1-(2-fluoro-5-methylphenyl)-3-[4-(1H-pyrazolo[5,4-c]pyridin-4-yl)phenyl]urea;1-[2-fluoro-5-(trifluoromethyl)phenyl]-3-[4-(1H-pyrazolo[5,4-c]pyridin-4-yl)phenyl]urea;1-[4-(1H-pyrazolo[5,4-c]pyridin-4-yl)phenyl]-3-[3-(trifluoromethyl)phenyl]urea

C60H43F8N15O3 — CID 159133995

About 1-(2-fluoro-5-methylphenyl)-3-[4-(1H-pyrazolo[5,4-c]pyridin-4-yl)phenyl]urea;1-[2-fluoro-5-(trifluoromethyl)phenyl]-3-[4-(1H-pyrazolo[5,4-c]pyridin-4-yl)phenyl]urea;1-[4-(1H-pyrazolo[5,4-c]pyridin-4-yl)phenyl]-3-[3-(trifluoromethyl)phenyl]urea

1-(2-fluoro-5-methylphenyl)-3-[4-(1H-pyrazolo[5,4-c]pyridin-4-yl)phenyl]urea;1-[2-fluoro-5-(trifluoromethyl)phenyl]-3-[4-(1H-pyrazolo[5,4-c]pyridin-4-yl)phenyl]urea;1-[4-(1H-pyrazolo[5,4-c]pyridin-4-yl)phenyl]-3-[3-(trifluoromethyl)phenyl]urea (PubChem CID 159133995) has the molecular formula C60H43F8N15O3 and a molecular weight of 1174.09 g/mol. Its IUPAC name is 1-(2-fluoro-5-methylphenyl)-3-[4-(1H-pyrazolo[5,4-c]pyridin-4-yl)phenyl]urea;1-[2-fluoro-5-(trifluoromethyl)phenyl]-3-[4-(1H-pyrazolo[5,4-c]pyridin-4-yl)phenyl]urea;1-[4-(1H-pyrazolo[5,4-c]pyridin-4-yl)phenyl]-3-[3-(trifluoromethyl)phenyl]urea.

Molecular Properties

• Compound Name: 1-(2-fluoro-5-methylphenyl)-3-[4-(1H-pyrazolo[5,4-c]pyridin-4-yl)phenyl]urea;1-[2-fluoro-5-(trifluoromethyl)phenyl]-3-[4-(1H-pyrazolo[5,4-c]pyridin-4-yl)phenyl]urea;1-[4-(1H-pyrazolo[5,4-c]pyridin-4-yl)phenyl]-3-[3-(trifluoromethyl)phenyl]urea
• PubChem CID: 159133995
• Molecular Formula: C60H43F8N15O3
• Molecular Weight: 1174.09 g/mol
• Exact Mass: 1173.35
• IUPAC Name: 1-(2-fluoro-5-methylphenyl)-3-[4-(1H-pyrazolo[5,4-c]pyridin-4-yl)phenyl]urea;1-[2-fluoro-5-(trifluoromethyl)phenyl]-3-[4-(1H-pyrazolo[5,4-c]pyridin-4-yl)phenyl]urea;1-[4-(1H-pyrazolo[5,4-c]pyridin-4-yl)phenyl]-3-[3-(trifluoromethyl)phenyl]urea
• SMILES: Cc1ccc(F)c(NC(=O)Nc2ccc(-c3cncc4[nH]ncc34)cc2)c1.O=C(Nc1ccc(-c2cncc3[nH]ncc23)cc1)Nc1cc(C(F)(F)F)ccc1F.O=C(Nc1ccc(-c2cncc3[nH]ncc23)cc1)Nc1cccc(C(F)(F)F)c1
• InChI: InChI=1S/C20H13F4N5O.C20H14F3N5O.C20H16FN5O/c21-16-6-3-12(20(22,23)24)7-17(16)28-19(30)27-13-4-1-11(2-5-13)14-8-25-10-18-15(14)9-26-29-18;21-20(22,23)13-2-1-3-15(8-13)27-19(29)26-14-6-4-12(5-7-14)16-9-24-11-18-17(16)10-25-28-18;1-12-2-7-17(21)18(8-12)25-20(27)24-14-5-3-13(4-6-14)15-9-22-11-19-16(15)10-23-26-19/h1-10H,(H,26,29)(H2,27,28,30);1-11H,(H,25,28)(H2,26,27,29);2-11H,1H3,(H,23,26)(H2,24,25,27)
• InChIKey: KHGBVJCKVNFXOL-UHFFFAOYSA-N
• XLogP: 15.43
• TPSA: 248.10 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 9
• Rotatable Bonds: 9
• Heavy Atoms: 86
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1174.09
LogP ≤ 5	15.43
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoro-5-methylphenyl)-3-[4-(1H-pyrazolo[5,4-c]pyridin-4-yl)phenyl]urea;1-[2-fluoro-5-(trifluoromethyl)phenyl]-3-[4-(1H-pyrazolo[5,4-c]pyridin-4-yl)phenyl]urea;1-[4-(1H-pyrazolo[5,4-c]pyridin-4-yl)phenyl]-3-[3-(trifluoromethyl)phenyl]urea?

