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

C26H19ClF3N7O — CID 46879388

IUPAC1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[3-[8-(pyridin-4-ylmethylamino)imidazo[1,2-a]pyrazin-6-yl]phenyl]urea
SMILESO=C(Nc1cccc(-c2cn3ccnc3c(NCc3ccncc3)n2)c1)Nc1ccc(Cl)c(C(F)(F)F)c1
InChIInChI=1S/C26H19ClF3N7O/c27-21-5-4-19(13-20(21)26(28,29)30)35-25(38)34-18-3-1-2-17(12-18)22-15-37-11-10-32-24(37)23(36-22)33-14-16-6-8-31-9-7-16/h1-13,15H,14H2,(H,33,36)(H2,34,35,38)
InChIKeyYVCVALMTTAHIAN-UHFFFAOYSA-N
MW537.93 g/mol
LogP6.72
Rot. Bonds6

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

1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[3-[8-(pyridin-4-ylmethylamino)imidazo[1,2-a]pyrazin-6-yl]phenyl]urea (PubChem CID 46879388) has the molecular formula C26H19ClF3N7O and a molecular weight of 537.93 g/mol. Its IUPAC name is 1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[3-[8-(pyridin-4-ylmethylamino)imidazo[1,2-a]pyrazin-6-yl]phenyl]urea.

Molecular Properties

Compound Name1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[3-[8-(pyridin-4-ylmethylamino)imidazo[1,2-a]pyrazin-6-yl]phenyl]urea
PubChem CID46879388
Molecular FormulaC26H19ClF3N7O
Molecular Weight537.93 g/mol
Exact Mass537.13
IUPAC Name1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[3-[8-(pyridin-4-ylmethylamino)imidazo[1,2-a]pyrazin-6-yl]phenyl]urea
SMILESO=C(Nc1cccc(-c2cn3ccnc3c(NCc3ccncc3)n2)c1)Nc1ccc(Cl)c(C(F)(F)F)c1
InChIInChI=1S/C26H19ClF3N7O/c27-21-5-4-19(13-20(21)26(28,29)30)35-25(38)34-18-3-1-2-17(12-18)22-15-37-11-10-32-24(37)23(36-22)33-14-16-6-8-31-9-7-16/h1-13,15H,14H2,(H,33,36)(H2,34,35,38)
InChIKeyYVCVALMTTAHIAN-UHFFFAOYSA-N
XLogP6.72
TPSA96.24 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500537.93
LogP ≤ 56.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 1-[4-chloro-3-(trifluoromethyl)phenyl]-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-[4-chloro-3-(trifluoromethyl)phenyl]-3-[3-[8-(pyridin-4-ylmethylamino)imidazo[1,2-a]pyrazin-6-yl]phenyl]urea?
The IUPAC name of 1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[3-[8-(pyridin-4-ylmethylamino)imidazo[1,2-a]pyrazin-6-yl]phenyl]urea (CID 46879388) is 1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[3-[8-(pyridin-4-ylmethylamino)imidazo[1,2-a]pyrazin-6-yl]phenyl]urea.
What is the SMILES notation for 1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[3-[8-(pyridin-4-ylmethylamino)imidazo[1,2-a]pyrazin-6-yl]phenyl]urea?
The canonical SMILES for 1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[3-[8-(pyridin-4-ylmethylamino)imidazo[1,2-a]pyrazin-6-yl]phenyl]urea is O=C(Nc1cccc(-c2cn3ccnc3c(NCc3ccncc3)n2)c1)Nc1ccc(Cl)c(C(F)(F)F)c1.
What is the InChIKey of 1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[3-[8-(pyridin-4-ylmethylamino)imidazo[1,2-a]pyrazin-6-yl]phenyl]urea?
The InChIKey is YVCVALMTTAHIAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H19ClF3N7O/c27-21-5-4-19(13-20(21)26(28,29)30)35-25(38)34-18-3-1-2-17(12-18)22-15-37-11-10-32-24(37)23(36-22)33-14-16-6-8-31-9-7-16/h1-13,15H,14H2,(H,33,36)(H2,34,35,38).
What are the key properties of 1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[3-[8-(pyridin-4-ylmethylamino)imidazo[1,2-a]pyrazin-6-yl]phenyl]urea?
1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[3-[8-(pyridin-4-ylmethylamino)imidazo[1,2-a]pyrazin-6-yl]phenyl]urea has a molecular weight of 537.93 g/mol, XLogP of 6.72, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[3-[8-(pyridin-4-ylmethylamino)imidazo[1,2-a]pyrazin-6-yl]phenyl]urea is sourced from PubChem (CID 46879388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).