1-[3-[8-[methyl(pyridin-4-ylmethyl)amino]imidazo[1,2-a]pyrazin-6-yl]phenyl]-3-[3-(trifluoromethyl)phenyl]urea

C27H22F3N7O — CID 11756320

IUPAC1-[3-[8-[methyl(pyridin-4-ylmethyl)amino]imidazo[1,2-a]pyrazin-6-yl]phenyl]-3-[3-(trifluoromethyl)phenyl]urea
SMILESCN(Cc1ccncc1)c1nc(-c2cccc(NC(=O)Nc3cccc(C(F)(F)F)c3)c2)cn2ccnc12
InChIInChI=1S/C27H22F3N7O/c1-36(16-18-8-10-31-11-9-18)25-24-32-12-13-37(24)17-23(35-25)19-4-2-6-21(14-19)33-26(38)34-22-7-3-5-20(15-22)27(28,29)30/h2-15,17H,16H2,1H3,(H2,33,34,38)
InChIKeyPGAGZKDWBHDEKT-UHFFFAOYSA-N
MW517.52 g/mol
LogP6.09
Rot. Bonds6

About 1-[3-[8-[methyl(pyridin-4-ylmethyl)amino]imidazo[1,2-a]pyrazin-6-yl]phenyl]-3-[3-(trifluoromethyl)phenyl]urea

1-[3-[8-[methyl(pyridin-4-ylmethyl)amino]imidazo[1,2-a]pyrazin-6-yl]phenyl]-3-[3-(trifluoromethyl)phenyl]urea (PubChem CID 11756320) has the molecular formula C27H22F3N7O and a molecular weight of 517.52 g/mol. Its IUPAC name is 1-[3-[8-[methyl(pyridin-4-ylmethyl)amino]imidazo[1,2-a]pyrazin-6-yl]phenyl]-3-[3-(trifluoromethyl)phenyl]urea.

Molecular Properties

Compound Name1-[3-[8-[methyl(pyridin-4-ylmethyl)amino]imidazo[1,2-a]pyrazin-6-yl]phenyl]-3-[3-(trifluoromethyl)phenyl]urea
PubChem CID11756320
Molecular FormulaC27H22F3N7O
Molecular Weight517.52 g/mol
Exact Mass517.18
IUPAC Name1-[3-[8-[methyl(pyridin-4-ylmethyl)amino]imidazo[1,2-a]pyrazin-6-yl]phenyl]-3-[3-(trifluoromethyl)phenyl]urea
SMILESCN(Cc1ccncc1)c1nc(-c2cccc(NC(=O)Nc3cccc(C(F)(F)F)c3)c2)cn2ccnc12
InChIInChI=1S/C27H22F3N7O/c1-36(16-18-8-10-31-11-9-18)25-24-32-12-13-37(24)17-23(35-25)19-4-2-6-21(14-19)33-26(38)34-22-7-3-5-20(15-22)27(28,29)30/h2-15,17H,16H2,1H3,(H2,33,34,38)
InChIKeyPGAGZKDWBHDEKT-UHFFFAOYSA-N
XLogP6.09
TPSA87.45 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500517.52
LogP ≤ 56.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-[3-[8-[methyl(pyridin-4-ylmethyl)amino]imidazo[1,2-a]pyrazin-6-yl]phenyl]-3-[3-(trifluoromethyl)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-[3-[8-[methyl(pyridin-4-ylmethyl)amino]imidazo[1,2-a]pyrazin-6-yl]phenyl]-3-[3-(trifluoromethyl)phenyl]urea?
The IUPAC name of 1-[3-[8-[methyl(pyridin-4-ylmethyl)amino]imidazo[1,2-a]pyrazin-6-yl]phenyl]-3-[3-(trifluoromethyl)phenyl]urea (CID 11756320) is 1-[3-[8-[methyl(pyridin-4-ylmethyl)amino]imidazo[1,2-a]pyrazin-6-yl]phenyl]-3-[3-(trifluoromethyl)phenyl]urea.
What is the SMILES notation for 1-[3-[8-[methyl(pyridin-4-ylmethyl)amino]imidazo[1,2-a]pyrazin-6-yl]phenyl]-3-[3-(trifluoromethyl)phenyl]urea?
The canonical SMILES for 1-[3-[8-[methyl(pyridin-4-ylmethyl)amino]imidazo[1,2-a]pyrazin-6-yl]phenyl]-3-[3-(trifluoromethyl)phenyl]urea is CN(Cc1ccncc1)c1nc(-c2cccc(NC(=O)Nc3cccc(C(F)(F)F)c3)c2)cn2ccnc12.
What is the InChIKey of 1-[3-[8-[methyl(pyridin-4-ylmethyl)amino]imidazo[1,2-a]pyrazin-6-yl]phenyl]-3-[3-(trifluoromethyl)phenyl]urea?
The InChIKey is PGAGZKDWBHDEKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H22F3N7O/c1-36(16-18-8-10-31-11-9-18)25-24-32-12-13-37(24)17-23(35-25)19-4-2-6-21(14-19)33-26(38)34-22-7-3-5-20(15-22)27(28,29)30/h2-15,17H,16H2,1H3,(H2,33,34,38).
What are the key properties of 1-[3-[8-[methyl(pyridin-4-ylmethyl)amino]imidazo[1,2-a]pyrazin-6-yl]phenyl]-3-[3-(trifluoromethyl)phenyl]urea?
1-[3-[8-[methyl(pyridin-4-ylmethyl)amino]imidazo[1,2-a]pyrazin-6-yl]phenyl]-3-[3-(trifluoromethyl)phenyl]urea has a molecular weight of 517.52 g/mol, XLogP of 6.09, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[8-[methyl(pyridin-4-ylmethyl)amino]imidazo[1,2-a]pyrazin-6-yl]phenyl]-3-[3-(trifluoromethyl)phenyl]urea is sourced from PubChem (CID 11756320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).