4-[7-[6-(4-ethyl-3,3-dimethylpiperazin-1-yl)-3-pyridinyl]imidazo[1,2-a]pyridin-3-yl]-2-methylquinoline

C30H32N6 — CID 134356939

IUPAC4-[7-[6-(4-ethyl-3,3-dimethylpiperazin-1-yl)-3-pyridinyl]imidazo[1,2-a]pyridin-3-yl]-2-methylquinoline
SMILESCCN1CCN(c2ccc(-c3ccn4c(-c5cc(C)nc6ccccc56)cnc4c3)cn2)CC1(C)C
InChIInChI=1S/C30H32N6/c1-5-35-15-14-34(20-30(35,3)4)28-11-10-23(18-31-28)22-12-13-36-27(19-32-29(36)17-22)25-16-21(2)33-26-9-7-6-8-24(25)26/h6-13,16-19H,5,14-15,20H2,1-4H3
InChIKeyLPRDVJPKLRNUFE-UHFFFAOYSA-N
MW476.63 g/mol
LogP5.84
Rot. Bonds4

About 4-[7-[6-(4-ethyl-3,3-dimethylpiperazin-1-yl)-3-pyridinyl]imidazo[1,2-a]pyridin-3-yl]-2-methylquinoline

4-[7-[6-(4-ethyl-3,3-dimethylpiperazin-1-yl)-3-pyridinyl]imidazo[1,2-a]pyridin-3-yl]-2-methylquinoline (PubChem CID 134356939) has the molecular formula C30H32N6 and a molecular weight of 476.63 g/mol. Its IUPAC name is 4-[7-[6-(4-ethyl-3,3-dimethylpiperazin-1-yl)-3-pyridinyl]imidazo[1,2-a]pyridin-3-yl]-2-methylquinoline.

Molecular Properties

Compound Name4-[7-[6-(4-ethyl-3,3-dimethylpiperazin-1-yl)-3-pyridinyl]imidazo[1,2-a]pyridin-3-yl]-2-methylquinoline
PubChem CID134356939
Molecular FormulaC30H32N6
Molecular Weight476.63 g/mol
Exact Mass476.27
IUPAC Name4-[7-[6-(4-ethyl-3,3-dimethylpiperazin-1-yl)-3-pyridinyl]imidazo[1,2-a]pyridin-3-yl]-2-methylquinoline
SMILESCCN1CCN(c2ccc(-c3ccn4c(-c5cc(C)nc6ccccc56)cnc4c3)cn2)CC1(C)C
InChIInChI=1S/C30H32N6/c1-5-35-15-14-34(20-30(35,3)4)28-11-10-23(18-31-28)22-12-13-36-27(19-32-29(36)17-22)25-16-21(2)33-26-9-7-6-8-24(25)26/h6-13,16-19H,5,14-15,20H2,1-4H3
InChIKeyLPRDVJPKLRNUFE-UHFFFAOYSA-N
XLogP5.84
TPSA49.56 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500476.63
LogP ≤ 55.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 4-[7-[6-(4-ethyl-3,3-dimethylpiperazin-1-yl)-3-pyridinyl]imidazo[1,2-a]pyridin-3-yl]-2-methylquinoline with MolForge

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Related Compounds

2-methyl-4-[7-(4-piperazin-1-ylphenyl)imidazo[1,2-a]pyridin-3-yl]quinoline
CID 139326669
[6-fluoro-2-[5-(3-quinolin-4-ylimidazo[1,2-a]pyridin-7-yl)-2-pyridinyl]-2-azaspiro[3.3]heptan-6-yl]phosphane
CID 142306194
2,6-dimethyl-4-[5-(3-quinolin-4-ylimidazo[1,2-a]pyridin-7-yl)-2-pyridinyl]morpholine
CID 142306273
6-fluoro-2-methyl-4-[7-(4-piperazin-1-ylphenyl)imidazo[1,2-a]pyridin-3-yl]quinoline
CID 139326665
2,7-dimethyl-4-[7-(4-piperazin-1-ylphenyl)imidazo[1,2-a]pyridin-3-yl]quinoline
CID 134356888
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
6-fluoro-2-methyl-4-[7-[4-[1-(2-methylpropyl)piperidin-4-yl]phenyl]imidazo[1,2-a]pyridin-3-yl]quinoline
CID 139326717
4-[7-[4-(3,3-dimethylpiperazin-1-yl)phenyl]imidazo[1,2-a]pyridin-3-yl]-8-fluoro-2,6-dimethylquinoline
CID 161401798
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
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
1-[4-[4-(3-quinolin-5-ylimidazo[1,2-a]pyridin-7-yl)phenyl]piperazin-1-yl]ethanone
CID 139326849

Frequently Asked Questions

What is the IUPAC name of 4-[7-[6-(4-ethyl-3,3-dimethylpiperazin-1-yl)-3-pyridinyl]imidazo[1,2-a]pyridin-3-yl]-2-methylquinoline?
The IUPAC name of 4-[7-[6-(4-ethyl-3,3-dimethylpiperazin-1-yl)-3-pyridinyl]imidazo[1,2-a]pyridin-3-yl]-2-methylquinoline (CID 134356939) is 4-[7-[6-(4-ethyl-3,3-dimethylpiperazin-1-yl)-3-pyridinyl]imidazo[1,2-a]pyridin-3-yl]-2-methylquinoline.
What is the SMILES notation for 4-[7-[6-(4-ethyl-3,3-dimethylpiperazin-1-yl)-3-pyridinyl]imidazo[1,2-a]pyridin-3-yl]-2-methylquinoline?
The canonical SMILES for 4-[7-[6-(4-ethyl-3,3-dimethylpiperazin-1-yl)-3-pyridinyl]imidazo[1,2-a]pyridin-3-yl]-2-methylquinoline is CCN1CCN(c2ccc(-c3ccn4c(-c5cc(C)nc6ccccc56)cnc4c3)cn2)CC1(C)C.
What is the InChIKey of 4-[7-[6-(4-ethyl-3,3-dimethylpiperazin-1-yl)-3-pyridinyl]imidazo[1,2-a]pyridin-3-yl]-2-methylquinoline?
The InChIKey is LPRDVJPKLRNUFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H32N6/c1-5-35-15-14-34(20-30(35,3)4)28-11-10-23(18-31-28)22-12-13-36-27(19-32-29(36)17-22)25-16-21(2)33-26-9-7-6-8-24(25)26/h6-13,16-19H,5,14-15,20H2,1-4H3.
What are the key properties of 4-[7-[6-(4-ethyl-3,3-dimethylpiperazin-1-yl)-3-pyridinyl]imidazo[1,2-a]pyridin-3-yl]-2-methylquinoline?
4-[7-[6-(4-ethyl-3,3-dimethylpiperazin-1-yl)-3-pyridinyl]imidazo[1,2-a]pyridin-3-yl]-2-methylquinoline has a molecular weight of 476.63 g/mol, XLogP of 5.84, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[7-[6-(4-ethyl-3,3-dimethylpiperazin-1-yl)-3-pyridinyl]imidazo[1,2-a]pyridin-3-yl]-2-methylquinoline is sourced from PubChem (CID 134356939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).