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

C24H20F3N5O2 — CID 11619693

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

1-[4-[(2-cyclopropyl-4-oxo-5H-imidazo[4,5-c]pyridin-3-yl)methyl]phenyl]-3-[3-(trifluoromethyl)phenyl]urea (PubChem CID 11619693) has the molecular formula C24H20F3N5O2 and a molecular weight of 467.45 g/mol. Its IUPAC name is 1-[4-[(2-cyclopropyl-4-oxo-5H-imidazo[4,5-c]pyridin-3-yl)methyl]phenyl]-3-[3-(trifluoromethyl)phenyl]urea.

Molecular Properties

• Compound Name: 1-[4-[(2-cyclopropyl-4-oxo-5H-imidazo[4,5-c]pyridin-3-yl)methyl]phenyl]-3-[3-(trifluoromethyl)phenyl]urea
• PubChem CID: 11619693
• Molecular Formula: C24H20F3N5O2
• Molecular Weight: 467.45 g/mol
• Exact Mass: 467.16
• IUPAC Name: 1-[4-[(2-cyclopropyl-4-oxo-5H-imidazo[4,5-c]pyridin-3-yl)methyl]phenyl]-3-[3-(trifluoromethyl)phenyl]urea
• SMILES: O=C(Nc1ccc(Cn2c(C3CC3)nc3cc[nH]c(=O)c32)cc1)Nc1cccc(C(F)(F)F)c1
• InChI: InChI=1S/C24H20F3N5O2/c25-24(26,27)16-2-1-3-18(12-16)30-23(34)29-17-8-4-14(5-9-17)13-32-20-19(10-11-28-22(20)33)31-21(32)15-6-7-15/h1-5,8-12,15H,6-7,13H2,(H,28,33)(H2,29,30,34)
• InChIKey: SMEFUZFVGUVGMG-UHFFFAOYSA-N
• XLogP: 5.31
• TPSA: 91.81 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	467.45
LogP ≤ 5	5.31
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	4

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-[3-(trifluoromethyl)phenyl]urea?

The IUPAC name of 1-[4-[(2-cyclopropyl-4-oxo-5H-imidazo[4,5-c]pyridin-3-yl)methyl]phenyl]-3-[3-(trifluoromethyl)phenyl]urea (CID 11619693) is 1-[4-[(2-cyclopropyl-4-oxo-5H-imidazo[4,5-c]pyridin-3-yl)methyl]phenyl]-3-[3-(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-[3-(trifluoromethyl)phenyl]urea?

The canonical SMILES for 1-[4-[(2-cyclopropyl-4-oxo-5H-imidazo[4,5-c]pyridin-3-yl)methyl]phenyl]-3-[3-(trifluoromethyl)phenyl]urea is O=C(Nc1ccc(Cn2c(C3CC3)nc3cc[nH]c(=O)c32)cc1)Nc1cccc(C(F)(F)F)c1.

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

The InChIKey is SMEFUZFVGUVGMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20F3N5O2/c25-24(26,27)16-2-1-3-18(12-16)30-23(34)29-17-8-4-14(5-9-17)13-32-20-19(10-11-28-22(20)33)31-21(32)15-6-7-15/h1-5,8-12,15H,6-7,13H2,(H,28,33)(H2,29,30,34).

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

1-[4-[(2-cyclopropyl-4-oxo-5H-imidazo[4,5-c]pyridin-3-yl)methyl]phenyl]-3-[3-(trifluoromethyl)phenyl]urea has a molecular weight of 467.45 g/mol, XLogP of 5.31, 5 rotatable bonds, 3 hydrogen bond donors, and 4 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-[3-(trifluoromethyl)phenyl]urea is sourced from PubChem (CID 11619693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).