1-[(2S)-4-[4-[3-(6-ethenyl-2-methylquinolin-4-yl)imidazo[1,2-a]pyridin-7-yl]phenyl]-2-methylpiperazin-1-yl]ethanone

C32H31N5O — CID 142306232

IUPAC1-[(2S)-4-[4-[3-(6-ethenyl-2-methylquinolin-4-yl)imidazo[1,2-a]pyridin-7-yl]phenyl]-2-methylpiperazin-1-yl]ethanone
SMILESC=Cc1ccc2nc(C)cc(-c3cnc4cc(-c5ccc(N6CCN(C(C)=O)[C@@H](C)C6)cc5)ccn34)c2c1
InChIInChI=1S/C32H31N5O/c1-5-24-6-11-30-28(17-24)29(16-21(2)34-30)31-19-33-32-18-26(12-13-37(31)32)25-7-9-27(10-8-25)35-14-15-36(23(4)38)22(3)20-35/h5-13,16-19,22H,1,14-15,20H2,2-4H3/t22-/m0/s1
InChIKeyGGPGFDRJPXUQPW-QFIPXVFZSA-N
MW501.63 g/mol
LogP6.22
Rot. Bonds4

About 1-[(2S)-4-[4-[3-(6-ethenyl-2-methylquinolin-4-yl)imidazo[1,2-a]pyridin-7-yl]phenyl]-2-methylpiperazin-1-yl]ethanone

1-[(2S)-4-[4-[3-(6-ethenyl-2-methylquinolin-4-yl)imidazo[1,2-a]pyridin-7-yl]phenyl]-2-methylpiperazin-1-yl]ethanone (PubChem CID 142306232) has the molecular formula C32H31N5O and a molecular weight of 501.63 g/mol. Its IUPAC name is 1-[(2S)-4-[4-[3-(6-ethenyl-2-methylquinolin-4-yl)imidazo[1,2-a]pyridin-7-yl]phenyl]-2-methylpiperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-[(2S)-4-[4-[3-(6-ethenyl-2-methylquinolin-4-yl)imidazo[1,2-a]pyridin-7-yl]phenyl]-2-methylpiperazin-1-yl]ethanone
PubChem CID142306232
Molecular FormulaC32H31N5O
Molecular Weight501.63 g/mol
Exact Mass501.25
IUPAC Name1-[(2S)-4-[4-[3-(6-ethenyl-2-methylquinolin-4-yl)imidazo[1,2-a]pyridin-7-yl]phenyl]-2-methylpiperazin-1-yl]ethanone
SMILESC=Cc1ccc2nc(C)cc(-c3cnc4cc(-c5ccc(N6CCN(C(C)=O)[C@@H](C)C6)cc5)ccn34)c2c1
InChIInChI=1S/C32H31N5O/c1-5-24-6-11-30-28(17-24)29(16-21(2)34-30)31-19-33-32-18-26(12-13-37(31)32)25-7-9-27(10-8-25)35-14-15-36(23(4)38)22(3)20-35/h5-13,16-19,22H,1,14-15,20H2,2-4H3/t22-/m0/s1
InChIKeyGGPGFDRJPXUQPW-QFIPXVFZSA-N
XLogP6.22
TPSA53.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500501.63
LogP ≤ 56.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-[(2S)-4-[4-[3-(6-ethenyl-2-methylquinolin-4-yl)imidazo[1,2-a]pyridin-7-yl]phenyl]-2-methylpiperazin-1-yl]ethanone with MolForge

