1-[4-[(1-methylpiperidin-4-yl)methyl]-3-(trifluoromethyl)phenyl]-3-[4-(1-methylpyrazolo[5,4-c]pyridin-4-yl)phenyl]urea;1-[4-(1-methylpyrazolo[5,4-c]pyridin-4-yl)phenyl]-3-[4-(oxan-4-yloxy)-3-(trifluoromethyl)phenyl]urea;1-[4-(1-methylpyrazolo[5,4-c]pyridin-4-yl)phenyl]-3-[4-piperidin-4-yloxy-3-(trifluoromethyl)phenyl]urea

C80H78F9N17O6 — CID 159080066

About 1-[4-[(1-methylpiperidin-4-yl)methyl]-3-(trifluoromethyl)phenyl]-3-[4-(1-methylpyrazolo[5,4-c]pyridin-4-yl)phenyl]urea;1-[4-(1-methylpyrazolo[5,4-c]pyridin-4-yl)phenyl]-3-[4-(oxan-4-yloxy)-3-(trifluoromethyl)phenyl]urea;1-[4-(1-methylpyrazolo[5,4-c]pyridin-4-yl)phenyl]-3-[4-piperidin-4-yloxy-3-(trifluoromethyl)phenyl]urea

1-[4-[(1-methylpiperidin-4-yl)methyl]-3-(trifluoromethyl)phenyl]-3-[4-(1-methylpyrazolo[5,4-c]pyridin-4-yl)phenyl]urea;1-[4-(1-methylpyrazolo[5,4-c]pyridin-4-yl)phenyl]-3-[4-(oxan-4-yloxy)-3-(trifluoromethyl)phenyl]urea;1-[4-(1-methylpyrazolo[5,4-c]pyridin-4-yl)phenyl]-3-[4-piperidin-4-yloxy-3-(trifluoromethyl)phenyl]urea (PubChem CID 159080066) has the molecular formula C80H78F9N17O6 and a molecular weight of 1544.60 g/mol. Its IUPAC name is 1-[4-[(1-methylpiperidin-4-yl)methyl]-3-(trifluoromethyl)phenyl]-3-[4-(1-methylpyrazolo[5,4-c]pyridin-4-yl)phenyl]urea;1-[4-(1-methylpyrazolo[5,4-c]pyridin-4-yl)phenyl]-3-[4-(oxan-4-yloxy)-3-(trifluoromethyl)phenyl]urea;1-[4-(1-methylpyrazolo[5,4-c]pyridin-4-yl)phenyl]-3-[4-piperidin-4-yloxy-3-(trifluoromethyl)phenyl]urea.

Molecular Properties

• Compound Name: 1-[4-[(1-methylpiperidin-4-yl)methyl]-3-(trifluoromethyl)phenyl]-3-[4-(1-methylpyrazolo[5,4-c]pyridin-4-yl)phenyl]urea;1-[4-(1-methylpyrazolo[5,4-c]pyridin-4-yl)phenyl]-3-[4-(oxan-4-yloxy)-3-(trifluoromethyl)phenyl]urea;1-[4-(1-methylpyrazolo[5,4-c]pyridin-4-yl)phenyl]-3-[4-piperidin-4-yloxy-3-(trifluoromethyl)phenyl]urea
• PubChem CID: 159080066
• Molecular Formula: C80H78F9N17O6
• Molecular Weight: 1544.60 g/mol
• Exact Mass: 1543.62
• IUPAC Name: 1-[4-[(1-methylpiperidin-4-yl)methyl]-3-(trifluoromethyl)phenyl]-3-[4-(1-methylpyrazolo[5,4-c]pyridin-4-yl)phenyl]urea;1-[4-(1-methylpyrazolo[5,4-c]pyridin-4-yl)phenyl]-3-[4-(oxan-4-yloxy)-3-(trifluoromethyl)phenyl]urea;1-[4-(1-methylpyrazolo[5,4-c]pyridin-4-yl)phenyl]-3-[4-piperidin-4-yloxy-3-(trifluoromethyl)phenyl]urea
• SMILES: CN1CCC(Cc2ccc(NC(=O)Nc3ccc(-c4cncc5c4cnn5C)cc3)cc2C(F)(F)F)CC1.Cn1ncc2c(-c3ccc(NC(=O)Nc4ccc(OC5CCNCC5)c(C(F)(F)F)c4)cc3)cncc21.Cn1ncc2c(-c3ccc(NC(=O)Nc4ccc(OC5CCOCC5)c(C(F)(F)F)c4)cc3)cncc21
• InChI: InChI=1S/C28H29F3N6O.C26H25F3N6O2.C26H24F3N5O3/c1-36-11-9-18(10-12-36)13-20-5-8-22(14-25(20)28(29,30)31)35-27(38)34-21-6-3-19(4-7-21)23-15-32-17-26-24(23)16-33-37(26)2;1-35-23-15-31-13-20(21(23)14-32-35)16-2-4-17(5-3-16)33-25(36)34-18-6-7-24(22(12-18)26(27,28)29)37-19-8-10-30-11-9-19;1-34-23-15-30-13-20(21(23)14-31-34)16-2-4-17(5-3-16)32-25(35)33-18-6-7-24(22(12-18)26(27,28)29)37-19-8-10-36-11-9-19/h3-8,14-18H,9-13H2,1-2H3,(H2,34,35,38);2-7,12-15,19,30H,8-11H2,1H3,(H2,33,34,36);2-7,12-15,19H,8-11H2,1H3,(H2,32,33,35)
• InChIKey: KASYGAOTGMDOCG-UHFFFAOYSA-N
• XLogP: 17.47
• TPSA: 258.48 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 17
• Rotatable Bonds: 15
• Heavy Atoms: 112
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1544.60
LogP ≤ 5	17.47
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	17

