1-[4-[2-[4-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]piperazin-1-yl]pyrimidin-4-yl]piperazin-1-yl]ethanone

C29H33ClN8O3 — CID 135334976

IUPAC1-[4-[2-[4-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]piperazin-1-yl]pyrimidin-4-yl]piperazin-1-yl]ethanone
SMILESCOc1cc(OC)c(-c2cn3ccc(N4CCN(c5nccc(N6CCN(C(C)=O)CC6)n5)CC4)cc3n2)cc1Cl
InChIInChI=1S/C29H33ClN8O3/c1-20(39)34-8-12-36(13-9-34)27-4-6-31-29(33-27)37-14-10-35(11-15-37)21-5-7-38-19-24(32-28(38)16-21)22-17-23(30)26(41-3)18-25(22)40-2/h4-7,16-19H,8-15H2,1-3H3
InChIKeyISNPSWCLPVSXRF-UHFFFAOYSA-N
MW577.09 g/mol
LogP3.46
Rot. Bonds6

About 1-[4-[2-[4-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]piperazin-1-yl]pyrimidin-4-yl]piperazin-1-yl]ethanone

1-[4-[2-[4-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]piperazin-1-yl]pyrimidin-4-yl]piperazin-1-yl]ethanone (PubChem CID 135334976) has the molecular formula C29H33ClN8O3 and a molecular weight of 577.09 g/mol. Its IUPAC name is 1-[4-[2-[4-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]piperazin-1-yl]pyrimidin-4-yl]piperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[2-[4-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]piperazin-1-yl]pyrimidin-4-yl]piperazin-1-yl]ethanone
PubChem CID135334976
Molecular FormulaC29H33ClN8O3
Molecular Weight577.09 g/mol
Exact Mass576.24
IUPAC Name1-[4-[2-[4-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]piperazin-1-yl]pyrimidin-4-yl]piperazin-1-yl]ethanone
SMILESCOc1cc(OC)c(-c2cn3ccc(N4CCN(c5nccc(N6CCN(C(C)=O)CC6)n5)CC4)cc3n2)cc1Cl
InChIInChI=1S/C29H33ClN8O3/c1-20(39)34-8-12-36(13-9-34)27-4-6-31-29(33-27)37-14-10-35(11-15-37)21-5-7-38-19-24(32-28(38)16-21)22-17-23(30)26(41-3)18-25(22)40-2/h4-7,16-19H,8-15H2,1-3H3
InChIKeyISNPSWCLPVSXRF-UHFFFAOYSA-N
XLogP3.46
TPSA91.57 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms41
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500577.09
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze 1-[4-[2-[4-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]piperazin-1-yl]pyrimidin-4-yl]piperazin-1-yl]ethanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[2-[4-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]piperazin-1-yl]pyrimidin-4-yl]piperazin-1-yl]ethanone?
The IUPAC name of 1-[4-[2-[4-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]piperazin-1-yl]pyrimidin-4-yl]piperazin-1-yl]ethanone (CID 135334976) is 1-[4-[2-[4-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]piperazin-1-yl]pyrimidin-4-yl]piperazin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[2-[4-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]piperazin-1-yl]pyrimidin-4-yl]piperazin-1-yl]ethanone?
The canonical SMILES for 1-[4-[2-[4-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]piperazin-1-yl]pyrimidin-4-yl]piperazin-1-yl]ethanone is COc1cc(OC)c(-c2cn3ccc(N4CCN(c5nccc(N6CCN(C(C)=O)CC6)n5)CC4)cc3n2)cc1Cl.
What is the InChIKey of 1-[4-[2-[4-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]piperazin-1-yl]pyrimidin-4-yl]piperazin-1-yl]ethanone?
The InChIKey is ISNPSWCLPVSXRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H33ClN8O3/c1-20(39)34-8-12-36(13-9-34)27-4-6-31-29(33-27)37-14-10-35(11-15-37)21-5-7-38-19-24(32-28(38)16-21)22-17-23(30)26(41-3)18-25(22)40-2/h4-7,16-19H,8-15H2,1-3H3.
What are the key properties of 1-[4-[2-[4-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]piperazin-1-yl]pyrimidin-4-yl]piperazin-1-yl]ethanone?
1-[4-[2-[4-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]piperazin-1-yl]pyrimidin-4-yl]piperazin-1-yl]ethanone has a molecular weight of 577.09 g/mol, XLogP of 3.46, 6 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[2-[4-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]piperazin-1-yl]pyrimidin-4-yl]piperazin-1-yl]ethanone is sourced from PubChem (CID 135334976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).