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

C21H27N3O2 — CID 93018951

IUPAC(3R)-3-(3-methoxyphenyl)-1-pyrrolidin-1-yl-3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)propan-1-one
SMILESCOc1cccc([C@@H](CC(=O)N2CCCC2)c2cnc3n2CCCC3)c1
InChIInChI=1S/C21H27N3O2/c1-26-17-8-6-7-16(13-17)18(14-21(25)23-10-4-5-11-23)19-15-22-20-9-2-3-12-24(19)20/h6-8,13,15,18H,2-5,9-12,14H2,1H3/t18-/m1/s1
InChIKeyXTQQASPNTFYWGY-GOSISDBHSA-N
MW353.47 g/mol
LogP3.37
Rot. Bonds5

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

(3R)-3-(3-methoxyphenyl)-1-pyrrolidin-1-yl-3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)propan-1-one (PubChem CID 93018951) has the molecular formula C21H27N3O2 and a molecular weight of 353.47 g/mol. Its IUPAC name is (3R)-3-(3-methoxyphenyl)-1-pyrrolidin-1-yl-3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)propan-1-one.

Molecular Properties

Compound Name(3R)-3-(3-methoxyphenyl)-1-pyrrolidin-1-yl-3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)propan-1-one
PubChem CID93018951
Molecular FormulaC21H27N3O2
Molecular Weight353.47 g/mol
Exact Mass353.21
IUPAC Name(3R)-3-(3-methoxyphenyl)-1-pyrrolidin-1-yl-3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)propan-1-one
SMILESCOc1cccc([C@@H](CC(=O)N2CCCC2)c2cnc3n2CCCC3)c1
InChIInChI=1S/C21H27N3O2/c1-26-17-8-6-7-16(13-17)18(14-21(25)23-10-4-5-11-23)19-15-22-20-9-2-3-12-24(19)20/h6-8,13,15,18H,2-5,9-12,14H2,1H3/t18-/m1/s1
InChIKeyXTQQASPNTFYWGY-GOSISDBHSA-N
XLogP3.37
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.47
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (3R)-3-(3-methoxyphenyl)-1-pyrrolidin-1-yl-3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)propan-1-one with MolForge

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Related Compounds

(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
3-(3-methoxyphenyl)-3-(7-methylimidazo[1,2-a]pyridin-3-yl)-1-(4-methylpiperidin-1-yl)propan-1-one
CID 3311606
(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
1-[4-[1-(3-methoxyphenyl)ethyl]piperazin-1-yl]-2-(methylamino)ethanone;hydrochloride
CID 120704346
3-(3-methoxyphenyl)-1-piperazin-1-ylbutan-1-one
CID 82090911
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
3-amino-1-[4-[1-(3-methoxyphenyl)ethyl]piperazin-1-yl]butan-1-one;dihydrochloride
CID 119877620
1-[3-(3-methoxyphenyl)butanoyl]piperidine-4-carboxamide
CID 110675703
(1S)-1-(3-methoxyphenyl)-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)ethanamine
CID 107077690
2-[3-[(1R)-1-aminoethyl]phenoxy]-1-pyrrolidin-1-ylethanone
CID 30118492
(3S)-3-(1-methylindol-3-yl)-3-(3-phenylmethoxyphenyl)-1-pyrrolidin-1-ylpropan-1-one
CID 93064354
ethyl 1-[3-(3-methoxyphenyl)butanoyl]piperidine-4-carboxylate
CID 110675706

Frequently Asked Questions

What is the IUPAC name of (3R)-3-(3-methoxyphenyl)-1-pyrrolidin-1-yl-3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)propan-1-one?
The IUPAC name of (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) is (3R)-3-(3-methoxyphenyl)-1-pyrrolidin-1-yl-3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)propan-1-one.
What is the SMILES notation for (3R)-3-(3-methoxyphenyl)-1-pyrrolidin-1-yl-3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)propan-1-one?
The canonical SMILES for (3R)-3-(3-methoxyphenyl)-1-pyrrolidin-1-yl-3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)propan-1-one is COc1cccc([C@@H](CC(=O)N2CCCC2)c2cnc3n2CCCC3)c1.
What is the InChIKey of (3R)-3-(3-methoxyphenyl)-1-pyrrolidin-1-yl-3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)propan-1-one?
The InChIKey is XTQQASPNTFYWGY-GOSISDBHSA-N. The full InChI is InChI=1S/C21H27N3O2/c1-26-17-8-6-7-16(13-17)18(14-21(25)23-10-4-5-11-23)19-15-22-20-9-2-3-12-24(19)20/h6-8,13,15,18H,2-5,9-12,14H2,1H3/t18-/m1/s1.
What are the key properties of (3R)-3-(3-methoxyphenyl)-1-pyrrolidin-1-yl-3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)propan-1-one?
(3R)-3-(3-methoxyphenyl)-1-pyrrolidin-1-yl-3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)propan-1-one has a molecular weight of 353.47 g/mol, XLogP of 3.37, 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)-1-pyrrolidin-1-yl-3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)propan-1-one is sourced from PubChem (CID 93018951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).