8-N-(2-aminoethyl)-4-N-(1H-indazol-3-yl)-2-[2-(trifluoromethyl)phenyl]quinazoline-4,8-diamine;4-N-(7-fluoro-1H-indazol-3-yl)-6-N-[2-(methylamino)ethyl]-2-[2-(trifluoromethyl)phenyl]quinazoline-4,6-diamine;N-(5-fluoro-1H-indazol-3-yl)-2-[2-(trifluoromethyl)phenyl]-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-amine;N-(5-fluoro-1H-indazol-3-yl)-2-[2-(trifluoromethyl)phenyl]-6,7,8,9-tetrahydro-5H-pyrimido[4,5-d]azepin-4-amine

C91H73F15N26 — CID 158959683

About 8-N-(2-aminoethyl)-4-N-(1H-indazol-3-yl)-2-[2-(trifluoromethyl)phenyl]quinazoline-4,8-diamine;4-N-(7-fluoro-1H-indazol-3-yl)-6-N-[2-(methylamino)ethyl]-2-[2-(trifluoromethyl)phenyl]quinazoline-4,6-diamine;N-(5-fluoro-1H-indazol-3-yl)-2-[2-(trifluoromethyl)phenyl]-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-amine;N-(5-fluoro-1H-indazol-3-yl)-2-[2-(trifluoromethyl)phenyl]-6,7,8,9-tetrahydro-5H-pyrimido[4,5-d]azepin-4-amine

8-N-(2-aminoethyl)-4-N-(1H-indazol-3-yl)-2-[2-(trifluoromethyl)phenyl]quinazoline-4,8-diamine;4-N-(7-fluoro-1H-indazol-3-yl)-6-N-[2-(methylamino)ethyl]-2-[2-(trifluoromethyl)phenyl]quinazoline-4,6-diamine;N-(5-fluoro-1H-indazol-3-yl)-2-[2-(trifluoromethyl)phenyl]-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-amine;N-(5-fluoro-1H-indazol-3-yl)-2-[2-(trifluoromethyl)phenyl]-6,7,8,9-tetrahydro-5H-pyrimido[4,5-d]azepin-4-amine (PubChem CID 158959683) has the molecular formula C91H73F15N26 and a molecular weight of 1815.74 g/mol. Its IUPAC name is 8-N-(2-aminoethyl)-4-N-(1H-indazol-3-yl)-2-[2-(trifluoromethyl)phenyl]quinazoline-4,8-diamine;4-N-(7-fluoro-1H-indazol-3-yl)-6-N-[2-(methylamino)ethyl]-2-[2-(trifluoromethyl)phenyl]quinazoline-4,6-diamine;N-(5-fluoro-1H-indazol-3-yl)-2-[2-(trifluoromethyl)phenyl]-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-amine;N-(5-fluoro-1H-indazol-3-yl)-2-[2-(trifluoromethyl)phenyl]-6,7,8,9-tetrahydro-5H-pyrimido[4,5-d]azepin-4-amine.

Molecular Properties

• Compound Name: 8-N-(2-aminoethyl)-4-N-(1H-indazol-3-yl)-2-[2-(trifluoromethyl)phenyl]quinazoline-4,8-diamine;4-N-(7-fluoro-1H-indazol-3-yl)-6-N-[2-(methylamino)ethyl]-2-[2-(trifluoromethyl)phenyl]quinazoline-4,6-diamine;N-(5-fluoro-1H-indazol-3-yl)-2-[2-(trifluoromethyl)phenyl]-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-amine;N-(5-fluoro-1H-indazol-3-yl)-2-[2-(trifluoromethyl)phenyl]-6,7,8,9-tetrahydro-5H-pyrimido[4,5-d]azepin-4-amine
• PubChem CID: 158959683
• Molecular Formula: C91H73F15N26
• Molecular Weight: 1815.74 g/mol
• Exact Mass: 1814.63
• IUPAC Name: 8-N-(2-aminoethyl)-4-N-(1H-indazol-3-yl)-2-[2-(trifluoromethyl)phenyl]quinazoline-4,8-diamine;4-N-(7-fluoro-1H-indazol-3-yl)-6-N-[2-(methylamino)ethyl]-2-[2-(trifluoromethyl)phenyl]quinazoline-4,6-diamine;N-(5-fluoro-1H-indazol-3-yl)-2-[2-(trifluoromethyl)phenyl]-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-amine;N-(5-fluoro-1H-indazol-3-yl)-2-[2-(trifluoromethyl)phenyl]-6,7,8,9-tetrahydro-5H-pyrimido[4,5-d]azepin-4-amine
• SMILES: CNCCNc1ccc2nc(-c3ccccc3C(F)(F)F)nc(Nc3n[nH]c4c(F)cccc34)c2c1.Fc1ccc2[nH]nc(Nc3nc(-c4ccccc4C(F)(F)F)nc4c3CCNCC4)c2c1.Fc1ccc2[nH]nc(Nc3nc(-c4ccccc4C(F)(F)F)nc4c3CNC4)c2c1.NCCNc1cccc2c(Nc3n[nH]c4ccccc34)nc(-c3ccccc3C(F)(F)F)nc12
• InChI: InChI=1S/C25H21F4N7.C24H20F3N7.C22H18F4N6.C20H14F4N6/c1-30-11-12-31-14-9-10-20-17(13-14)23(34-24-16-6-4-8-19(26)21(16)35-36-24)33-22(32-20)15-5-2-3-7-18(15)25(27,28)29;25-24(26,27)17-9-3-1-6-14(17)21-30-20-16(8-5-11-19(20)29-13-12-28)22(31-21)32-23-15-7-2-4-10-18(15)33-34-23;23-12-5-6-18-15(11-12)21(32-31-18)30-20-14-7-9-27-10-8-17(14)28-19(29-20)13-3-1-2-4-16(13)22(24,25)26;21-10-5-6-15-12(7-10)19(30-29-15)28-18-13-8-25-9-16(13)26-17(27-18)11-3-1-2-4-14(11)20(22,23)24/h2-10,13,30-31H,11-12H2,1H3,(H2,32,33,34,35,36);1-11,29H,12-13,28H2,(H2,30,31,32,33,34);1-6,11,27H,7-10H2,(H2,28,29,30,31,32);1-7,25H,8-9H2,(H2,26,27,28,29,30)
• InChIKey: JMLNOEZNVOHMRX-UHFFFAOYSA-N
• XLogP: 20.15
• TPSA: 352.13 Ų
• H-Bond Donors: 14
• H-Bond Acceptors: 22
• Rotatable Bonds: 19
• Heavy Atoms: 132
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1815.74
LogP ≤ 5	20.15
H-Bond Donors ≤ 5	14
H-Bond Acceptors ≤ 10	22

