N-(5-fluoro-1H-indazol-3-yl)-2-[2-(trifluoromethoxy)phenyl]-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine;N-(7-fluoro-1H-indazol-3-yl)-2-[2-(trifluoromethyl)phenyl]-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine;N-(5-fluoro-1H-indazol-3-yl)-2-[2-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine;N-(1H-indazol-3-yl)-2-[2-(trifluoromethyl)phenyl]-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine

C90H74F15N21O — CID 160687311

About N-(5-fluoro-1H-indazol-3-yl)-2-[2-(trifluoromethoxy)phenyl]-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine;N-(7-fluoro-1H-indazol-3-yl)-2-[2-(trifluoromethyl)phenyl]-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine;N-(5-fluoro-1H-indazol-3-yl)-2-[2-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine;N-(1H-indazol-3-yl)-2-[2-(trifluoromethyl)phenyl]-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine

N-(5-fluoro-1H-indazol-3-yl)-2-[2-(trifluoromethoxy)phenyl]-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine;N-(7-fluoro-1H-indazol-3-yl)-2-[2-(trifluoromethyl)phenyl]-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine;N-(5-fluoro-1H-indazol-3-yl)-2-[2-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine;N-(1H-indazol-3-yl)-2-[2-(trifluoromethyl)phenyl]-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine (PubChem CID 160687311) has the molecular formula C90H74F15N21O and a molecular weight of 1750.70 g/mol. Its IUPAC name is N-(5-fluoro-1H-indazol-3-yl)-2-[2-(trifluoromethoxy)phenyl]-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine;N-(7-fluoro-1H-indazol-3-yl)-2-[2-(trifluoromethyl)phenyl]-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine;N-(5-fluoro-1H-indazol-3-yl)-2-[2-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine;N-(1H-indazol-3-yl)-2-[2-(trifluoromethyl)phenyl]-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine.

Molecular Properties

• Compound Name: N-(5-fluoro-1H-indazol-3-yl)-2-[2-(trifluoromethoxy)phenyl]-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine;N-(7-fluoro-1H-indazol-3-yl)-2-[2-(trifluoromethyl)phenyl]-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine;N-(5-fluoro-1H-indazol-3-yl)-2-[2-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine;N-(1H-indazol-3-yl)-2-[2-(trifluoromethyl)phenyl]-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine
• PubChem CID: 160687311
• Molecular Formula: C90H74F15N21O
• Molecular Weight: 1750.70 g/mol
• Exact Mass: 1749.61
• IUPAC Name: N-(5-fluoro-1H-indazol-3-yl)-2-[2-(trifluoromethoxy)phenyl]-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine;N-(7-fluoro-1H-indazol-3-yl)-2-[2-(trifluoromethyl)phenyl]-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine;N-(5-fluoro-1H-indazol-3-yl)-2-[2-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine;N-(1H-indazol-3-yl)-2-[2-(trifluoromethyl)phenyl]-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine
• SMILES: FC(F)(F)c1ccccc1-c1nc2c(c(Nc3n[nH]c4ccccc34)n1)CCCCC2.Fc1ccc2[nH]nc(Nc3nc(-c4ccccc4C(F)(F)F)nc4c3CNCC4)c2c1.Fc1ccc2[nH]nc(Nc3nc(-c4ccccc4OC(F)(F)F)nc4c3CCCCC4)c2c1.Fc1cccc2c(Nc3nc(-c4ccccc4C(F)(F)F)nc4c3CCCCC4)n[nH]c12
• InChI: InChI=1S/C23H19F4N5O.C23H19F4N5.C23H20F3N5.C21H16F4N6/c24-13-10-11-18-16(12-13)22(32-31-18)30-20-14-6-2-1-3-8-17(14)28-21(29-20)15-7-4-5-9-19(15)33-23(25,26)27;24-17-11-6-9-15-19(17)31-32-22(15)30-21-14-8-2-1-3-12-18(14)28-20(29-21)13-7-4-5-10-16(13)23(25,26)27;24-23(25,26)17-11-6-4-8-14(17)20-27-18-12-3-1-2-9-15(18)21(28-20)29-22-16-10-5-7-13-19(16)30-31-22;22-11-5-6-17-13(9-11)20(31-30-17)29-19-14-10-26-8-7-16(14)27-18(28-19)12-3-1-2-4-15(12)21(23,24)25/h4-5,7,9-12H,1-3,6,8H2,(H2,28,29,30,31,32);4-7,9-11H,1-3,8,12H2,(H2,28,29,30,31,32);4-8,10-11,13H,1-3,9,12H2,(H2,27,28,29,30,31);1-6,9,26H,7-8,10H2,(H2,27,28,29,30,31)
• InChIKey: ROXYFSYXRBHSNI-UHFFFAOYSA-N
• XLogP: 22.88
• TPSA: 287.22 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 18
• Rotatable Bonds: 13
• Heavy Atoms: 127
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1750.70
LogP ≤ 5	22.88
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	18

Frequently Asked Questions

What is the IUPAC name of N-(5-fluoro-1H-indazol-3-yl)-2-[2-(trifluoromethoxy)phenyl]-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine;N-(7-fluoro-1H-indazol-3-yl)-2-[2-(trifluoromethyl)phenyl]-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine;N-(5-fluoro-1H-indazol-3-yl)-2-[2-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine;N-(1H-indazol-3-yl)-2-[2-(trifluoromethyl)phenyl]-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine?