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(1-methylpiperidin-4-yl)methyl]-3-(trifluoromethyl)phenyl]-3-[4-(1-methylpyrazolo[5,4-c]pyridin-4-yl)phenyl]urea;1-[4-(1-methylpyrazolo[5,4-c]pyridin-4-yl)phenyl]-3-[4-(oxan-4-yloxy)-3-(trifluoromethyl)phenyl]urea;1-[4-(1-methylpyrazolo[5,4-c]pyridin-4-yl)phenyl]-3-[4-piperidin-4-yloxy-3-(trifluoromethyl)phenyl]urea?

The IUPAC name of 1-[4-[(1-methylpiperidin-4-yl)methyl]-3-(trifluoromethyl)phenyl]-3-[4-(1-methylpyrazolo[5,4-c]pyridin-4-yl)phenyl]urea;1-[4-(1-methylpyrazolo[5,4-c]pyridin-4-yl)phenyl]-3-[4-(oxan-4-yloxy)-3-(trifluoromethyl)phenyl]urea;1-[4-(1-methylpyrazolo[5,4-c]pyridin-4-yl)phenyl]-3-[4-piperidin-4-yloxy-3-(trifluoromethyl)phenyl]urea (CID 159080066) is 1-[4-[(1-methylpiperidin-4-yl)methyl]-3-(trifluoromethyl)phenyl]-3-[4-(1-methylpyrazolo[5,4-c]pyridin-4-yl)phenyl]urea;1-[4-(1-methylpyrazolo[5,4-c]pyridin-4-yl)phenyl]-3-[4-(oxan-4-yloxy)-3-(trifluoromethyl)phenyl]urea;1-[4-(1-methylpyrazolo[5,4-c]pyridin-4-yl)phenyl]-3-[4-piperidin-4-yloxy-3-(trifluoromethyl)phenyl]urea.

What is the SMILES notation for 1-[4-[(1-methylpiperidin-4-yl)methyl]-3-(trifluoromethyl)phenyl]-3-[4-(1-methylpyrazolo[5,4-c]pyridin-4-yl)phenyl]urea;1-[4-(1-methylpyrazolo[5,4-c]pyridin-4-yl)phenyl]-3-[4-(oxan-4-yloxy)-3-(trifluoromethyl)phenyl]urea;1-[4-(1-methylpyrazolo[5,4-c]pyridin-4-yl)phenyl]-3-[4-piperidin-4-yloxy-3-(trifluoromethyl)phenyl]urea?