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 8-N-(2-aminoethyl)-4-N-(1H-indazol-3-yl)-2-[2-(trifluoromethyl)phenyl]quinazoline-4,8-diamine;4-N-(7-fluoro-1H-indazol-3-yl)-6-N-[2-(methylamino)ethyl]-2-[2-(trifluoromethyl)phenyl]quinazoline-4,6-diamine;N-(5-fluoro-1H-indazol-3-yl)-2-[2-(trifluoromethyl)phenyl]-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-amine;N-(5-fluoro-1H-indazol-3-yl)-2-[2-(trifluoromethyl)phenyl]-6,7,8,9-tetrahydro-5H-pyrimido[4,5-d]azepin-4-amine?

The IUPAC name of 8-N-(2-aminoethyl)-4-N-(1H-indazol-3-yl)-2-[2-(trifluoromethyl)phenyl]quinazoline-4,8-diamine;4-N-(7-fluoro-1H-indazol-3-yl)-6-N-[2-(methylamino)ethyl]-2-[2-(trifluoromethyl)phenyl]quinazoline-4,6-diamine;N-(5-fluoro-1H-indazol-3-yl)-2-[2-(trifluoromethyl)phenyl]-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-amine;N-(5-fluoro-1H-indazol-3-yl)-2-[2-(trifluoromethyl)phenyl]-6,7,8,9-tetrahydro-5H-pyrimido[4,5-d]azepin-4-amine (CID 158959683) is 8-N-(2-aminoethyl)-4-N-(1H-indazol-3-yl)-2-[2-(trifluoromethyl)phenyl]quinazoline-4,8-diamine;4-N-(7-fluoro-1H-indazol-3-yl)-6-N-[2-(methylamino)ethyl]-2-[2-(trifluoromethyl)phenyl]quinazoline-4,6-diamine;N-(5-fluoro-1H-indazol-3-yl)-2-[2-(trifluoromethyl)phenyl]-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-amine;N-(5-fluoro-1H-indazol-3-yl)-2-[2-(trifluoromethyl)phenyl]-6,7,8,9-tetrahydro-5H-pyrimido[4,5-d]azepin-4-amine.

What is the SMILES notation for 8-N-(2-aminoethyl)-4-N-(1H-indazol-3-yl)-2-[2-(trifluoromethyl)phenyl]quinazoline-4,8-diamine;4-N-(7-fluoro-1H-indazol-3-yl)-6-N-[2-(methylamino)ethyl]-2-[2-(trifluoromethyl)phenyl]quinazoline-4,6-diamine;N-(5-fluoro-1H-indazol-3-yl)-2-[2-(trifluoromethyl)phenyl]-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-amine;N-(5-fluoro-1H-indazol-3-yl)-2-[2-(trifluoromethyl)phenyl]-6,7,8,9-tetrahydro-5H-pyrimido[4,5-d]azepin-4-amine?

