(3R)-3-(3-methoxyphenyl)-3-[(5S)-5-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl]-1-pyrrolidin-1-ylpropan-1-one

C22H29N3O2 — CID 93018653

IUPAC(3R)-3-(3-methoxyphenyl)-3-[(5S)-5-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl]-1-pyrrolidin-1-ylpropan-1-one
SMILESCOc1cccc([C@@H](CC(=O)N2CCCC2)c2cnc3n2[C@@H](C)CCC3)c1
InChIInChI=1S/C22H29N3O2/c1-16-7-5-10-21-23-15-20(25(16)21)19(14-22(26)24-11-3-4-12-24)17-8-6-9-18(13-17)27-2/h6,8-9,13,15-16,19H,3-5,7,10-12,14H2,1-2H3/t16-,19+/m0/s1
InChIKeyWIWIOFPDSYMZIQ-QFBILLFUSA-N
MW367.49 g/mol
LogP3.93
Rot. Bonds5

About (3R)-3-(3-methoxyphenyl)-3-[(5S)-5-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl]-1-pyrrolidin-1-ylpropan-1-one

(3R)-3-(3-methoxyphenyl)-3-[(5S)-5-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl]-1-pyrrolidin-1-ylpropan-1-one (PubChem CID 93018653) has the molecular formula C22H29N3O2 and a molecular weight of 367.49 g/mol. Its IUPAC name is (3R)-3-(3-methoxyphenyl)-3-[(5S)-5-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl]-1-pyrrolidin-1-ylpropan-1-one.

Molecular Properties

Compound Name(3R)-3-(3-methoxyphenyl)-3-[(5S)-5-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl]-1-pyrrolidin-1-ylpropan-1-one
PubChem CID93018653
Molecular FormulaC22H29N3O2
Molecular Weight367.49 g/mol
Exact Mass367.23
IUPAC Name(3R)-3-(3-methoxyphenyl)-3-[(5S)-5-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl]-1-pyrrolidin-1-ylpropan-1-one
SMILESCOc1cccc([C@@H](CC(=O)N2CCCC2)c2cnc3n2[C@@H](C)CCC3)c1
InChIInChI=1S/C22H29N3O2/c1-16-7-5-10-21-23-15-20(25(16)21)19(14-22(26)24-11-3-4-12-24)17-8-6-9-18(13-17)27-2/h6,8-9,13,15-16,19H,3-5,7,10-12,14H2,1-2H3/t16-,19+/m0/s1
InChIKeyWIWIOFPDSYMZIQ-QFBILLFUSA-N
XLogP3.93
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.49
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (3R)-3-(3-methoxyphenyl)-3-[(5S)-5-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl]-1-pyrrolidin-1-ylpropan-1-one 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

(3R)-3-(3-methoxyphenyl)-1-pyrrolidin-1-yl-3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)propan-1-one
CID 93018951
(3S)-3-(3-methoxyphenyl)-N-(2-methylpropyl)-3-[(5S)-5-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl]propanamide
CID 93018642
3-(3-methoxyphenyl)-3-(7-methylimidazo[1,2-a]pyridin-3-yl)-1-(4-methylpiperidin-1-yl)propan-1-one
CID 3311606
1-[3-(3-methoxyphenyl)butanoyl]piperidine-4-carboxamide
CID 110675703
1-[3-(1-aminoethyl)piperidin-1-yl]-3-(3-methoxyphenyl)butan-1-one
CID 119595798
1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-(3-methoxyphenyl)-3-(8-methylimidazo[1,2-a]pyridin-3-yl)propan-1-one
CID 42783571
ethyl 1-[3-(3-methoxyphenyl)butanoyl]piperidine-4-carboxylate
CID 110675706
1-[4-[1-(3-methoxyphenyl)ethyl]piperazin-1-yl]-2-(methylamino)ethanone;hydrochloride
CID 120704346
1-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-3-(2-hydroxy-4,6-dimethoxyphenyl)-3-(3-methoxyphenyl)propan-1-one
CID 71540858
1-[4-(cyclopropylmethylamino)piperidin-1-yl]-3-(3-methoxyphenyl)butan-1-one;hydrochloride
CID 119624500
3-(3-methoxyphenyl)-1-piperazin-1-ylbutan-1-one
CID 82090911
1-[(3R)-3-(3-methoxyphenyl)piperidin-1-yl]propan-1-one
CID 10753027

Frequently Asked Questions

What is the IUPAC name of (3R)-3-(3-methoxyphenyl)-3-[(5S)-5-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl]-1-pyrrolidin-1-ylpropan-1-one?
The IUPAC name of (3R)-3-(3-methoxyphenyl)-3-[(5S)-5-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl]-1-pyrrolidin-1-ylpropan-1-one (CID 93018653) is (3R)-3-(3-methoxyphenyl)-3-[(5S)-5-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl]-1-pyrrolidin-1-ylpropan-1-one.
What is the SMILES notation for (3R)-3-(3-methoxyphenyl)-3-[(5S)-5-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl]-1-pyrrolidin-1-ylpropan-1-one?
The canonical SMILES for (3R)-3-(3-methoxyphenyl)-3-[(5S)-5-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl]-1-pyrrolidin-1-ylpropan-1-one is COc1cccc([C@@H](CC(=O)N2CCCC2)c2cnc3n2[C@@H](C)CCC3)c1.
What is the InChIKey of (3R)-3-(3-methoxyphenyl)-3-[(5S)-5-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl]-1-pyrrolidin-1-ylpropan-1-one?
The InChIKey is WIWIOFPDSYMZIQ-QFBILLFUSA-N. The full InChI is InChI=1S/C22H29N3O2/c1-16-7-5-10-21-23-15-20(25(16)21)19(14-22(26)24-11-3-4-12-24)17-8-6-9-18(13-17)27-2/h6,8-9,13,15-16,19H,3-5,7,10-12,14H2,1-2H3/t16-,19+/m0/s1.
What are the key properties of (3R)-3-(3-methoxyphenyl)-3-[(5S)-5-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl]-1-pyrrolidin-1-ylpropan-1-one?
(3R)-3-(3-methoxyphenyl)-3-[(5S)-5-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl]-1-pyrrolidin-1-ylpropan-1-one has a molecular weight of 367.49 g/mol, XLogP of 3.93, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(3-methoxyphenyl)-3-[(5S)-5-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl]-1-pyrrolidin-1-ylpropan-1-one is sourced from PubChem (CID 93018653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).