1-(3-methoxy-4-methyl-1-phenylpyrazol-5-yl)-3-[2-phenyl-8-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]urea

C26H21F3N6O2 — CID 74767248

IUPAC1-(3-methoxy-4-methyl-1-phenylpyrazol-5-yl)-3-[2-phenyl-8-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]urea
SMILESCOc1nn(-c2ccccc2)c(NC(=O)Nc2c(-c3ccccc3)nc3c(C(F)(F)F)cccn23)c1C
InChIInChI=1S/C26H21F3N6O2/c1-16-21(35(33-24(16)37-2)18-12-7-4-8-13-18)31-25(36)32-23-20(17-10-5-3-6-11-17)30-22-19(26(27,28)29)14-9-15-34(22)23/h3-15H,1-2H3,(H2,31,32,36)
InChIKeyXCCQNRRWTOTVFK-UHFFFAOYSA-N
MW506.49 g/mol
LogP6.17
Rot. Bonds5

About 1-(3-methoxy-4-methyl-1-phenylpyrazol-5-yl)-3-[2-phenyl-8-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]urea

1-(3-methoxy-4-methyl-1-phenylpyrazol-5-yl)-3-[2-phenyl-8-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]urea (PubChem CID 74767248) has the molecular formula C26H21F3N6O2 and a molecular weight of 506.49 g/mol. Its IUPAC name is 1-(3-methoxy-4-methyl-1-phenylpyrazol-5-yl)-3-[2-phenyl-8-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]urea.

Molecular Properties

Compound Name1-(3-methoxy-4-methyl-1-phenylpyrazol-5-yl)-3-[2-phenyl-8-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]urea
PubChem CID74767248
Molecular FormulaC26H21F3N6O2
Molecular Weight506.49 g/mol
Exact Mass506.17
IUPAC Name1-(3-methoxy-4-methyl-1-phenylpyrazol-5-yl)-3-[2-phenyl-8-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]urea
SMILESCOc1nn(-c2ccccc2)c(NC(=O)Nc2c(-c3ccccc3)nc3c(C(F)(F)F)cccn23)c1C
InChIInChI=1S/C26H21F3N6O2/c1-16-21(35(33-24(16)37-2)18-12-7-4-8-13-18)31-25(36)32-23-20(17-10-5-3-6-11-17)30-22-19(26(27,28)29)14-9-15-34(22)23/h3-15H,1-2H3,(H2,31,32,36)
InChIKeyXCCQNRRWTOTVFK-UHFFFAOYSA-N
XLogP6.17
TPSA85.48 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500506.49
LogP ≤ 56.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-(3-methoxy-4-methyl-1-phenylpyrazol-5-yl)-3-[2-phenyl-8-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]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-methoxy-4-methyl-1-phenylpyrazol-5-yl)-3-[2-phenyl-8-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]urea?
The IUPAC name of 1-(3-methoxy-4-methyl-1-phenylpyrazol-5-yl)-3-[2-phenyl-8-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]urea (CID 74767248) is 1-(3-methoxy-4-methyl-1-phenylpyrazol-5-yl)-3-[2-phenyl-8-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]urea.
What is the SMILES notation for 1-(3-methoxy-4-methyl-1-phenylpyrazol-5-yl)-3-[2-phenyl-8-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]urea?
The canonical SMILES for 1-(3-methoxy-4-methyl-1-phenylpyrazol-5-yl)-3-[2-phenyl-8-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]urea is COc1nn(-c2ccccc2)c(NC(=O)Nc2c(-c3ccccc3)nc3c(C(F)(F)F)cccn23)c1C.
What is the InChIKey of 1-(3-methoxy-4-methyl-1-phenylpyrazol-5-yl)-3-[2-phenyl-8-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]urea?
The InChIKey is XCCQNRRWTOTVFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21F3N6O2/c1-16-21(35(33-24(16)37-2)18-12-7-4-8-13-18)31-25(36)32-23-20(17-10-5-3-6-11-17)30-22-19(26(27,28)29)14-9-15-34(22)23/h3-15H,1-2H3,(H2,31,32,36).
What are the key properties of 1-(3-methoxy-4-methyl-1-phenylpyrazol-5-yl)-3-[2-phenyl-8-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]urea?
1-(3-methoxy-4-methyl-1-phenylpyrazol-5-yl)-3-[2-phenyl-8-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]urea has a molecular weight of 506.49 g/mol, XLogP of 6.17, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxy-4-methyl-1-phenylpyrazol-5-yl)-3-[2-phenyl-8-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]urea is sourced from PubChem (CID 74767248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).