The canonical SMILES for 1-[4-[(1-methylpiperidin-4-yl)methyl]-3-(trifluoromethyl)phenyl]-3-[4-(1-methylpyrazolo[5,4-c]pyridin-4-yl)phenyl]urea;1-[4-(1-methylpyrazolo[5,4-c]pyridin-4-yl)phenyl]-3-[4-(oxan-4-yloxy)-3-(trifluoromethyl)phenyl]urea;1-[4-(1-methylpyrazolo[5,4-c]pyridin-4-yl)phenyl]-3-[4-piperidin-4-yloxy-3-(trifluoromethyl)phenyl]urea is CN1CCC(Cc2ccc(NC(=O)Nc3ccc(-c4cncc5c4cnn5C)cc3)cc2C(F)(F)F)CC1.Cn1ncc2c(-c3ccc(NC(=O)Nc4ccc(OC5CCNCC5)c(C(F)(F)F)c4)cc3)cncc21.Cn1ncc2c(-c3ccc(NC(=O)Nc4ccc(OC5CCOCC5)c(C(F)(F)F)c4)cc3)cncc21.

What is the InChIKey of 1-[4-[(1-methylpiperidin-4-yl)methyl]-3-(trifluoromethyl)phenyl]-3-[4-(1-methylpyrazolo[5,4-c]pyridin-4-yl)phenyl]urea;1-[4-(1-methylpyrazolo[5,4-c]pyridin-4-yl)phenyl]-3-[4-(oxan-4-yloxy)-3-(trifluoromethyl)phenyl]urea;1-[4-(1-methylpyrazolo[5,4-c]pyridin-4-yl)phenyl]-3-[4-piperidin-4-yloxy-3-(trifluoromethyl)phenyl]urea?

The InChIKey is KASYGAOTGMDOCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29F3N6O.C26H25F3N6O2.C26H24F3N5O3/c1-36-11-9-18(10-12-36)13-20-5-8-22(14-25(20)28(29,30)31)35-27(38)34-21-6-3-19(4-7-21)23-15-32-17-26-24(23)16-33-37(26)2;1-35-23-15-31-13-20(21(23)14-32-35)16-2-4-17(5-3-16)33-25(36)34-18-6-7-24(22(12-18)26(27,28)29)37-19-8-10-30-11-9-19;1-34-23-15-30-13-20(21(23)14-31-34)16-2-4-17(5-3-16)32-25(35)33-18-6-7-24(22(12-18)26(27,28)29)37-19-8-10-36-11-9-19/h3-8,14-18H,9-13H2,1-2H3,(H2,34,35,38);2-7,12-15,19,30H,8-11H2,1H3,(H2,33,34,36);2-7,12-15,19H,8-11H2,1H3,(H2,32,33,35).

What are the key properties of 1-[4-[(1-methylpiperidin-4-yl)methyl]-3-(trifluoromethyl)phenyl]-3-[4-(1-methylpyrazolo[5,4-c]pyridin-4-yl)phenyl]urea;1-[4-(1-methylpyrazolo[5,4-c]pyridin-4-yl)phenyl]-3-[4-(oxan-4-yloxy)-3-(trifluoromethyl)phenyl]urea;1-[4-(1-methylpyrazolo[5,4-c]pyridin-4-yl)phenyl]-3-[4-piperidin-4-yloxy-3-(trifluoromethyl)phenyl]urea?

1-[4-[(1-methylpiperidin-4-yl)methyl]-3-(trifluoromethyl)phenyl]-3-[4-(1-methylpyrazolo[5,4-c]pyridin-4-yl)phenyl]urea;1-[4-(1-methylpyrazolo[5,4-c]pyridin-4-yl)phenyl]-3-[4-(oxan-4-yloxy)-3-(trifluoromethyl)phenyl]urea;1-[4-(1-methylpyrazolo[5,4-c]pyridin-4-yl)phenyl]-3-[4-piperidin-4-yloxy-3-(trifluoromethyl)phenyl]urea has a molecular weight of 1544.60 g/mol, XLogP of 17.47, 15 rotatable bonds, 7 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[4-[(1-methylpiperidin-4-yl)methyl]-3-(trifluoromethyl)phenyl]-3-[4-(1-methylpyrazolo[5,4-c]pyridin-4-yl)phenyl]urea;1-[4-(1-methylpyrazolo[5,4-c]pyridin-4-yl)phenyl]-3-[4-(oxan-4-yloxy)-3-(trifluoromethyl)phenyl]urea;1-[4-(1-methylpyrazolo[5,4-c]pyridin-4-yl)phenyl]-3-[4-piperidin-4-yloxy-3-(trifluoromethyl)phenyl]urea is sourced from PubChem (CID 159080066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).