The canonical SMILES for 8-N-(2-aminoethyl)-4-N-(1H-indazol-3-yl)-2-[2-(trifluoromethyl)phenyl]quinazoline-4,8-diamine;4-N-(7-fluoro-1H-indazol-3-yl)-6-N-[2-(methylamino)ethyl]-2-[2-(trifluoromethyl)phenyl]quinazoline-4,6-diamine;N-(5-fluoro-1H-indazol-3-yl)-2-[2-(trifluoromethyl)phenyl]-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-amine;N-(5-fluoro-1H-indazol-3-yl)-2-[2-(trifluoromethyl)phenyl]-6,7,8,9-tetrahydro-5H-pyrimido[4,5-d]azepin-4-amine is CNCCNc1ccc2nc(-c3ccccc3C(F)(F)F)nc(Nc3n[nH]c4c(F)cccc34)c2c1.Fc1ccc2[nH]nc(Nc3nc(-c4ccccc4C(F)(F)F)nc4c3CCNCC4)c2c1.Fc1ccc2[nH]nc(Nc3nc(-c4ccccc4C(F)(F)F)nc4c3CNC4)c2c1.NCCNc1cccc2c(Nc3n[nH]c4ccccc34)nc(-c3ccccc3C(F)(F)F)nc12.

What is the InChIKey of 8-N-(2-aminoethyl)-4-N-(1H-indazol-3-yl)-2-[2-(trifluoromethyl)phenyl]quinazoline-4,8-diamine;4-N-(7-fluoro-1H-indazol-3-yl)-6-N-[2-(methylamino)ethyl]-2-[2-(trifluoromethyl)phenyl]quinazoline-4,6-diamine;N-(5-fluoro-1H-indazol-3-yl)-2-[2-(trifluoromethyl)phenyl]-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-amine;N-(5-fluoro-1H-indazol-3-yl)-2-[2-(trifluoromethyl)phenyl]-6,7,8,9-tetrahydro-5H-pyrimido[4,5-d]azepin-4-amine?

The InChIKey is JMLNOEZNVOHMRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21F4N7.C24H20F3N7.C22H18F4N6.C20H14F4N6/c1-30-11-12-31-14-9-10-20-17(13-14)23(34-24-16-6-4-8-19(26)21(16)35-36-24)33-22(32-20)15-5-2-3-7-18(15)25(27,28)29;25-24(26,27)17-9-3-1-6-14(17)21-30-20-16(8-5-11-19(20)29-13-12-28)22(31-21)32-23-15-7-2-4-10-18(15)33-34-23;23-12-5-6-18-15(11-12)21(32-31-18)30-20-14-7-9-27-10-8-17(14)28-19(29-20)13-3-1-2-4-16(13)22(24,25)26;21-10-5-6-15-12(7-10)19(30-29-15)28-18-13-8-25-9-16(13)26-17(27-18)11-3-1-2-4-14(11)20(22,23)24/h2-10,13,30-31H,11-12H2,1H3,(H2,32,33,34,35,36);1-11,29H,12-13,28H2,(H2,30,31,32,33,34);1-6,11,27H,7-10H2,(H2,28,29,30,31,32);1-7,25H,8-9H2,(H2,26,27,28,29,30).

What are the key properties of 8-N-(2-aminoethyl)-4-N-(1H-indazol-3-yl)-2-[2-(trifluoromethyl)phenyl]quinazoline-4,8-diamine;4-N-(7-fluoro-1H-indazol-3-yl)-6-N-[2-(methylamino)ethyl]-2-[2-(trifluoromethyl)phenyl]quinazoline-4,6-diamine;N-(5-fluoro-1H-indazol-3-yl)-2-[2-(trifluoromethyl)phenyl]-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-amine;N-(5-fluoro-1H-indazol-3-yl)-2-[2-(trifluoromethyl)phenyl]-6,7,8,9-tetrahydro-5H-pyrimido[4,5-d]azepin-4-amine?

8-N-(2-aminoethyl)-4-N-(1H-indazol-3-yl)-2-[2-(trifluoromethyl)phenyl]quinazoline-4,8-diamine;4-N-(7-fluoro-1H-indazol-3-yl)-6-N-[2-(methylamino)ethyl]-2-[2-(trifluoromethyl)phenyl]quinazoline-4,6-diamine;N-(5-fluoro-1H-indazol-3-yl)-2-[2-(trifluoromethyl)phenyl]-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-amine;N-(5-fluoro-1H-indazol-3-yl)-2-[2-(trifluoromethyl)phenyl]-6,7,8,9-tetrahydro-5H-pyrimido[4,5-d]azepin-4-amine has a molecular weight of 1815.74 g/mol, XLogP of 20.15, 19 rotatable bonds, 14 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for 8-N-(2-aminoethyl)-4-N-(1H-indazol-3-yl)-2-[2-(trifluoromethyl)phenyl]quinazoline-4,8-diamine;4-N-(7-fluoro-1H-indazol-3-yl)-6-N-[2-(methylamino)ethyl]-2-[2-(trifluoromethyl)phenyl]quinazoline-4,6-diamine;N-(5-fluoro-1H-indazol-3-yl)-2-[2-(trifluoromethyl)phenyl]-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-amine;N-(5-fluoro-1H-indazol-3-yl)-2-[2-(trifluoromethyl)phenyl]-6,7,8,9-tetrahydro-5H-pyrimido[4,5-d]azepin-4-amine is sourced from PubChem (CID 158959683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).