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxamide
SMILESO=C(N[C@H](Cc1ccccc1)c1ccccc1)c1cn2c(n1)CC[C@@H](c1ccc(F)cc1)C2
InChIInChI=1S/C28H26FN3O/c29-24-14-11-21(12-15-24)23-13-16-27-30-26(19-32(27)18-23)28(33)31-25(22-9-5-2-6-10-22)17-20-7-3-1-4-8-20/h1-12,14-15,19,23,25H,13,16-18H2,(H,31,33)/t23-,25-/m1/s1
InChIKeyOCWRMHKCFZQGLR-ILBGXUMGSA-N
MW439.53 g/mol
LogP5.47
Rot. Bonds6

About (6S)-N-[(1R)-1,2-diphenylethyl]-6-(4-fluorophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxamide

(6S)-N-[(1R)-1,2-diphenylethyl]-6-(4-fluorophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxamide (PubChem CID 93012968) has the molecular formula C28H26FN3O and a molecular weight of 439.53 g/mol. Its IUPAC name is (6S)-N-[(1R)-1,2-diphenylethyl]-6-(4-fluorophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxamide.

Molecular Properties

Compound Name(6S)-N-[(1R)-1,2-diphenylethyl]-6-(4-fluorophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxamide
PubChem CID93012968
Molecular FormulaC28H26FN3O
Molecular Weight439.53 g/mol
Exact Mass439.21
IUPAC Name(6S)-N-[(1R)-1,2-diphenylethyl]-6-(4-fluorophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxamide
SMILESO=C(N[C@H](Cc1ccccc1)c1ccccc1)c1cn2c(n1)CC[C@@H](c1ccc(F)cc1)C2
InChIInChI=1S/C28H26FN3O/c29-24-14-11-21(12-15-24)23-13-16-27-30-26(19-32(27)18-23)28(33)31-25(22-9-5-2-6-10-22)17-20-7-3-1-4-8-20/h1-12,14-15,19,23,25H,13,16-18H2,(H,31,33)/t23-,25-/m1/s1
InChIKeyOCWRMHKCFZQGLR-ILBGXUMGSA-N
XLogP5.47
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500439.53
LogP ≤ 55.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(6R)-N-[(1S)-1,2-diphenylethyl]-6-(3-fluorophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxamide
CID 93012989
N-(1,2-diphenylethyl)-6-(3-methoxyphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxamide
CID 46081011
(6R)-N-[(4-fluorophenyl)methyl]-6-phenyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxamide
CID 93009766
N-[(4-fluorophenyl)methyl]-6-(4-phenoxyphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxamide
CID 46081047
6-(4-phenoxyphenyl)-N-propan-2-yl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxamide
CID 46081037
(6R)-N-benzyl-6-(2,5-difluorophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxamide
CID 93013212
6-(4-ethylphenyl)-N-(3-methylbutan-2-yl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxamide
CID 42878707
ethyl 6-(4-fluorophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxylate
CID 138646151
(6R)-N-(furan-2-ylmethyl)-6-phenyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxamide
CID 93009686
(6S)-N-pentyl-6-(4-phenoxyphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxamide
CID 93013264
(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

Frequently Asked Questions

What is the IUPAC name of (6S)-N-[(1R)-1,2-diphenylethyl]-6-(4-fluorophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxamide?
The IUPAC name of (6S)-N-[(1R)-1,2-diphenylethyl]-6-(4-fluorophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxamide (CID 93012968) is (6S)-N-[(1R)-1,2-diphenylethyl]-6-(4-fluorophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxamide.
What is the SMILES notation for (6S)-N-[(1R)-1,2-diphenylethyl]-6-(4-fluorophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxamide?
The canonical SMILES for (6S)-N-[(1R)-1,2-diphenylethyl]-6-(4-fluorophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxamide is O=C(N[C@H](Cc1ccccc1)c1ccccc1)c1cn2c(n1)CC[C@@H](c1ccc(F)cc1)C2.
What is the InChIKey of (6S)-N-[(1R)-1,2-diphenylethyl]-6-(4-fluorophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxamide?
The InChIKey is OCWRMHKCFZQGLR-ILBGXUMGSA-N. The full InChI is InChI=1S/C28H26FN3O/c29-24-14-11-21(12-15-24)23-13-16-27-30-26(19-32(27)18-23)28(33)31-25(22-9-5-2-6-10-22)17-20-7-3-1-4-8-20/h1-12,14-15,19,23,25H,13,16-18H2,(H,31,33)/t23-,25-/m1/s1.
What are the key properties of (6S)-N-[(1R)-1,2-diphenylethyl]-6-(4-fluorophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxamide?
(6S)-N-[(1R)-1,2-diphenylethyl]-6-(4-fluorophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxamide has a molecular weight of 439.53 g/mol, XLogP of 5.47, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-N-[(1R)-1,2-diphenylethyl]-6-(4-fluorophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxamide is sourced from PubChem (CID 93012968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).