The IUPAC name of N-(5-fluoro-1H-indazol-3-yl)-2-[2-(trifluoromethoxy)phenyl]-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine;N-(7-fluoro-1H-indazol-3-yl)-2-[2-(trifluoromethyl)phenyl]-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine;N-(5-fluoro-1H-indazol-3-yl)-2-[2-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine;N-(1H-indazol-3-yl)-2-[2-(trifluoromethyl)phenyl]-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine (CID 160687311) is N-(5-fluoro-1H-indazol-3-yl)-2-[2-(trifluoromethoxy)phenyl]-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine;N-(7-fluoro-1H-indazol-3-yl)-2-[2-(trifluoromethyl)phenyl]-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine;N-(5-fluoro-1H-indazol-3-yl)-2-[2-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine;N-(1H-indazol-3-yl)-2-[2-(trifluoromethyl)phenyl]-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine.

What is the SMILES notation for N-(5-fluoro-1H-indazol-3-yl)-2-[2-(trifluoromethoxy)phenyl]-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine;N-(7-fluoro-1H-indazol-3-yl)-2-[2-(trifluoromethyl)phenyl]-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine;N-(5-fluoro-1H-indazol-3-yl)-2-[2-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine;N-(1H-indazol-3-yl)-2-[2-(trifluoromethyl)phenyl]-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine?

The canonical SMILES for N-(5-fluoro-1H-indazol-3-yl)-2-[2-(trifluoromethoxy)phenyl]-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine;N-(7-fluoro-1H-indazol-3-yl)-2-[2-(trifluoromethyl)phenyl]-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine;N-(5-fluoro-1H-indazol-3-yl)-2-[2-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine;N-(1H-indazol-3-yl)-2-[2-(trifluoromethyl)phenyl]-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine is FC(F)(F)c1ccccc1-c1nc2c(c(Nc3n[nH]c4ccccc34)n1)CCCCC2.Fc1ccc2[nH]nc(Nc3nc(-c4ccccc4C(F)(F)F)nc4c3CNCC4)c2c1.Fc1ccc2[nH]nc(Nc3nc(-c4ccccc4OC(F)(F)F)nc4c3CCCCC4)c2c1.Fc1cccc2c(Nc3nc(-c4ccccc4C(F)(F)F)nc4c3CCCCC4)n[nH]c12.

What is the InChIKey of N-(5-fluoro-1H-indazol-3-yl)-2-[2-(trifluoromethoxy)phenyl]-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine;N-(7-fluoro-1H-indazol-3-yl)-2-[2-(trifluoromethyl)phenyl]-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine;N-(5-fluoro-1H-indazol-3-yl)-2-[2-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine;N-(1H-indazol-3-yl)-2-[2-(trifluoromethyl)phenyl]-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine?

The InChIKey is ROXYFSYXRBHSNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19F4N5O.C23H19F4N5.C23H20F3N5.C21H16F4N6/c24-13-10-11-18-16(12-13)22(32-31-18)30-20-14-6-2-1-3-8-17(14)28-21(29-20)15-7-4-5-9-19(15)33-23(25,26)27;24-17-11-6-9-15-19(17)31-32-22(15)30-21-14-8-2-1-3-12-18(14)28-20(29-21)13-7-4-5-10-16(13)23(25,26)27;24-23(25,26)17-11-6-4-8-14(17)20-27-18-12-3-1-2-9-15(18)21(28-20)29-22-16-10-5-7-13-19(16)30-31-22;22-11-5-6-17-13(9-11)20(31-30-17)29-19-14-10-26-8-7-16(14)27-18(28-19)12-3-1-2-4-15(12)21(23,24)25/h4-5,7,9-12H,1-3,6,8H2,(H2,28,29,30,31,32);4-7,9-11H,1-3,8,12H2,(H2,28,29,30,31,32);4-8,10-11,13H,1-3,9,12H2,(H2,27,28,29,30,31);1-6,9,26H,7-8,10H2,(H2,27,28,29,30,31).

What are the key properties of N-(5-fluoro-1H-indazol-3-yl)-2-[2-(trifluoromethoxy)phenyl]-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine;N-(7-fluoro-1H-indazol-3-yl)-2-[2-(trifluoromethyl)phenyl]-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine;N-(5-fluoro-1H-indazol-3-yl)-2-[2-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine;N-(1H-indazol-3-yl)-2-[2-(trifluoromethyl)phenyl]-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine?

N-(5-fluoro-1H-indazol-3-yl)-2-[2-(trifluoromethoxy)phenyl]-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine;N-(7-fluoro-1H-indazol-3-yl)-2-[2-(trifluoromethyl)phenyl]-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine;N-(5-fluoro-1H-indazol-3-yl)-2-[2-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine;N-(1H-indazol-3-yl)-2-[2-(trifluoromethyl)phenyl]-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine has a molecular weight of 1750.70 g/mol, XLogP of 22.88, 13 rotatable bonds, 9 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for N-(5-fluoro-1H-indazol-3-yl)-2-[2-(trifluoromethoxy)phenyl]-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine;N-(7-fluoro-1H-indazol-3-yl)-2-[2-(trifluoromethyl)phenyl]-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine;N-(5-fluoro-1H-indazol-3-yl)-2-[2-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine;N-(1H-indazol-3-yl)-2-[2-(trifluoromethyl)phenyl]-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine is sourced from PubChem (CID 160687311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).