[1-[4-[(3-fluorophenyl)methylamino]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-2-yl]indazol-4-yl]methanol;[1-[4-[(3-fluorophenyl)methylamino]-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl]indazol-4-yl]methanol;[1-[4-[(3-fluorophenyl)methylamino]-5,6,7,8-tetrahydroquinazolin-2-yl]indazol-4-yl]methanol

C67H64F3N17O3 — CID 134247750

About [1-[4-[(3-fluorophenyl)methylamino]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-2-yl]indazol-4-yl]methanol;[1-[4-[(3-fluorophenyl)methylamino]-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl]indazol-4-yl]methanol;[1-[4-[(3-fluorophenyl)methylamino]-5,6,7,8-tetrahydroquinazolin-2-yl]indazol-4-yl]methanol

[1-[4-[(3-fluorophenyl)methylamino]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-2-yl]indazol-4-yl]methanol;[1-[4-[(3-fluorophenyl)methylamino]-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl]indazol-4-yl]methanol;[1-[4-[(3-fluorophenyl)methylamino]-5,6,7,8-tetrahydroquinazolin-2-yl]indazol-4-yl]methanol (PubChem CID 134247750) has the molecular formula C67H64F3N17O3 and a molecular weight of 1212.36 g/mol. Its IUPAC name is [1-[4-[(3-fluorophenyl)methylamino]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-2-yl]indazol-4-yl]methanol;[1-[4-[(3-fluorophenyl)methylamino]-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl]indazol-4-yl]methanol;[1-[4-[(3-fluorophenyl)methylamino]-5,6,7,8-tetrahydroquinazolin-2-yl]indazol-4-yl]methanol.

Molecular Properties

• Compound Name: [1-[4-[(3-fluorophenyl)methylamino]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-2-yl]indazol-4-yl]methanol;[1-[4-[(3-fluorophenyl)methylamino]-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl]indazol-4-yl]methanol;[1-[4-[(3-fluorophenyl)methylamino]-5,6,7,8-tetrahydroquinazolin-2-yl]indazol-4-yl]methanol
• PubChem CID: 134247750
• Molecular Formula: C67H64F3N17O3
• Molecular Weight: 1212.36 g/mol
• Exact Mass: 1211.53
• IUPAC Name: [1-[4-[(3-fluorophenyl)methylamino]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-2-yl]indazol-4-yl]methanol;[1-[4-[(3-fluorophenyl)methylamino]-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl]indazol-4-yl]methanol;[1-[4-[(3-fluorophenyl)methylamino]-5,6,7,8-tetrahydroquinazolin-2-yl]indazol-4-yl]methanol
• SMILES: OCc1cccc2c1cnn2-c1nc2c(c(NCc3cccc(F)c3)n1)CCCC2.OCc1cccc2c1cnn2-c1nc2c(c(NCc3cccc(F)c3)n1)CCNC2.OCc1cccc2c1cnn2-c1nc2c(c(NCc3cccc(F)c3)n1)CNCC2
• InChI: InChI=1S/C23H22FN5O.2C22H21FN6O/c24-17-7-3-5-15(11-17)12-25-22-18-8-1-2-9-20(18)27-23(28-22)29-21-10-4-6-16(14-30)19(21)13-26-29;23-16-5-1-3-14(9-16)10-25-21-18-11-24-8-7-19(18)27-22(28-21)29-20-6-2-4-15(13-30)17(20)12-26-29;23-16-5-1-3-14(9-16)10-25-21-17-7-8-24-12-19(17)27-22(28-21)29-20-6-2-4-15(13-30)18(20)11-26-29/h3-7,10-11,13,30H,1-2,8-9,12,14H2,(H,25,27,28);1-6,9,12,24,30H,7-8,10-11,13H2,(H,25,27,28);1-6,9,11,24,30H,7-8,10,12-13H2,(H,25,27,28)
• InChIKey: MKVAYTZJOKZLMD-UHFFFAOYSA-N
• XLogP: 9.35
• TPSA: 251.64 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 20
• Rotatable Bonds: 15
• Heavy Atoms: 90
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1212.36
LogP ≤ 5	9.35
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	20

Frequently Asked Questions

What is the IUPAC name of [1-[4-[(3-fluorophenyl)methylamino]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-2-yl]indazol-4-yl]methanol;[1-[4-[(3-fluorophenyl)methylamino]-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl]indazol-4-yl]methanol;[1-[4-[(3-fluorophenyl)methylamino]-5,6,7,8-tetrahydroquinazolin-2-yl]indazol-4-yl]methanol?

