2-(2-chlorophenyl)-N-(7-fluoro-1H-indazol-3-yl)quinazolin-4-amine;N-(5,7-difluoro-1H-indazol-3-yl)-2-[2-(trifluoromethyl)phenyl]quinazolin-4-amine;N-(4-pyrrol-1-yl-1H-indazol-3-yl)-2-[2-(trifluoromethyl)phenyl]quinazolin-4-amine;3-N-[2-[2-(trifluoromethyl)phenyl]quinazolin-4-yl]-1H-indazole-3,5-diamine

C91H57ClF12N22 — CID 158821052

About 2-(2-chlorophenyl)-N-(7-fluoro-1H-indazol-3-yl)quinazolin-4-amine;N-(5,7-difluoro-1H-indazol-3-yl)-2-[2-(trifluoromethyl)phenyl]quinazolin-4-amine;N-(4-pyrrol-1-yl-1H-indazol-3-yl)-2-[2-(trifluoromethyl)phenyl]quinazolin-4-amine;3-N-[2-[2-(trifluoromethyl)phenyl]quinazolin-4-yl]-1H-indazole-3,5-diamine

2-(2-chlorophenyl)-N-(7-fluoro-1H-indazol-3-yl)quinazolin-4-amine;N-(5,7-difluoro-1H-indazol-3-yl)-2-[2-(trifluoromethyl)phenyl]quinazolin-4-amine;N-(4-pyrrol-1-yl-1H-indazol-3-yl)-2-[2-(trifluoromethyl)phenyl]quinazolin-4-amine;3-N-[2-[2-(trifluoromethyl)phenyl]quinazolin-4-yl]-1H-indazole-3,5-diamine (PubChem CID 158821052) has the molecular formula C91H57ClF12N22 and a molecular weight of 1722.04 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-N-(7-fluoro-1H-indazol-3-yl)quinazolin-4-amine;N-(5,7-difluoro-1H-indazol-3-yl)-2-[2-(trifluoromethyl)phenyl]quinazolin-4-amine;N-(4-pyrrol-1-yl-1H-indazol-3-yl)-2-[2-(trifluoromethyl)phenyl]quinazolin-4-amine;3-N-[2-[2-(trifluoromethyl)phenyl]quinazolin-4-yl]-1H-indazole-3,5-diamine.

Molecular Properties

• Compound Name: 2-(2-chlorophenyl)-N-(7-fluoro-1H-indazol-3-yl)quinazolin-4-amine;N-(5,7-difluoro-1H-indazol-3-yl)-2-[2-(trifluoromethyl)phenyl]quinazolin-4-amine;N-(4-pyrrol-1-yl-1H-indazol-3-yl)-2-[2-(trifluoromethyl)phenyl]quinazolin-4-amine;3-N-[2-[2-(trifluoromethyl)phenyl]quinazolin-4-yl]-1H-indazole-3,5-diamine
• PubChem CID: 158821052
• Molecular Formula: C91H57ClF12N22
• Molecular Weight: 1722.04 g/mol
• Exact Mass: 1720.46
• IUPAC Name: 2-(2-chlorophenyl)-N-(7-fluoro-1H-indazol-3-yl)quinazolin-4-amine;N-(5,7-difluoro-1H-indazol-3-yl)-2-[2-(trifluoromethyl)phenyl]quinazolin-4-amine;N-(4-pyrrol-1-yl-1H-indazol-3-yl)-2-[2-(trifluoromethyl)phenyl]quinazolin-4-amine;3-N-[2-[2-(trifluoromethyl)phenyl]quinazolin-4-yl]-1H-indazole-3,5-diamine
• SMILES: FC(F)(F)c1ccccc1-c1nc(Nc2n[nH]c3cccc(-n4cccc4)c23)c2ccccc2n1.Fc1cc(F)c2[nH]nc(Nc3nc(-c4ccccc4C(F)(F)F)nc4ccccc34)c2c1.Fc1cccc2c(Nc3nc(-c4ccccc4Cl)nc4ccccc34)n[nH]c12.Nc1ccc2[nH]nc(Nc3nc(-c4ccccc4C(F)(F)F)nc4ccccc34)c2c1
• InChI: InChI=1S/C26H17F3N6.C22H12F5N5.C22H15F3N6.C21H13ClFN5/c27-26(28,29)18-10-3-1-8-16(18)23-30-19-11-4-2-9-17(19)24(31-23)32-25-22-20(33-34-25)12-7-13-21(22)35-14-5-6-15-35;23-11-9-14-18(16(24)10-11)31-32-21(14)30-20-13-6-2-4-8-17(13)28-19(29-20)12-5-1-3-7-15(12)22(25,26)27;23-22(24,25)16-7-3-1-5-13(16)19-27-17-8-4-2-6-14(17)20(28-19)29-21-15-11-12(26)9-10-18(15)30-31-21;22-15-9-3-1-6-12(15)19-24-17-11-4-2-7-13(17)20(25-19)26-21-14-8-5-10-16(23)18(14)27-28-21/h1-15H,(H2,30,31,32,33,34);1-10H,(H2,28,29,30,31,32);1-11H,26H2,(H2,27,28,29,30,31);1-11H,(H2,24,25,26,27,28)
• InChIKey: IVWMDCDGHYZLFX-UHFFFAOYSA-N
• XLogP: 24.17
• TPSA: 296.91 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 18
• Rotatable Bonds: 13
• Heavy Atoms: 126
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1722.04
LogP ≤ 5	24.17
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	18