The IUPAC name of 1-(2-fluoro-5-methylphenyl)-3-[4-(1H-pyrazolo[5,4-c]pyridin-4-yl)phenyl]urea;1-[2-fluoro-5-(trifluoromethyl)phenyl]-3-[4-(1H-pyrazolo[5,4-c]pyridin-4-yl)phenyl]urea;1-[4-(1H-pyrazolo[5,4-c]pyridin-4-yl)phenyl]-3-[3-(trifluoromethyl)phenyl]urea (CID 159133995) is 1-(2-fluoro-5-methylphenyl)-3-[4-(1H-pyrazolo[5,4-c]pyridin-4-yl)phenyl]urea;1-[2-fluoro-5-(trifluoromethyl)phenyl]-3-[4-(1H-pyrazolo[5,4-c]pyridin-4-yl)phenyl]urea;1-[4-(1H-pyrazolo[5,4-c]pyridin-4-yl)phenyl]-3-[3-(trifluoromethyl)phenyl]urea.

What is the SMILES notation for 1-(2-fluoro-5-methylphenyl)-3-[4-(1H-pyrazolo[5,4-c]pyridin-4-yl)phenyl]urea;1-[2-fluoro-5-(trifluoromethyl)phenyl]-3-[4-(1H-pyrazolo[5,4-c]pyridin-4-yl)phenyl]urea;1-[4-(1H-pyrazolo[5,4-c]pyridin-4-yl)phenyl]-3-[3-(trifluoromethyl)phenyl]urea?

The canonical SMILES for 1-(2-fluoro-5-methylphenyl)-3-[4-(1H-pyrazolo[5,4-c]pyridin-4-yl)phenyl]urea;1-[2-fluoro-5-(trifluoromethyl)phenyl]-3-[4-(1H-pyrazolo[5,4-c]pyridin-4-yl)phenyl]urea;1-[4-(1H-pyrazolo[5,4-c]pyridin-4-yl)phenyl]-3-[3-(trifluoromethyl)phenyl]urea is Cc1ccc(F)c(NC(=O)Nc2ccc(-c3cncc4[nH]ncc34)cc2)c1.O=C(Nc1ccc(-c2cncc3[nH]ncc23)cc1)Nc1cc(C(F)(F)F)ccc1F.O=C(Nc1ccc(-c2cncc3[nH]ncc23)cc1)Nc1cccc(C(F)(F)F)c1.

What is the InChIKey of 1-(2-fluoro-5-methylphenyl)-3-[4-(1H-pyrazolo[5,4-c]pyridin-4-yl)phenyl]urea;1-[2-fluoro-5-(trifluoromethyl)phenyl]-3-[4-(1H-pyrazolo[5,4-c]pyridin-4-yl)phenyl]urea;1-[4-(1H-pyrazolo[5,4-c]pyridin-4-yl)phenyl]-3-[3-(trifluoromethyl)phenyl]urea?

The InChIKey is KHGBVJCKVNFXOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13F4N5O.C20H14F3N5O.C20H16FN5O/c21-16-6-3-12(20(22,23)24)7-17(16)28-19(30)27-13-4-1-11(2-5-13)14-8-25-10-18-15(14)9-26-29-18;21-20(22,23)13-2-1-3-15(8-13)27-19(29)26-14-6-4-12(5-7-14)16-9-24-11-18-17(16)10-25-28-18;1-12-2-7-17(21)18(8-12)25-20(27)24-14-5-3-13(4-6-14)15-9-22-11-19-16(15)10-23-26-19/h1-10H,(H,26,29)(H2,27,28,30);1-11H,(H,25,28)(H2,26,27,29);2-11H,1H3,(H,23,26)(H2,24,25,27).

What are the key properties of 1-(2-fluoro-5-methylphenyl)-3-[4-(1H-pyrazolo[5,4-c]pyridin-4-yl)phenyl]urea;1-[2-fluoro-5-(trifluoromethyl)phenyl]-3-[4-(1H-pyrazolo[5,4-c]pyridin-4-yl)phenyl]urea;1-[4-(1H-pyrazolo[5,4-c]pyridin-4-yl)phenyl]-3-[3-(trifluoromethyl)phenyl]urea?

1-(2-fluoro-5-methylphenyl)-3-[4-(1H-pyrazolo[5,4-c]pyridin-4-yl)phenyl]urea;1-[2-fluoro-5-(trifluoromethyl)phenyl]-3-[4-(1H-pyrazolo[5,4-c]pyridin-4-yl)phenyl]urea;1-[4-(1H-pyrazolo[5,4-c]pyridin-4-yl)phenyl]-3-[3-(trifluoromethyl)phenyl]urea has a molecular weight of 1174.09 g/mol, XLogP of 15.43, 9 rotatable bonds, 9 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(2-fluoro-5-methylphenyl)-3-[4-(1H-pyrazolo[5,4-c]pyridin-4-yl)phenyl]urea;1-[2-fluoro-5-(trifluoromethyl)phenyl]-3-[4-(1H-pyrazolo[5,4-c]pyridin-4-yl)phenyl]urea;1-[4-(1H-pyrazolo[5,4-c]pyridin-4-yl)phenyl]-3-[3-(trifluoromethyl)phenyl]urea is sourced from PubChem (CID 159133995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).