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

C25H18Cl3N7O — CID 11584673

IUPAC1-[3-[8-(pyridin-4-ylmethylamino)imidazo[1,2-a]pyrazin-6-yl]phenyl]-3-(2,4,5-trichlorophenyl)urea
SMILESO=C(Nc1cccc(-c2cn3ccnc3c(NCc3ccncc3)n2)c1)Nc1cc(Cl)c(Cl)cc1Cl
InChIInChI=1S/C25H18Cl3N7O/c26-18-11-20(28)21(12-19(18)27)34-25(36)32-17-3-1-2-16(10-17)22-14-35-9-8-30-24(35)23(33-22)31-13-15-4-6-29-7-5-15/h1-12,14H,13H2,(H,31,33)(H2,32,34,36)
InChIKeyQUXOZGASFQBLEZ-UHFFFAOYSA-N
MW538.83 g/mol
LogP7.01
Rot. Bonds6

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

1-[3-[8-(pyridin-4-ylmethylamino)imidazo[1,2-a]pyrazin-6-yl]phenyl]-3-(2,4,5-trichlorophenyl)urea (PubChem CID 11584673) has the molecular formula C25H18Cl3N7O and a molecular weight of 538.83 g/mol. Its IUPAC name is 1-[3-[8-(pyridin-4-ylmethylamino)imidazo[1,2-a]pyrazin-6-yl]phenyl]-3-(2,4,5-trichlorophenyl)urea.

Molecular Properties

Compound Name1-[3-[8-(pyridin-4-ylmethylamino)imidazo[1,2-a]pyrazin-6-yl]phenyl]-3-(2,4,5-trichlorophenyl)urea
PubChem CID11584673
Molecular FormulaC25H18Cl3N7O
Molecular Weight538.83 g/mol
Exact Mass537.06
IUPAC Name1-[3-[8-(pyridin-4-ylmethylamino)imidazo[1,2-a]pyrazin-6-yl]phenyl]-3-(2,4,5-trichlorophenyl)urea
SMILESO=C(Nc1cccc(-c2cn3ccnc3c(NCc3ccncc3)n2)c1)Nc1cc(Cl)c(Cl)cc1Cl
InChIInChI=1S/C25H18Cl3N7O/c26-18-11-20(28)21(12-19(18)27)34-25(36)32-17-3-1-2-16(10-17)22-14-35-9-8-30-24(35)23(33-22)31-13-15-4-6-29-7-5-15/h1-12,14H,13H2,(H,31,33)(H2,32,34,36)
InChIKeyQUXOZGASFQBLEZ-UHFFFAOYSA-N
XLogP7.01
TPSA96.24 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500538.83
LogP ≤ 57.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

Analyze 1-[3-[8-(pyridin-4-ylmethylamino)imidazo[1,2-a]pyrazin-6-yl]phenyl]-3-(2,4,5-trichlorophenyl)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-[3-[8-(pyridin-4-ylmethylamino)imidazo[1,2-a]pyrazin-6-yl]phenyl]-3-(2,4,5-trichlorophenyl)urea?
The IUPAC name of 1-[3-[8-(pyridin-4-ylmethylamino)imidazo[1,2-a]pyrazin-6-yl]phenyl]-3-(2,4,5-trichlorophenyl)urea (CID 11584673) is 1-[3-[8-(pyridin-4-ylmethylamino)imidazo[1,2-a]pyrazin-6-yl]phenyl]-3-(2,4,5-trichlorophenyl)urea.
What is the SMILES notation for 1-[3-[8-(pyridin-4-ylmethylamino)imidazo[1,2-a]pyrazin-6-yl]phenyl]-3-(2,4,5-trichlorophenyl)urea?
The canonical SMILES for 1-[3-[8-(pyridin-4-ylmethylamino)imidazo[1,2-a]pyrazin-6-yl]phenyl]-3-(2,4,5-trichlorophenyl)urea is O=C(Nc1cccc(-c2cn3ccnc3c(NCc3ccncc3)n2)c1)Nc1cc(Cl)c(Cl)cc1Cl.
What is the InChIKey of 1-[3-[8-(pyridin-4-ylmethylamino)imidazo[1,2-a]pyrazin-6-yl]phenyl]-3-(2,4,5-trichlorophenyl)urea?
The InChIKey is QUXOZGASFQBLEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H18Cl3N7O/c26-18-11-20(28)21(12-19(18)27)34-25(36)32-17-3-1-2-16(10-17)22-14-35-9-8-30-24(35)23(33-22)31-13-15-4-6-29-7-5-15/h1-12,14H,13H2,(H,31,33)(H2,32,34,36).
What are the key properties of 1-[3-[8-(pyridin-4-ylmethylamino)imidazo[1,2-a]pyrazin-6-yl]phenyl]-3-(2,4,5-trichlorophenyl)urea?
1-[3-[8-(pyridin-4-ylmethylamino)imidazo[1,2-a]pyrazin-6-yl]phenyl]-3-(2,4,5-trichlorophenyl)urea has a molecular weight of 538.83 g/mol, XLogP of 7.01, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[8-(pyridin-4-ylmethylamino)imidazo[1,2-a]pyrazin-6-yl]phenyl]-3-(2,4,5-trichlorophenyl)urea is sourced from PubChem (CID 11584673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).