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-N-(7-fluoro-1H-indazol-3-yl)quinazolin-4-amine;N-(5,7-difluoro-1H-indazol-3-yl)-2-[2-(trifluoromethyl)phenyl]quinazolin-4-amine;N-(4-pyrrol-1-yl-1H-indazol-3-yl)-2-[2-(trifluoromethyl)phenyl]quinazolin-4-amine;3-N-[2-[2-(trifluoromethyl)phenyl]quinazolin-4-yl]-1H-indazole-3,5-diamine?

The IUPAC name of 2-(2-chlorophenyl)-N-(7-fluoro-1H-indazol-3-yl)quinazolin-4-amine;N-(5,7-difluoro-1H-indazol-3-yl)-2-[2-(trifluoromethyl)phenyl]quinazolin-4-amine;N-(4-pyrrol-1-yl-1H-indazol-3-yl)-2-[2-(trifluoromethyl)phenyl]quinazolin-4-amine;3-N-[2-[2-(trifluoromethyl)phenyl]quinazolin-4-yl]-1H-indazole-3,5-diamine (CID 158821052) is 2-(2-chlorophenyl)-N-(7-fluoro-1H-indazol-3-yl)quinazolin-4-amine;N-(5,7-difluoro-1H-indazol-3-yl)-2-[2-(trifluoromethyl)phenyl]quinazolin-4-amine;N-(4-pyrrol-1-yl-1H-indazol-3-yl)-2-[2-(trifluoromethyl)phenyl]quinazolin-4-amine;3-N-[2-[2-(trifluoromethyl)phenyl]quinazolin-4-yl]-1H-indazole-3,5-diamine.

What is the SMILES notation for 2-(2-chlorophenyl)-N-(7-fluoro-1H-indazol-3-yl)quinazolin-4-amine;N-(5,7-difluoro-1H-indazol-3-yl)-2-[2-(trifluoromethyl)phenyl]quinazolin-4-amine;N-(4-pyrrol-1-yl-1H-indazol-3-yl)-2-[2-(trifluoromethyl)phenyl]quinazolin-4-amine;3-N-[2-[2-(trifluoromethyl)phenyl]quinazolin-4-yl]-1H-indazole-3,5-diamine?

