6-chloro-7-[5-[[1-(4-methoxyphenyl)-5-(trifluoromethyl)pyrazol-4-yl]methoxy]-1H-indazol-4-yl]-4-piperazin-1-ylquinazoline;N-[4-(6-chloro-4-piperazin-1-ylquinazolin-7-yl)-1H-indazol-5-yl]-1-(4-methoxyphenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide;4-(6-chloro-4-piperazin-1-ylquinazolin-7-yl)-N-[3-[1-(4-methoxyphenyl)-5-(trifluoromethyl)pyrazol-4-yl]propyl]-1H-indazol-5-amine

C95H82Cl3F9N26O5 — CID 159585660

About 6-chloro-7-[5-[[1-(4-methoxyphenyl)-5-(trifluoromethyl)pyrazol-4-yl]methoxy]-1H-indazol-4-yl]-4-piperazin-1-ylquinazoline;N-[4-(6-chloro-4-piperazin-1-ylquinazolin-7-yl)-1H-indazol-5-yl]-1-(4-methoxyphenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide;4-(6-chloro-4-piperazin-1-ylquinazolin-7-yl)-N-[3-[1-(4-methoxyphenyl)-5-(trifluoromethyl)pyrazol-4-yl]propyl]-1H-indazol-5-amine

6-chloro-7-[5-[[1-(4-methoxyphenyl)-5-(trifluoromethyl)pyrazol-4-yl]methoxy]-1H-indazol-4-yl]-4-piperazin-1-ylquinazoline;N-[4-(6-chloro-4-piperazin-1-ylquinazolin-7-yl)-1H-indazol-5-yl]-1-(4-methoxyphenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide;4-(6-chloro-4-piperazin-1-ylquinazolin-7-yl)-N-[3-[1-(4-methoxyphenyl)-5-(trifluoromethyl)pyrazol-4-yl]propyl]-1H-indazol-5-amine (PubChem CID 159585660) has the molecular formula C95H82Cl3F9N26O5 and a molecular weight of 1945.22 g/mol. Its IUPAC name is 6-chloro-7-[5-[[1-(4-methoxyphenyl)-5-(trifluoromethyl)pyrazol-4-yl]methoxy]-1H-indazol-4-yl]-4-piperazin-1-ylquinazoline;N-[4-(6-chloro-4-piperazin-1-ylquinazolin-7-yl)-1H-indazol-5-yl]-1-(4-methoxyphenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide;4-(6-chloro-4-piperazin-1-ylquinazolin-7-yl)-N-[3-[1-(4-methoxyphenyl)-5-(trifluoromethyl)pyrazol-4-yl]propyl]-1H-indazol-5-amine.

Molecular Properties

• Compound Name: 6-chloro-7-[5-[[1-(4-methoxyphenyl)-5-(trifluoromethyl)pyrazol-4-yl]methoxy]-1H-indazol-4-yl]-4-piperazin-1-ylquinazoline;N-[4-(6-chloro-4-piperazin-1-ylquinazolin-7-yl)-1H-indazol-5-yl]-1-(4-methoxyphenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide;4-(6-chloro-4-piperazin-1-ylquinazolin-7-yl)-N-[3-[1-(4-methoxyphenyl)-5-(trifluoromethyl)pyrazol-4-yl]propyl]-1H-indazol-5-amine
• PubChem CID: 159585660
• Molecular Formula: C95H82Cl3F9N26O5
• Molecular Weight: 1945.22 g/mol
• Exact Mass: 1942.59
• IUPAC Name: 6-chloro-7-[5-[[1-(4-methoxyphenyl)-5-(trifluoromethyl)pyrazol-4-yl]methoxy]-1H-indazol-4-yl]-4-piperazin-1-ylquinazoline;N-[4-(6-chloro-4-piperazin-1-ylquinazolin-7-yl)-1H-indazol-5-yl]-1-(4-methoxyphenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide;4-(6-chloro-4-piperazin-1-ylquinazolin-7-yl)-N-[3-[1-(4-methoxyphenyl)-5-(trifluoromethyl)pyrazol-4-yl]propyl]-1H-indazol-5-amine
• SMILES: COc1ccc(-n2ncc(C(=O)Nc3ccc4[nH]ncc4c3-c3cc4ncnc(N5CCNCC5)c4cc3Cl)c2C(F)(F)F)cc1.COc1ccc(-n2ncc(CCCNc3ccc4[nH]ncc4c3-c3cc4ncnc(N5CCNCC5)c4cc3Cl)c2C(F)(F)F)cc1.COc1ccc(-n2ncc(COc3ccc4[nH]ncc4c3-c3cc4ncnc(N5CCNCC5)c4cc3Cl)c2C(F)(F)F)cc1
• InChI: InChI=1S/C33H31ClF3N9O.C31H25ClF3N9O2.C31H26ClF3N8O2/c1-47-22-6-4-21(5-7-22)46-31(33(35,36)37)20(17-43-46)3-2-10-39-28-9-8-27-25(18-42-44-27)30(28)23-16-29-24(15-26(23)34)32(41-19-40-29)45-13-11-38-12-14-45;1-46-18-4-2-17(3-5-18)44-28(31(33,34)35)22(15-40-44)30(45)41-25-7-6-24-21(14-39-42-24)27(25)19-13-26-20(12-23(19)32)29(38-16-37-26)43-10-8-36-9-11-43;1-44-20-4-2-19(3-5-20)43-29(31(33,34)35)18(14-40-43)16-45-27-7-6-25-23(15-39-41-25)28(27)21-13-26-22(12-24(21)32)30(38-17-37-26)42-10-8-36-9-11-42/h4-9,15-19,38-39H,2-3,10-14H2,1H3,(H,42,44);2-7,12-16,36H,8-11H2,1H3,(H,39,42)(H,41,45);2-7,12-15,17,36H,8-11,16H2,1H3,(H,39,41)
• InChIKey: MJORLPJEAOSZPG-UHFFFAOYSA-N
• XLogP: 18.22
• TPSA: 340.70 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 27
• Rotatable Bonds: 22
• Heavy Atoms: 138
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1945.22
LogP ≤ 5	18.22
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	27

