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

C72H65F10N19O4 — CID 159845043

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

1-[2-fluoro-4-(1H-pyrazolo[5,4-c]pyridin-4-yl)phenyl]-3-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]urea;1-[2-hydroxy-4-(1H-pyrazolo[5,4-c]pyridin-4-yl)phenyl]-3-[3-(trifluoromethyl)phenyl]urea;1-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-3-[4-(1H-pyrazolo[5,4-c]pyridin-4-yl)phenyl]urea (PubChem CID 159845043) has the molecular formula C72H65F10N19O4 and a molecular weight of 1450.42 g/mol. Its IUPAC name is 1-[2-fluoro-4-(1H-pyrazolo[5,4-c]pyridin-4-yl)phenyl]-3-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]urea;1-[2-hydroxy-4-(1H-pyrazolo[5,4-c]pyridin-4-yl)phenyl]-3-[3-(trifluoromethyl)phenyl]urea;1-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-3-[4-(1H-pyrazolo[5,4-c]pyridin-4-yl)phenyl]urea.

Molecular Properties

• Compound Name: 1-[2-fluoro-4-(1H-pyrazolo[5,4-c]pyridin-4-yl)phenyl]-3-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]urea;1-[2-hydroxy-4-(1H-pyrazolo[5,4-c]pyridin-4-yl)phenyl]-3-[3-(trifluoromethyl)phenyl]urea;1-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-3-[4-(1H-pyrazolo[5,4-c]pyridin-4-yl)phenyl]urea
• PubChem CID: 159845043
• Molecular Formula: C72H65F10N19O4
• Molecular Weight: 1450.42 g/mol
• Exact Mass: 1449.53
• IUPAC Name: 1-[2-fluoro-4-(1H-pyrazolo[5,4-c]pyridin-4-yl)phenyl]-3-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]urea;1-[2-hydroxy-4-(1H-pyrazolo[5,4-c]pyridin-4-yl)phenyl]-3-[3-(trifluoromethyl)phenyl]urea;1-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-3-[4-(1H-pyrazolo[5,4-c]pyridin-4-yl)phenyl]urea
• SMILES: CN1CCN(Cc2ccc(NC(=O)Nc3ccc(-c4cncc5[nH]ncc45)cc3)cc2C(F)(F)F)CC1.CN1CCN(Cc2ccc(NC(=O)Nc3ccc(-c4cncc5[nH]ncc45)cc3F)cc2C(F)(F)F)CC1.O=C(Nc1cccc(C(F)(F)F)c1)Nc1ccc(-c2cncc3[nH]ncc23)cc1O
• InChI: InChI=1S/C26H25F4N7O.C26H26F3N7O.C20H14F3N5O2/c1-36-6-8-37(9-7-36)15-17-2-4-18(11-21(17)26(28,29)30)33-25(38)34-23-5-3-16(10-22(23)27)19-12-31-14-24-20(19)13-32-35-24;1-35-8-10-36(11-9-35)16-18-4-7-20(12-23(18)26(27,28)29)33-25(37)32-19-5-2-17(3-6-19)21-13-30-15-24-22(21)14-31-34-24;21-20(22,23)12-2-1-3-13(7-12)26-19(30)27-16-5-4-11(6-18(16)29)14-8-24-10-17-15(14)9-25-28-17/h2-5,10-14H,6-9,15H2,1H3,(H,32,35)(H2,33,34,38);2-7,12-15H,8-11,16H2,1H3,(H,31,34)(H2,32,33,37);1-10,29H,(H,25,28)(H2,26,27,30)
• InChIKey: NPENTIUZXMVTJL-UHFFFAOYSA-N
• XLogP: 15.20
• TPSA: 281.29 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 14
• Rotatable Bonds: 13
• Heavy Atoms: 105
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1450.42
LogP ≤ 5	15.20
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	14

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'catechol', 'substructure': 'N/A'}

Frequently Asked Questions

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

The IUPAC name of 1-[2-fluoro-4-(1H-pyrazolo[5,4-c]pyridin-4-yl)phenyl]-3-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]urea;1-[2-hydroxy-4-(1H-pyrazolo[5,4-c]pyridin-4-yl)phenyl]-3-[3-(trifluoromethyl)phenyl]urea;1-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-3-[4-(1H-pyrazolo[5,4-c]pyridin-4-yl)phenyl]urea (CID 159845043) is 1-[2-fluoro-4-(1H-pyrazolo[5,4-c]pyridin-4-yl)phenyl]-3-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]urea;1-[2-hydroxy-4-(1H-pyrazolo[5,4-c]pyridin-4-yl)phenyl]-3-[3-(trifluoromethyl)phenyl]urea;1-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-3-[4-(1H-pyrazolo[5,4-c]pyridin-4-yl)phenyl]urea.

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

The canonical SMILES for 1-[2-fluoro-4-(1H-pyrazolo[5,4-c]pyridin-4-yl)phenyl]-3-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]urea;1-[2-hydroxy-4-(1H-pyrazolo[5,4-c]pyridin-4-yl)phenyl]-3-[3-(trifluoromethyl)phenyl]urea;1-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-3-[4-(1H-pyrazolo[5,4-c]pyridin-4-yl)phenyl]urea is CN1CCN(Cc2ccc(NC(=O)Nc3ccc(-c4cncc5[nH]ncc45)cc3)cc2C(F)(F)F)CC1.CN1CCN(Cc2ccc(NC(=O)Nc3ccc(-c4cncc5[nH]ncc45)cc3F)cc2C(F)(F)F)CC1.O=C(Nc1cccc(C(F)(F)F)c1)Nc1ccc(-c2cncc3[nH]ncc23)cc1O.

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

The InChIKey is NPENTIUZXMVTJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25F4N7O.C26H26F3N7O.C20H14F3N5O2/c1-36-6-8-37(9-7-36)15-17-2-4-18(11-21(17)26(28,29)30)33-25(38)34-23-5-3-16(10-22(23)27)19-12-31-14-24-20(19)13-32-35-24;1-35-8-10-36(11-9-35)16-18-4-7-20(12-23(18)26(27,28)29)33-25(37)32-19-5-2-17(3-6-19)21-13-30-15-24-22(21)14-31-34-24;21-20(22,23)12-2-1-3-13(7-12)26-19(30)27-16-5-4-11(6-18(16)29)14-8-24-10-17-15(14)9-25-28-17/h2-5,10-14H,6-9,15H2,1H3,(H,32,35)(H2,33,34,38);2-7,12-15H,8-11,16H2,1H3,(H,31,34)(H2,32,33,37);1-10,29H,(H,25,28)(H2,26,27,30).

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

1-[2-fluoro-4-(1H-pyrazolo[5,4-c]pyridin-4-yl)phenyl]-3-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]urea;1-[2-hydroxy-4-(1H-pyrazolo[5,4-c]pyridin-4-yl)phenyl]-3-[3-(trifluoromethyl)phenyl]urea;1-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-3-[4-(1H-pyrazolo[5,4-c]pyridin-4-yl)phenyl]urea has a molecular weight of 1450.42 g/mol, XLogP of 15.20, 13 rotatable bonds, 10 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[2-fluoro-4-(1H-pyrazolo[5,4-c]pyridin-4-yl)phenyl]-3-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]urea;1-[2-hydroxy-4-(1H-pyrazolo[5,4-c]pyridin-4-yl)phenyl]-3-[3-(trifluoromethyl)phenyl]urea;1-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-3-[4-(1H-pyrazolo[5,4-c]pyridin-4-yl)phenyl]urea is sourced from PubChem (CID 159845043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).