The canonical SMILES for 2-(2-chlorophenyl)-N-(7-fluoro-1H-indazol-3-yl)quinazolin-4-amine;N-(5,7-difluoro-1H-indazol-3-yl)-2-[2-(trifluoromethyl)phenyl]quinazolin-4-amine;N-(4-pyrrol-1-yl-1H-indazol-3-yl)-2-[2-(trifluoromethyl)phenyl]quinazolin-4-amine;3-N-[2-[2-(trifluoromethyl)phenyl]quinazolin-4-yl]-1H-indazole-3,5-diamine is FC(F)(F)c1ccccc1-c1nc(Nc2n[nH]c3cccc(-n4cccc4)c23)c2ccccc2n1.Fc1cc(F)c2[nH]nc(Nc3nc(-c4ccccc4C(F)(F)F)nc4ccccc34)c2c1.Fc1cccc2c(Nc3nc(-c4ccccc4Cl)nc4ccccc34)n[nH]c12.Nc1ccc2[nH]nc(Nc3nc(-c4ccccc4C(F)(F)F)nc4ccccc34)c2c1.

What is the InChIKey of 2-(2-chlorophenyl)-N-(7-fluoro-1H-indazol-3-yl)quinazolin-4-amine;N-(5,7-difluoro-1H-indazol-3-yl)-2-[2-(trifluoromethyl)phenyl]quinazolin-4-amine;N-(4-pyrrol-1-yl-1H-indazol-3-yl)-2-[2-(trifluoromethyl)phenyl]quinazolin-4-amine;3-N-[2-[2-(trifluoromethyl)phenyl]quinazolin-4-yl]-1H-indazole-3,5-diamine?

The InChIKey is IVWMDCDGHYZLFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H17F3N6.C22H12F5N5.C22H15F3N6.C21H13ClFN5/c27-26(28,29)18-10-3-1-8-16(18)23-30-19-11-4-2-9-17(19)24(31-23)32-25-22-20(33-34-25)12-7-13-21(22)35-14-5-6-15-35;23-11-9-14-18(16(24)10-11)31-32-21(14)30-20-13-6-2-4-8-17(13)28-19(29-20)12-5-1-3-7-15(12)22(25,26)27;23-22(24,25)16-7-3-1-5-13(16)19-27-17-8-4-2-6-14(17)20(28-19)29-21-15-11-12(26)9-10-18(15)30-31-21;22-15-9-3-1-6-12(15)19-24-17-11-4-2-7-13(17)20(25-19)26-21-14-8-5-10-16(23)18(14)27-28-21/h1-15H,(H2,30,31,32,33,34);1-10H,(H2,28,29,30,31,32);1-11H,26H2,(H2,27,28,29,30,31);1-11H,(H2,24,25,26,27,28).

What are the key properties of 2-(2-chlorophenyl)-N-(7-fluoro-1H-indazol-3-yl)quinazolin-4-amine;N-(5,7-difluoro-1H-indazol-3-yl)-2-[2-(trifluoromethyl)phenyl]quinazolin-4-amine;N-(4-pyrrol-1-yl-1H-indazol-3-yl)-2-[2-(trifluoromethyl)phenyl]quinazolin-4-amine;3-N-[2-[2-(trifluoromethyl)phenyl]quinazolin-4-yl]-1H-indazole-3,5-diamine?

2-(2-chlorophenyl)-N-(7-fluoro-1H-indazol-3-yl)quinazolin-4-amine;N-(5,7-difluoro-1H-indazol-3-yl)-2-[2-(trifluoromethyl)phenyl]quinazolin-4-amine;N-(4-pyrrol-1-yl-1H-indazol-3-yl)-2-[2-(trifluoromethyl)phenyl]quinazolin-4-amine;3-N-[2-[2-(trifluoromethyl)phenyl]quinazolin-4-yl]-1H-indazole-3,5-diamine has a molecular weight of 1722.04 g/mol, XLogP of 24.17, 13 rotatable bonds, 9 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(2-chlorophenyl)-N-(7-fluoro-1H-indazol-3-yl)quinazolin-4-amine;N-(5,7-difluoro-1H-indazol-3-yl)-2-[2-(trifluoromethyl)phenyl]quinazolin-4-amine;N-(4-pyrrol-1-yl-1H-indazol-3-yl)-2-[2-(trifluoromethyl)phenyl]quinazolin-4-amine;3-N-[2-[2-(trifluoromethyl)phenyl]quinazolin-4-yl]-1H-indazole-3,5-diamine is sourced from PubChem (CID 158821052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).