4-[1-[6-[4-(4-acetylpiperazin-1-yl)-3-methoxyphenyl]-3-cyclopropylimidazo[4,5-c]pyridin-4-yl]oxyethyl]pyrrolidin-2-one

C28H34N6O4 — CID 123899629

IUPAC4-[1-[6-[4-(4-acetylpiperazin-1-yl)-3-methoxyphenyl]-3-cyclopropylimidazo[4,5-c]pyridin-4-yl]oxyethyl]pyrrolidin-2-one
SMILESCOc1cc(-c2cc3ncn(C4CC4)c3c(OC(C)C3CNC(=O)C3)n2)ccc1N1CCN(C(C)=O)CC1
InChIInChI=1S/C28H34N6O4/c1-17(20-13-26(36)29-15-20)38-28-27-23(30-16-34(27)21-5-6-21)14-22(31-28)19-4-7-24(25(12-19)37-3)33-10-8-32(9-11-33)18(2)35/h4,7,12,14,16-17,20-21H,5-6,8-11,13,15H2,1-3H3,(H,29,36)
InChIKeyDAIPJSLUUXNVED-UHFFFAOYSA-N
MW518.62 g/mol
LogP3.01
Rot. Bonds7

About 4-[1-[6-[4-(4-acetylpiperazin-1-yl)-3-methoxyphenyl]-3-cyclopropylimidazo[4,5-c]pyridin-4-yl]oxyethyl]pyrrolidin-2-one

4-[1-[6-[4-(4-acetylpiperazin-1-yl)-3-methoxyphenyl]-3-cyclopropylimidazo[4,5-c]pyridin-4-yl]oxyethyl]pyrrolidin-2-one (PubChem CID 123899629) has the molecular formula C28H34N6O4 and a molecular weight of 518.62 g/mol. Its IUPAC name is 4-[1-[6-[4-(4-acetylpiperazin-1-yl)-3-methoxyphenyl]-3-cyclopropylimidazo[4,5-c]pyridin-4-yl]oxyethyl]pyrrolidin-2-one.

Molecular Properties

Compound Name4-[1-[6-[4-(4-acetylpiperazin-1-yl)-3-methoxyphenyl]-3-cyclopropylimidazo[4,5-c]pyridin-4-yl]oxyethyl]pyrrolidin-2-one
PubChem CID123899629
Molecular FormulaC28H34N6O4
Molecular Weight518.62 g/mol
Exact Mass518.26
IUPAC Name4-[1-[6-[4-(4-acetylpiperazin-1-yl)-3-methoxyphenyl]-3-cyclopropylimidazo[4,5-c]pyridin-4-yl]oxyethyl]pyrrolidin-2-one
SMILESCOc1cc(-c2cc3ncn(C4CC4)c3c(OC(C)C3CNC(=O)C3)n2)ccc1N1CCN(C(C)=O)CC1
InChIInChI=1S/C28H34N6O4/c1-17(20-13-26(36)29-15-20)38-28-27-23(30-16-34(27)21-5-6-21)14-22(31-28)19-4-7-24(25(12-19)37-3)33-10-8-32(9-11-33)18(2)35/h4,7,12,14,16-17,20-21H,5-6,8-11,13,15H2,1-3H3,(H,29,36)
InChIKeyDAIPJSLUUXNVED-UHFFFAOYSA-N
XLogP3.01
TPSA101.82 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500518.62
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 4-[1-[6-[4-(4-acetylpiperazin-1-yl)-3-methoxyphenyl]-3-cyclopropylimidazo[4,5-c]pyridin-4-yl]oxyethyl]pyrrolidin-2-one with MolForge

