1-[[4-[7-(1H-pyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]methyl]-3-[3-(trifluoromethyl)phenyl]urea

C25H19F3N6O — CID 68621195

About 1-[[4-[7-(1H-pyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]methyl]-3-[3-(trifluoromethyl)phenyl]urea

1-[[4-[7-(1H-pyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]methyl]-3-[3-(trifluoromethyl)phenyl]urea (PubChem CID 68621195) has the molecular formula C25H19F3N6O and a molecular weight of 476.46 g/mol. Its IUPAC name is 1-[[4-[7-(1H-pyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]methyl]-3-[3-(trifluoromethyl)phenyl]urea.

Molecular Properties

• Compound Name: 1-[[4-[7-(1H-pyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]methyl]-3-[3-(trifluoromethyl)phenyl]urea
• PubChem CID: 68621195
• Molecular Formula: C25H19F3N6O
• Molecular Weight: 476.46 g/mol
• Exact Mass: 476.16
• IUPAC Name: 1-[[4-[7-(1H-pyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]methyl]-3-[3-(trifluoromethyl)phenyl]urea
• SMILES: O=C(NCc1ccc(-c2cnc3cc(-c4cn[nH]c4)ccn23)cc1)Nc1cccc(C(F)(F)F)c1
• InChI: InChI=1S/C25H19F3N6O/c26-25(27,28)20-2-1-3-21(11-20)33-24(35)30-12-16-4-6-17(7-5-16)22-15-29-23-10-18(8-9-34(22)23)19-13-31-32-14-19/h1-11,13-15H,12H2,(H,31,32)(H2,30,33,35)
• InChIKey: VHYFSBBUPAPUJB-UHFFFAOYSA-N
• XLogP: 5.73
• TPSA: 87.11 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	476.46
LogP ≤ 5	5.73
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 1-[[4-[7-(1H-pyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]methyl]-3-[3-(trifluoromethyl)phenyl]urea?

The IUPAC name of 1-[[4-[7-(1H-pyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]methyl]-3-[3-(trifluoromethyl)phenyl]urea (CID 68621195) is 1-[[4-[7-(1H-pyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]methyl]-3-[3-(trifluoromethyl)phenyl]urea.

What is the SMILES notation for 1-[[4-[7-(1H-pyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]methyl]-3-[3-(trifluoromethyl)phenyl]urea?

The canonical SMILES for 1-[[4-[7-(1H-pyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]methyl]-3-[3-(trifluoromethyl)phenyl]urea is O=C(NCc1ccc(-c2cnc3cc(-c4cn[nH]c4)ccn23)cc1)Nc1cccc(C(F)(F)F)c1.

What is the InChIKey of 1-[[4-[7-(1H-pyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]methyl]-3-[3-(trifluoromethyl)phenyl]urea?

The InChIKey is VHYFSBBUPAPUJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19F3N6O/c26-25(27,28)20-2-1-3-21(11-20)33-24(35)30-12-16-4-6-17(7-5-16)22-15-29-23-10-18(8-9-34(22)23)19-13-31-32-14-19/h1-11,13-15H,12H2,(H,31,32)(H2,30,33,35).

What are the key properties of 1-[[4-[7-(1H-pyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]methyl]-3-[3-(trifluoromethyl)phenyl]urea?

1-[[4-[7-(1H-pyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]methyl]-3-[3-(trifluoromethyl)phenyl]urea has a molecular weight of 476.46 g/mol, XLogP of 5.73, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[[4-[7-(1H-pyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]methyl]-3-[3-(trifluoromethyl)phenyl]urea is sourced from PubChem (CID 68621195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).