The IUPAC name of [1-[4-[(3-fluorophenyl)methylamino]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-2-yl]indazol-4-yl]methanol;[1-[4-[(3-fluorophenyl)methylamino]-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl]indazol-4-yl]methanol;[1-[4-[(3-fluorophenyl)methylamino]-5,6,7,8-tetrahydroquinazolin-2-yl]indazol-4-yl]methanol (CID 134247750) is [1-[4-[(3-fluorophenyl)methylamino]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-2-yl]indazol-4-yl]methanol;[1-[4-[(3-fluorophenyl)methylamino]-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl]indazol-4-yl]methanol;[1-[4-[(3-fluorophenyl)methylamino]-5,6,7,8-tetrahydroquinazolin-2-yl]indazol-4-yl]methanol.

What is the SMILES notation for [1-[4-[(3-fluorophenyl)methylamino]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-2-yl]indazol-4-yl]methanol;[1-[4-[(3-fluorophenyl)methylamino]-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl]indazol-4-yl]methanol;[1-[4-[(3-fluorophenyl)methylamino]-5,6,7,8-tetrahydroquinazolin-2-yl]indazol-4-yl]methanol?

The canonical SMILES for [1-[4-[(3-fluorophenyl)methylamino]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-2-yl]indazol-4-yl]methanol;[1-[4-[(3-fluorophenyl)methylamino]-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl]indazol-4-yl]methanol;[1-[4-[(3-fluorophenyl)methylamino]-5,6,7,8-tetrahydroquinazolin-2-yl]indazol-4-yl]methanol is OCc1cccc2c1cnn2-c1nc2c(c(NCc3cccc(F)c3)n1)CCCC2.OCc1cccc2c1cnn2-c1nc2c(c(NCc3cccc(F)c3)n1)CCNC2.OCc1cccc2c1cnn2-c1nc2c(c(NCc3cccc(F)c3)n1)CNCC2.

What is the InChIKey of [1-[4-[(3-fluorophenyl)methylamino]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-2-yl]indazol-4-yl]methanol;[1-[4-[(3-fluorophenyl)methylamino]-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl]indazol-4-yl]methanol;[1-[4-[(3-fluorophenyl)methylamino]-5,6,7,8-tetrahydroquinazolin-2-yl]indazol-4-yl]methanol?

The InChIKey is MKVAYTZJOKZLMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22FN5O.2C22H21FN6O/c24-17-7-3-5-15(11-17)12-25-22-18-8-1-2-9-20(18)27-23(28-22)29-21-10-4-6-16(14-30)19(21)13-26-29;23-16-5-1-3-14(9-16)10-25-21-18-11-24-8-7-19(18)27-22(28-21)29-20-6-2-4-15(13-30)17(20)12-26-29;23-16-5-1-3-14(9-16)10-25-21-17-7-8-24-12-19(17)27-22(28-21)29-20-6-2-4-15(13-30)18(20)11-26-29/h3-7,10-11,13,30H,1-2,8-9,12,14H2,(H,25,27,28);1-6,9,12,24,30H,7-8,10-11,13H2,(H,25,27,28);1-6,9,11,24,30H,7-8,10,12-13H2,(H,25,27,28).

What are the key properties of [1-[4-[(3-fluorophenyl)methylamino]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-2-yl]indazol-4-yl]methanol;[1-[4-[(3-fluorophenyl)methylamino]-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl]indazol-4-yl]methanol;[1-[4-[(3-fluorophenyl)methylamino]-5,6,7,8-tetrahydroquinazolin-2-yl]indazol-4-yl]methanol?

[1-[4-[(3-fluorophenyl)methylamino]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-2-yl]indazol-4-yl]methanol;[1-[4-[(3-fluorophenyl)methylamino]-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl]indazol-4-yl]methanol;[1-[4-[(3-fluorophenyl)methylamino]-5,6,7,8-tetrahydroquinazolin-2-yl]indazol-4-yl]methanol has a molecular weight of 1212.36 g/mol, XLogP of 9.35, 15 rotatable bonds, 8 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for [1-[4-[(3-fluorophenyl)methylamino]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-2-yl]indazol-4-yl]methanol;[1-[4-[(3-fluorophenyl)methylamino]-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl]indazol-4-yl]methanol;[1-[4-[(3-fluorophenyl)methylamino]-5,6,7,8-tetrahydroquinazolin-2-yl]indazol-4-yl]methanol is sourced from PubChem (CID 134247750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).