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Related Compounds

(4R)-4-[(1R)-1-[3-cyclopropyl-6-(3-methoxy-4-piperazin-1-ylphenyl)imidazo[4,5-c]pyridin-4-yl]oxyethyl]pyrrolidin-2-one;2,2,2-trifluoroacetic acid
CID 162323720
4-[1-[3-cyclopropyl-6-[3-fluoro-4-(4-methylsulfonylpiperazin-1-yl)phenyl]imidazo[4,5-c]pyridin-4-yl]oxyethyl]pyrrolidin-2-one
CID 123475365
4-[1-[3-cyclopropyl-6-[3-fluoro-4-[4-(oxetan-3-yl)piperazin-1-yl]phenyl]imidazo[4,5-c]pyridin-4-yl]oxyethyl]pyrrolidin-2-one
CID 123826159
4-[1-[3-cyclopropyl-6-[4-[4-(2,2-difluoroethyl)piperazin-1-yl]phenyl]imidazo[4,5-c]pyridin-4-yl]oxyethyl]pyrrolidin-2-one
CID 123712243
4-[1-[6-(1,3-benzothiazol-6-yl)-3-cyclopropylimidazo[4,5-c]pyridin-4-yl]oxyethyl]pyrrolidin-2-one
CID 123702258
6-[3-cyclopropyl-4-[(1R)-1-[(3R)-5-oxopyrrolidin-3-yl]ethoxy]imidazo[4,5-c]pyridin-6-yl]-1H-indole-2,3-dione;6'-[3-cyclopropyl-4-[(1R)-1-[(3R)-5-oxopyrrolidin-3-yl]ethoxy]imidazo[4,5-c]pyridin-6-yl]spiro[1,3-dioxolane-2,3'-1H-indole]-2'-one
CID 158164462
4-[1-[3-methyl-6-[4-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]imidazo[4,5-c]pyridin-4-yl]oxyethyl]pyrrolidin-2-one
CID 123432561
(4R)-4-[(1R)-1-[6-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]-3-methylimidazo[4,5-c]pyridin-4-yl]oxyethyl]pyrrolidin-2-one;(4R)-4-[(1R)-1-[3-methyl-6-(5-piperazin-1-yl-2-pyridinyl)imidazo[4,5-c]pyridin-4-yl]oxyethyl]pyrrolidin-2-one
CID 158572334
3-cyclopropyl-6-(4-ethoxy-3-methoxyphenyl)-4-[(1R)-1-[(3R)-pyrrolidin-3-yl]ethoxy]imidazo[4,5-c]pyridine
CID 135157738
4-[1-[6-(3,4-dimethoxyphenyl)-2,3-dimethylimidazo[4,5-c]pyridin-4-yl]oxyethyl]pyrrolidin-2-one
CID 123591299
4-[1-[6-(3,4-dimethoxyphenyl)-2-methyl-3-propan-2-ylimidazo[4,5-c]pyridin-4-yl]oxyethyl]pyrrolidin-2-one
CID 123901063
tert-butyl 6'-[3-cyclopropyl-4-[(1R)-1-[(3R)-5-oxopyrrolidin-3-yl]ethoxy]imidazo[4,5-c]pyridin-6-yl]-1'-methyl-2'-oxospiro[azetidine-3,3'-indole]-1-carboxylate;tert-butyl 1'-methyl-2'-oxo-6'-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)spiro[azetidine-3,3'-indole]-1-carboxylate
CID 160617813

Frequently Asked Questions

What is the IUPAC name of 4-[1-[6-[4-(4-acetylpiperazin-1-yl)-3-methoxyphenyl]-3-cyclopropylimidazo[4,5-c]pyridin-4-yl]oxyethyl]pyrrolidin-2-one?
The IUPAC name of 4-[1-[6-[4-(4-acetylpiperazin-1-yl)-3-methoxyphenyl]-3-cyclopropylimidazo[4,5-c]pyridin-4-yl]oxyethyl]pyrrolidin-2-one (CID 123899629) is 4-[1-[6-[4-(4-acetylpiperazin-1-yl)-3-methoxyphenyl]-3-cyclopropylimidazo[4,5-c]pyridin-4-yl]oxyethyl]pyrrolidin-2-one.
What is the SMILES notation for 4-[1-[6-[4-(4-acetylpiperazin-1-yl)-3-methoxyphenyl]-3-cyclopropylimidazo[4,5-c]pyridin-4-yl]oxyethyl]pyrrolidin-2-one?
The canonical SMILES for 4-[1-[6-[4-(4-acetylpiperazin-1-yl)-3-methoxyphenyl]-3-cyclopropylimidazo[4,5-c]pyridin-4-yl]oxyethyl]pyrrolidin-2-one is COc1cc(-c2cc3ncn(C4CC4)c3c(OC(C)C3CNC(=O)C3)n2)ccc1N1CCN(C(C)=O)CC1.
What is the InChIKey of 4-[1-[6-[4-(4-acetylpiperazin-1-yl)-3-methoxyphenyl]-3-cyclopropylimidazo[4,5-c]pyridin-4-yl]oxyethyl]pyrrolidin-2-one?
The InChIKey is DAIPJSLUUXNVED-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H34N6O4/c1-17(20-13-26(36)29-15-20)38-28-27-23(30-16-34(27)21-5-6-21)14-22(31-28)19-4-7-24(25(12-19)37-3)33-10-8-32(9-11-33)18(2)35/h4,7,12,14,16-17,20-21H,5-6,8-11,13,15H2,1-3H3,(H,29,36).
What are the key properties of 4-[1-[6-[4-(4-acetylpiperazin-1-yl)-3-methoxyphenyl]-3-cyclopropylimidazo[4,5-c]pyridin-4-yl]oxyethyl]pyrrolidin-2-one?
4-[1-[6-[4-(4-acetylpiperazin-1-yl)-3-methoxyphenyl]-3-cyclopropylimidazo[4,5-c]pyridin-4-yl]oxyethyl]pyrrolidin-2-one has a molecular weight of 518.62 g/mol, XLogP of 3.01, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[6-[4-(4-acetylpiperazin-1-yl)-3-methoxyphenyl]-3-cyclopropylimidazo[4,5-c]pyridin-4-yl]oxyethyl]pyrrolidin-2-one is sourced from PubChem (CID 123899629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).