[(2S)-2-(3,4-dimethoxyphenyl)pyrrolidin-1-yl]-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)phenyl]methanone

C27H27N3O4 — CID 51930185

IUPAC[(2S)-2-(3,4-dimethoxyphenyl)pyrrolidin-1-yl]-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)phenyl]methanone
SMILESCOc1ccc([C@@H]2CCCN2C(=O)c2cccc(OCc3cn4ccccc4n3)c2)cc1OC
InChIInChI=1S/C27H27N3O4/c1-32-24-12-11-19(16-25(24)33-2)23-9-6-14-30(23)27(31)20-7-5-8-22(15-20)34-18-21-17-29-13-4-3-10-26(29)28-21/h3-5,7-8,10-13,15-17,23H,6,9,14,18H2,1-2H3/t23-/m0/s1
InChIKeyKIORSNGQMQBGHS-QHCPKHFHSA-N
MW457.53 g/mol
LogP4.91
Rot. Bonds7

About [(2S)-2-(3,4-dimethoxyphenyl)pyrrolidin-1-yl]-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)phenyl]methanone

[(2S)-2-(3,4-dimethoxyphenyl)pyrrolidin-1-yl]-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)phenyl]methanone (PubChem CID 51930185) has the molecular formula C27H27N3O4 and a molecular weight of 457.53 g/mol. Its IUPAC name is [(2S)-2-(3,4-dimethoxyphenyl)pyrrolidin-1-yl]-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)phenyl]methanone.

Molecular Properties

Compound Name[(2S)-2-(3,4-dimethoxyphenyl)pyrrolidin-1-yl]-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)phenyl]methanone
PubChem CID51930185
Molecular FormulaC27H27N3O4
Molecular Weight457.53 g/mol
Exact Mass457.20
IUPAC Name[(2S)-2-(3,4-dimethoxyphenyl)pyrrolidin-1-yl]-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)phenyl]methanone
SMILESCOc1ccc([C@@H]2CCCN2C(=O)c2cccc(OCc3cn4ccccc4n3)c2)cc1OC
InChIInChI=1S/C27H27N3O4/c1-32-24-12-11-19(16-25(24)33-2)23-9-6-14-30(23)27(31)20-7-5-8-22(15-20)34-18-21-17-29-13-4-3-10-26(29)28-21/h3-5,7-8,10-13,15-17,23H,6,9,14,18H2,1-2H3/t23-/m0/s1
InChIKeyKIORSNGQMQBGHS-QHCPKHFHSA-N
XLogP4.91
TPSA65.30 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.53
LogP ≤ 54.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[(2R)-2-(3,4-dimethoxyphenyl)pyrrolidin-1-yl]-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)phenyl]methanone
CID 51930186
(2R)-1-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)benzoyl]pyrrolidine-2-carboxylic acid
CID 119371541
(3,4-dimethoxyphenyl)-[2-(3,4-dimethoxyphenyl)pyrrolidin-1-yl]methanone
CID 18147684
cyclobutyl-[4-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)benzoyl]piperazin-1-yl]methanone
CID 56512574
[(3S)-3-[(1S)-1-aminoethyl]piperidin-1-yl]-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)phenyl]methanone
CID 124691184
[3-[(6-methylimidazo[1,2-a]pyridin-2-yl)methoxy]phenyl]-[2-(1-methylpyrrol-2-yl)pyrrolidin-1-yl]methanone
CID 112812285
[3-(1-aminoethyl)piperidin-1-yl]-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)phenyl]methanone;dihydrochloride
CID 119594920
[4-(3,4-dimethylphenoxy)piperidin-1-yl]-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)phenyl]methanone
CID 55859064
3-(imidazo[1,2-a]pyridin-2-ylmethoxy)benzoate
CID 7063876
3-(imidazo[1,2-a]pyridin-2-ylmethoxy)benzenecarbothioamide
CID 24701418
[2-ethyl-2-(hydroxymethyl)pyrrolidin-1-yl]-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)phenyl]methanone
CID 126791881
[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)phenyl]methanone
CID 120659116

Frequently Asked Questions

What is the IUPAC name of [(2S)-2-(3,4-dimethoxyphenyl)pyrrolidin-1-yl]-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)phenyl]methanone?
The IUPAC name of [(2S)-2-(3,4-dimethoxyphenyl)pyrrolidin-1-yl]-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)phenyl]methanone (CID 51930185) is [(2S)-2-(3,4-dimethoxyphenyl)pyrrolidin-1-yl]-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)phenyl]methanone.
What is the SMILES notation for [(2S)-2-(3,4-dimethoxyphenyl)pyrrolidin-1-yl]-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)phenyl]methanone?
The canonical SMILES for [(2S)-2-(3,4-dimethoxyphenyl)pyrrolidin-1-yl]-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)phenyl]methanone is COc1ccc([C@@H]2CCCN2C(=O)c2cccc(OCc3cn4ccccc4n3)c2)cc1OC.
What is the InChIKey of [(2S)-2-(3,4-dimethoxyphenyl)pyrrolidin-1-yl]-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)phenyl]methanone?
The InChIKey is KIORSNGQMQBGHS-QHCPKHFHSA-N. The full InChI is InChI=1S/C27H27N3O4/c1-32-24-12-11-19(16-25(24)33-2)23-9-6-14-30(23)27(31)20-7-5-8-22(15-20)34-18-21-17-29-13-4-3-10-26(29)28-21/h3-5,7-8,10-13,15-17,23H,6,9,14,18H2,1-2H3/t23-/m0/s1.
What are the key properties of [(2S)-2-(3,4-dimethoxyphenyl)pyrrolidin-1-yl]-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)phenyl]methanone?
[(2S)-2-(3,4-dimethoxyphenyl)pyrrolidin-1-yl]-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)phenyl]methanone has a molecular weight of 457.53 g/mol, XLogP of 4.91, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-2-(3,4-dimethoxyphenyl)pyrrolidin-1-yl]-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)phenyl]methanone is sourced from PubChem (CID 51930185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).