1-(5-chloro-2,4-dimethoxyphenyl)-3-[3-[8-(pyridin-4-ylmethylamino)imidazo[1,2-a]pyrazin-6-yl]phenyl]urea

C27H24ClN7O3 — CID 11504682

IUPAC1-(5-chloro-2,4-dimethoxyphenyl)-3-[3-[8-(pyridin-4-ylmethylamino)imidazo[1,2-a]pyrazin-6-yl]phenyl]urea
SMILESCOc1cc(OC)c(NC(=O)Nc2cccc(-c3cn4ccnc4c(NCc4ccncc4)n3)c2)cc1Cl
InChIInChI=1S/C27H24ClN7O3/c1-37-23-14-24(38-2)21(13-20(23)28)34-27(36)32-19-5-3-4-18(12-19)22-16-35-11-10-30-26(35)25(33-22)31-15-17-6-8-29-9-7-17/h3-14,16H,15H2,1-2H3,(H,31,33)(H2,32,34,36)
InChIKeyTZPLNHKPNWQUJC-UHFFFAOYSA-N
MW529.99 g/mol
LogP5.72
Rot. Bonds8

About 1-(5-chloro-2,4-dimethoxyphenyl)-3-[3-[8-(pyridin-4-ylmethylamino)imidazo[1,2-a]pyrazin-6-yl]phenyl]urea

1-(5-chloro-2,4-dimethoxyphenyl)-3-[3-[8-(pyridin-4-ylmethylamino)imidazo[1,2-a]pyrazin-6-yl]phenyl]urea (PubChem CID 11504682) has the molecular formula C27H24ClN7O3 and a molecular weight of 529.99 g/mol. Its IUPAC name is 1-(5-chloro-2,4-dimethoxyphenyl)-3-[3-[8-(pyridin-4-ylmethylamino)imidazo[1,2-a]pyrazin-6-yl]phenyl]urea.

Molecular Properties

Compound Name1-(5-chloro-2,4-dimethoxyphenyl)-3-[3-[8-(pyridin-4-ylmethylamino)imidazo[1,2-a]pyrazin-6-yl]phenyl]urea
PubChem CID11504682
Molecular FormulaC27H24ClN7O3
Molecular Weight529.99 g/mol
Exact Mass529.16
IUPAC Name1-(5-chloro-2,4-dimethoxyphenyl)-3-[3-[8-(pyridin-4-ylmethylamino)imidazo[1,2-a]pyrazin-6-yl]phenyl]urea
SMILESCOc1cc(OC)c(NC(=O)Nc2cccc(-c3cn4ccnc4c(NCc4ccncc4)n3)c2)cc1Cl
InChIInChI=1S/C27H24ClN7O3/c1-37-23-14-24(38-2)21(13-20(23)28)34-27(36)32-19-5-3-4-18(12-19)22-16-35-11-10-30-26(35)25(33-22)31-15-17-6-8-29-9-7-17/h3-14,16H,15H2,1-2H3,(H,31,33)(H2,32,34,36)
InChIKeyTZPLNHKPNWQUJC-UHFFFAOYSA-N
XLogP5.72
TPSA114.70 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500529.99
LogP ≤ 55.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 1-(5-chloro-2,4-dimethoxyphenyl)-3-[3-[8-(pyridin-4-ylmethylamino)imidazo[1,2-a]pyrazin-6-yl]phenyl]urea 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-chloro-2,4-dimethoxyphenyl)-3-[3-[8-(pyridin-4-ylmethylamino)imidazo[1,2-a]pyrazin-6-yl]phenyl]urea?
The IUPAC name of 1-(5-chloro-2,4-dimethoxyphenyl)-3-[3-[8-(pyridin-4-ylmethylamino)imidazo[1,2-a]pyrazin-6-yl]phenyl]urea (CID 11504682) is 1-(5-chloro-2,4-dimethoxyphenyl)-3-[3-[8-(pyridin-4-ylmethylamino)imidazo[1,2-a]pyrazin-6-yl]phenyl]urea.
What is the SMILES notation for 1-(5-chloro-2,4-dimethoxyphenyl)-3-[3-[8-(pyridin-4-ylmethylamino)imidazo[1,2-a]pyrazin-6-yl]phenyl]urea?
The canonical SMILES for 1-(5-chloro-2,4-dimethoxyphenyl)-3-[3-[8-(pyridin-4-ylmethylamino)imidazo[1,2-a]pyrazin-6-yl]phenyl]urea is COc1cc(OC)c(NC(=O)Nc2cccc(-c3cn4ccnc4c(NCc4ccncc4)n3)c2)cc1Cl.
What is the InChIKey of 1-(5-chloro-2,4-dimethoxyphenyl)-3-[3-[8-(pyridin-4-ylmethylamino)imidazo[1,2-a]pyrazin-6-yl]phenyl]urea?
The InChIKey is TZPLNHKPNWQUJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24ClN7O3/c1-37-23-14-24(38-2)21(13-20(23)28)34-27(36)32-19-5-3-4-18(12-19)22-16-35-11-10-30-26(35)25(33-22)31-15-17-6-8-29-9-7-17/h3-14,16H,15H2,1-2H3,(H,31,33)(H2,32,34,36).
What are the key properties of 1-(5-chloro-2,4-dimethoxyphenyl)-3-[3-[8-(pyridin-4-ylmethylamino)imidazo[1,2-a]pyrazin-6-yl]phenyl]urea?
1-(5-chloro-2,4-dimethoxyphenyl)-3-[3-[8-(pyridin-4-ylmethylamino)imidazo[1,2-a]pyrazin-6-yl]phenyl]urea has a molecular weight of 529.99 g/mol, XLogP of 5.72, 8 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-2,4-dimethoxyphenyl)-3-[3-[8-(pyridin-4-ylmethylamino)imidazo[1,2-a]pyrazin-6-yl]phenyl]urea is sourced from PubChem (CID 11504682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).