1-[4-[(2-cyclopropyl-4-oxo-5H-imidazo[4,5-c]pyridin-3-yl)methyl]phenyl]-3-[2-methoxy-5-(trifluoromethyl)phenyl]urea

C25H22F3N5O3 — CID 11511628

About 1-[4-[(2-cyclopropyl-4-oxo-5H-imidazo[4,5-c]pyridin-3-yl)methyl]phenyl]-3-[2-methoxy-5-(trifluoromethyl)phenyl]urea

1-[4-[(2-cyclopropyl-4-oxo-5H-imidazo[4,5-c]pyridin-3-yl)methyl]phenyl]-3-[2-methoxy-5-(trifluoromethyl)phenyl]urea (PubChem CID 11511628) has the molecular formula C25H22F3N5O3 and a molecular weight of 497.48 g/mol. Its IUPAC name is 1-[4-[(2-cyclopropyl-4-oxo-5H-imidazo[4,5-c]pyridin-3-yl)methyl]phenyl]-3-[2-methoxy-5-(trifluoromethyl)phenyl]urea.

Molecular Properties

• Compound Name: 1-[4-[(2-cyclopropyl-4-oxo-5H-imidazo[4,5-c]pyridin-3-yl)methyl]phenyl]-3-[2-methoxy-5-(trifluoromethyl)phenyl]urea
• PubChem CID: 11511628
• Molecular Formula: C25H22F3N5O3
• Molecular Weight: 497.48 g/mol
• Exact Mass: 497.17
• IUPAC Name: 1-[4-[(2-cyclopropyl-4-oxo-5H-imidazo[4,5-c]pyridin-3-yl)methyl]phenyl]-3-[2-methoxy-5-(trifluoromethyl)phenyl]urea
• SMILES: COc1ccc(C(F)(F)F)cc1NC(=O)Nc1ccc(Cn2c(C3CC3)nc3cc[nH]c(=O)c32)cc1
• InChI: InChI=1S/C25H22F3N5O3/c1-36-20-9-6-16(25(26,27)28)12-19(20)32-24(35)30-17-7-2-14(3-8-17)13-33-21-18(10-11-29-23(21)34)31-22(33)15-4-5-15/h2-3,6-12,15H,4-5,13H2,1H3,(H,29,34)(H2,30,32,35)
• InChIKey: JHPOZKCSWLRAMX-UHFFFAOYSA-N
• XLogP: 5.32
• TPSA: 101.04 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	497.48
LogP ≤ 5	5.32
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(2-cyclopropyl-4-oxo-5H-imidazo[4,5-c]pyridin-3-yl)methyl]phenyl]-3-[2-methoxy-5-(trifluoromethyl)phenyl]urea?

The IUPAC name of 1-[4-[(2-cyclopropyl-4-oxo-5H-imidazo[4,5-c]pyridin-3-yl)methyl]phenyl]-3-[2-methoxy-5-(trifluoromethyl)phenyl]urea (CID 11511628) is 1-[4-[(2-cyclopropyl-4-oxo-5H-imidazo[4,5-c]pyridin-3-yl)methyl]phenyl]-3-[2-methoxy-5-(trifluoromethyl)phenyl]urea.

What is the SMILES notation for 1-[4-[(2-cyclopropyl-4-oxo-5H-imidazo[4,5-c]pyridin-3-yl)methyl]phenyl]-3-[2-methoxy-5-(trifluoromethyl)phenyl]urea?

The canonical SMILES for 1-[4-[(2-cyclopropyl-4-oxo-5H-imidazo[4,5-c]pyridin-3-yl)methyl]phenyl]-3-[2-methoxy-5-(trifluoromethyl)phenyl]urea is COc1ccc(C(F)(F)F)cc1NC(=O)Nc1ccc(Cn2c(C3CC3)nc3cc[nH]c(=O)c32)cc1.

What is the InChIKey of 1-[4-[(2-cyclopropyl-4-oxo-5H-imidazo[4,5-c]pyridin-3-yl)methyl]phenyl]-3-[2-methoxy-5-(trifluoromethyl)phenyl]urea?

The InChIKey is JHPOZKCSWLRAMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22F3N5O3/c1-36-20-9-6-16(25(26,27)28)12-19(20)32-24(35)30-17-7-2-14(3-8-17)13-33-21-18(10-11-29-23(21)34)31-22(33)15-4-5-15/h2-3,6-12,15H,4-5,13H2,1H3,(H,29,34)(H2,30,32,35).

What are the key properties of 1-[4-[(2-cyclopropyl-4-oxo-5H-imidazo[4,5-c]pyridin-3-yl)methyl]phenyl]-3-[2-methoxy-5-(trifluoromethyl)phenyl]urea?

1-[4-[(2-cyclopropyl-4-oxo-5H-imidazo[4,5-c]pyridin-3-yl)methyl]phenyl]-3-[2-methoxy-5-(trifluoromethyl)phenyl]urea has a molecular weight of 497.48 g/mol, XLogP of 5.32, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[4-[(2-cyclopropyl-4-oxo-5H-imidazo[4,5-c]pyridin-3-yl)methyl]phenyl]-3-[2-methoxy-5-(trifluoromethyl)phenyl]urea is sourced from PubChem (CID 11511628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).