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Related Compounds

6-fluoro-2-methyl-4-[7-(4-piperazin-1-ylphenyl)imidazo[1,2-a]pyridin-3-yl]quinoline
CID 139326665
2-methyl-4-[7-(4-piperazin-1-ylphenyl)imidazo[1,2-a]pyridin-3-yl]quinoline
CID 139326669
2,7-dimethyl-4-[7-(4-piperazin-1-ylphenyl)imidazo[1,2-a]pyridin-3-yl]quinoline
CID 134356888
1-[4-[4-(3-quinolin-5-ylimidazo[1,2-a]pyridin-7-yl)phenyl]piperazin-1-yl]ethanone
CID 139326849
6,8-difluoro-2-methyl-4-[7-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]imidazo[1,2-a]pyridin-3-yl]quinoline
CID 139326676
3-[4-[3-(6-fluoro-2-methylquinolin-4-yl)imidazo[1,2-a]pyridin-7-yl]phenyl]-5-methylmorpholine
CID 139495369
1-[4-[4-(3-thieno[2,3-b]pyridin-3-ylimidazo[1,2-a]pyridin-7-yl)phenyl]piperazin-1-yl]ethanone
CID 139326852
4-[7-[4-(7-azaspiro[3.5]nonan-7-yl)phenyl]imidazo[1,2-a]pyridin-3-yl]-8-fluoro-2,6-dimethylquinoline
CID 158623883
4-[7-[6-(4-ethyl-3,3-dimethylpiperazin-1-yl)-3-pyridinyl]imidazo[1,2-a]pyridin-3-yl]-2-methylquinoline
CID 134356939
4-[7-[4-(3,3-dimethylpiperazin-1-yl)phenyl]imidazo[1,2-a]pyridin-3-yl]-8-fluoro-2,6-dimethylquinoline
CID 161401798
4-[7-[4-(2,7-diazaspiro[3.5]nonan-2-yl)phenyl]imidazo[1,2-a]pyridin-3-yl]-6,8-difluoro-2-methylquinoline
CID 139495359
3-(4-fluorophenyl)-7-[4-(4-methylpiperazin-1-yl)phenyl]imidazo[1,2-a]pyridine
CID 56973461

Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-4-[4-[3-(6-ethenyl-2-methylquinolin-4-yl)imidazo[1,2-a]pyridin-7-yl]phenyl]-2-methylpiperazin-1-yl]ethanone?
The IUPAC name of 1-[(2S)-4-[4-[3-(6-ethenyl-2-methylquinolin-4-yl)imidazo[1,2-a]pyridin-7-yl]phenyl]-2-methylpiperazin-1-yl]ethanone (CID 142306232) is 1-[(2S)-4-[4-[3-(6-ethenyl-2-methylquinolin-4-yl)imidazo[1,2-a]pyridin-7-yl]phenyl]-2-methylpiperazin-1-yl]ethanone.
What is the SMILES notation for 1-[(2S)-4-[4-[3-(6-ethenyl-2-methylquinolin-4-yl)imidazo[1,2-a]pyridin-7-yl]phenyl]-2-methylpiperazin-1-yl]ethanone?
The canonical SMILES for 1-[(2S)-4-[4-[3-(6-ethenyl-2-methylquinolin-4-yl)imidazo[1,2-a]pyridin-7-yl]phenyl]-2-methylpiperazin-1-yl]ethanone is C=Cc1ccc2nc(C)cc(-c3cnc4cc(-c5ccc(N6CCN(C(C)=O)[C@@H](C)C6)cc5)ccn34)c2c1.
What is the InChIKey of 1-[(2S)-4-[4-[3-(6-ethenyl-2-methylquinolin-4-yl)imidazo[1,2-a]pyridin-7-yl]phenyl]-2-methylpiperazin-1-yl]ethanone?
The InChIKey is GGPGFDRJPXUQPW-QFIPXVFZSA-N. The full InChI is InChI=1S/C32H31N5O/c1-5-24-6-11-30-28(17-24)29(16-21(2)34-30)31-19-33-32-18-26(12-13-37(31)32)25-7-9-27(10-8-25)35-14-15-36(23(4)38)22(3)20-35/h5-13,16-19,22H,1,14-15,20H2,2-4H3/t22-/m0/s1.
What are the key properties of 1-[(2S)-4-[4-[3-(6-ethenyl-2-methylquinolin-4-yl)imidazo[1,2-a]pyridin-7-yl]phenyl]-2-methylpiperazin-1-yl]ethanone?
1-[(2S)-4-[4-[3-(6-ethenyl-2-methylquinolin-4-yl)imidazo[1,2-a]pyridin-7-yl]phenyl]-2-methylpiperazin-1-yl]ethanone has a molecular weight of 501.63 g/mol, XLogP of 6.22, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-4-[4-[3-(6-ethenyl-2-methylquinolin-4-yl)imidazo[1,2-a]pyridin-7-yl]phenyl]-2-methylpiperazin-1-yl]ethanone is sourced from PubChem (CID 142306232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).