[(6S)-6-(4-phenoxyphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl]-pyrrolidin-1-ylmethanone

C24H25N3O2 — CID 93013241

IUPAC[(6S)-6-(4-phenoxyphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl]-pyrrolidin-1-ylmethanone
SMILESO=C(c1cn2c(n1)CC[C@@H](c1ccc(Oc3ccccc3)cc1)C2)N1CCCC1
InChIInChI=1S/C24H25N3O2/c28-24(26-14-4-5-15-26)22-17-27-16-19(10-13-23(27)25-22)18-8-11-21(12-9-18)29-20-6-2-1-3-7-20/h1-3,6-9,11-12,17,19H,4-5,10,13-16H2/t19-/m1/s1
InChIKeyTZUGGYIBZBVWEM-LJQANCHMSA-N
MW387.48 g/mol
LogP4.64
Rot. Bonds4

About [(6S)-6-(4-phenoxyphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl]-pyrrolidin-1-ylmethanone

[(6S)-6-(4-phenoxyphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl]-pyrrolidin-1-ylmethanone (PubChem CID 93013241) has the molecular formula C24H25N3O2 and a molecular weight of 387.48 g/mol. Its IUPAC name is [(6S)-6-(4-phenoxyphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[(6S)-6-(4-phenoxyphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl]-pyrrolidin-1-ylmethanone
PubChem CID93013241
Molecular FormulaC24H25N3O2
Molecular Weight387.48 g/mol
Exact Mass387.19
IUPAC Name[(6S)-6-(4-phenoxyphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl]-pyrrolidin-1-ylmethanone
SMILESO=C(c1cn2c(n1)CC[C@@H](c1ccc(Oc3ccccc3)cc1)C2)N1CCCC1
InChIInChI=1S/C24H25N3O2/c28-24(26-14-4-5-15-26)22-17-27-16-19(10-13-23(27)25-22)18-8-11-21(12-9-18)29-20-6-2-1-3-7-20/h1-3,6-9,11-12,17,19H,4-5,10,13-16H2/t19-/m1/s1
InChIKeyTZUGGYIBZBVWEM-LJQANCHMSA-N
XLogP4.64
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.48
LogP ≤ 54.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

6-(4-phenoxyphenyl)-N-propan-2-yl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxamide
CID 46081037
ethyl 4-(6-phenyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carbonyl)piperazine-1-carboxylate
CID 46080879
(6R)-6-(4-phenoxyphenyl)-N-(2-phenylethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxamide
CID 93013243
N-[(4-fluorophenyl)methyl]-6-(4-phenoxyphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxamide
CID 46081047
[6-(4-ethylphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl]-(4-methylpiperidin-1-yl)methanone
CID 42878718
(6S)-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-6-(4-phenoxyphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxamide
CID 93013252
(4-benzhydrylpiperazin-1-yl)-[6-(4-methoxy-3,5-dimethylphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl]methanone
CID 46081124
[(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-(2,4-dimethoxyphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 93013400
3,4-dihydro-1H-isoquinolin-2-yl-[(6S)-6-(2,5-dimethoxyphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl]methanone
CID 93013324
1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[6-(3-methylphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl]methanone
CID 46080951
[6-(4-ethylphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl]-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone
CID 42878709

Frequently Asked Questions

What is the IUPAC name of [(6S)-6-(4-phenoxyphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [(6S)-6-(4-phenoxyphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl]-pyrrolidin-1-ylmethanone (CID 93013241) is [(6S)-6-(4-phenoxyphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [(6S)-6-(4-phenoxyphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [(6S)-6-(4-phenoxyphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl]-pyrrolidin-1-ylmethanone is O=C(c1cn2c(n1)CC[C@@H](c1ccc(Oc3ccccc3)cc1)C2)N1CCCC1.
What is the InChIKey of [(6S)-6-(4-phenoxyphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl]-pyrrolidin-1-ylmethanone?
The InChIKey is TZUGGYIBZBVWEM-LJQANCHMSA-N. The full InChI is InChI=1S/C24H25N3O2/c28-24(26-14-4-5-15-26)22-17-27-16-19(10-13-23(27)25-22)18-8-11-21(12-9-18)29-20-6-2-1-3-7-20/h1-3,6-9,11-12,17,19H,4-5,10,13-16H2/t19-/m1/s1.
What are the key properties of [(6S)-6-(4-phenoxyphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl]-pyrrolidin-1-ylmethanone?
[(6S)-6-(4-phenoxyphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl]-pyrrolidin-1-ylmethanone has a molecular weight of 387.48 g/mol, XLogP of 4.64, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(6S)-6-(4-phenoxyphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 93013241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).