1-[5-[4-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]piperazin-1-yl]pyrimidin-2-yl]-N-methylpyrrolidin-3-amine

C28H33ClN8O2 — CID 135281235

IUPAC1-[5-[4-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]piperazin-1-yl]pyrimidin-2-yl]-N-methylpyrrolidin-3-amine
SMILESCNC1CCN(c2ncc(N3CCN(c4ccn5cc(-c6cc(Cl)c(OC)cc6OC)nc5c4)CC3)cn2)C1
InChIInChI=1S/C28H33ClN8O2/c1-30-19-4-6-37(17-19)28-31-15-21(16-32-28)35-10-8-34(9-11-35)20-5-7-36-18-24(33-27(36)12-20)22-13-23(29)26(39-3)14-25(22)38-2/h5,7,12-16,18-19,30H,4,6,8-11,17H2,1-3H3
InChIKeyCPPAZACHGGMPKN-UHFFFAOYSA-N
MW549.08 g/mol
LogP3.59
Rot. Bonds7

About 1-[5-[4-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]piperazin-1-yl]pyrimidin-2-yl]-N-methylpyrrolidin-3-amine

1-[5-[4-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]piperazin-1-yl]pyrimidin-2-yl]-N-methylpyrrolidin-3-amine (PubChem CID 135281235) has the molecular formula C28H33ClN8O2 and a molecular weight of 549.08 g/mol. Its IUPAC name is 1-[5-[4-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]piperazin-1-yl]pyrimidin-2-yl]-N-methylpyrrolidin-3-amine.

Molecular Properties

Compound Name1-[5-[4-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]piperazin-1-yl]pyrimidin-2-yl]-N-methylpyrrolidin-3-amine
PubChem CID135281235
Molecular FormulaC28H33ClN8O2
Molecular Weight549.08 g/mol
Exact Mass548.24
IUPAC Name1-[5-[4-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]piperazin-1-yl]pyrimidin-2-yl]-N-methylpyrrolidin-3-amine
SMILESCNC1CCN(c2ncc(N3CCN(c4ccn5cc(-c6cc(Cl)c(OC)cc6OC)nc5c4)CC3)cn2)C1
InChIInChI=1S/C28H33ClN8O2/c1-30-19-4-6-37(17-19)28-31-15-21(16-32-28)35-10-8-34(9-11-35)20-5-7-36-18-24(33-27(36)12-20)22-13-23(29)26(39-3)14-25(22)38-2/h5,7,12-16,18-19,30H,4,6,8-11,17H2,1-3H3
InChIKeyCPPAZACHGGMPKN-UHFFFAOYSA-N
XLogP3.59
TPSA83.29 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500549.08
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Analyze 1-[5-[4-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]piperazin-1-yl]pyrimidin-2-yl]-N-methylpyrrolidin-3-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[5-[4-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]piperazin-1-yl]pyrimidin-2-yl]-N-methylpyrrolidin-3-amine?
The IUPAC name of 1-[5-[4-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]piperazin-1-yl]pyrimidin-2-yl]-N-methylpyrrolidin-3-amine (CID 135281235) is 1-[5-[4-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]piperazin-1-yl]pyrimidin-2-yl]-N-methylpyrrolidin-3-amine.
What is the SMILES notation for 1-[5-[4-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]piperazin-1-yl]pyrimidin-2-yl]-N-methylpyrrolidin-3-amine?
The canonical SMILES for 1-[5-[4-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]piperazin-1-yl]pyrimidin-2-yl]-N-methylpyrrolidin-3-amine is CNC1CCN(c2ncc(N3CCN(c4ccn5cc(-c6cc(Cl)c(OC)cc6OC)nc5c4)CC3)cn2)C1.
What is the InChIKey of 1-[5-[4-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]piperazin-1-yl]pyrimidin-2-yl]-N-methylpyrrolidin-3-amine?
The InChIKey is CPPAZACHGGMPKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H33ClN8O2/c1-30-19-4-6-37(17-19)28-31-15-21(16-32-28)35-10-8-34(9-11-35)20-5-7-36-18-24(33-27(36)12-20)22-13-23(29)26(39-3)14-25(22)38-2/h5,7,12-16,18-19,30H,4,6,8-11,17H2,1-3H3.
What are the key properties of 1-[5-[4-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]piperazin-1-yl]pyrimidin-2-yl]-N-methylpyrrolidin-3-amine?
1-[5-[4-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]piperazin-1-yl]pyrimidin-2-yl]-N-methylpyrrolidin-3-amine has a molecular weight of 549.08 g/mol, XLogP of 3.59, 7 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[4-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]piperazin-1-yl]pyrimidin-2-yl]-N-methylpyrrolidin-3-amine is sourced from PubChem (CID 135281235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).