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 6-chloro-7-[5-[[1-(4-methoxyphenyl)-5-(trifluoromethyl)pyrazol-4-yl]methoxy]-1H-indazol-4-yl]-4-piperazin-1-ylquinazoline;N-[4-(6-chloro-4-piperazin-1-ylquinazolin-7-yl)-1H-indazol-5-yl]-1-(4-methoxyphenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide;4-(6-chloro-4-piperazin-1-ylquinazolin-7-yl)-N-[3-[1-(4-methoxyphenyl)-5-(trifluoromethyl)pyrazol-4-yl]propyl]-1H-indazol-5-amine?

The IUPAC name of 6-chloro-7-[5-[[1-(4-methoxyphenyl)-5-(trifluoromethyl)pyrazol-4-yl]methoxy]-1H-indazol-4-yl]-4-piperazin-1-ylquinazoline;N-[4-(6-chloro-4-piperazin-1-ylquinazolin-7-yl)-1H-indazol-5-yl]-1-(4-methoxyphenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide;4-(6-chloro-4-piperazin-1-ylquinazolin-7-yl)-N-[3-[1-(4-methoxyphenyl)-5-(trifluoromethyl)pyrazol-4-yl]propyl]-1H-indazol-5-amine (CID 159585660) is 6-chloro-7-[5-[[1-(4-methoxyphenyl)-5-(trifluoromethyl)pyrazol-4-yl]methoxy]-1H-indazol-4-yl]-4-piperazin-1-ylquinazoline;N-[4-(6-chloro-4-piperazin-1-ylquinazolin-7-yl)-1H-indazol-5-yl]-1-(4-methoxyphenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide;4-(6-chloro-4-piperazin-1-ylquinazolin-7-yl)-N-[3-[1-(4-methoxyphenyl)-5-(trifluoromethyl)pyrazol-4-yl]propyl]-1H-indazol-5-amine.

What is the SMILES notation for 6-chloro-7-[5-[[1-(4-methoxyphenyl)-5-(trifluoromethyl)pyrazol-4-yl]methoxy]-1H-indazol-4-yl]-4-piperazin-1-ylquinazoline;N-[4-(6-chloro-4-piperazin-1-ylquinazolin-7-yl)-1H-indazol-5-yl]-1-(4-methoxyphenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide;4-(6-chloro-4-piperazin-1-ylquinazolin-7-yl)-N-[3-[1-(4-methoxyphenyl)-5-(trifluoromethyl)pyrazol-4-yl]propyl]-1H-indazol-5-amine?

The canonical SMILES for 6-chloro-7-[5-[[1-(4-methoxyphenyl)-5-(trifluoromethyl)pyrazol-4-yl]methoxy]-1H-indazol-4-yl]-4-piperazin-1-ylquinazoline;N-[4-(6-chloro-4-piperazin-1-ylquinazolin-7-yl)-1H-indazol-5-yl]-1-(4-methoxyphenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide;4-(6-chloro-4-piperazin-1-ylquinazolin-7-yl)-N-[3-[1-(4-methoxyphenyl)-5-(trifluoromethyl)pyrazol-4-yl]propyl]-1H-indazol-5-amine is COc1ccc(-n2ncc(C(=O)Nc3ccc4[nH]ncc4c3-c3cc4ncnc(N5CCNCC5)c4cc3Cl)c2C(F)(F)F)cc1.COc1ccc(-n2ncc(CCCNc3ccc4[nH]ncc4c3-c3cc4ncnc(N5CCNCC5)c4cc3Cl)c2C(F)(F)F)cc1.COc1ccc(-n2ncc(COc3ccc4[nH]ncc4c3-c3cc4ncnc(N5CCNCC5)c4cc3Cl)c2C(F)(F)F)cc1.

What is the InChIKey of 6-chloro-7-[5-[[1-(4-methoxyphenyl)-5-(trifluoromethyl)pyrazol-4-yl]methoxy]-1H-indazol-4-yl]-4-piperazin-1-ylquinazoline;N-[4-(6-chloro-4-piperazin-1-ylquinazolin-7-yl)-1H-indazol-5-yl]-1-(4-methoxyphenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide;4-(6-chloro-4-piperazin-1-ylquinazolin-7-yl)-N-[3-[1-(4-methoxyphenyl)-5-(trifluoromethyl)pyrazol-4-yl]propyl]-1H-indazol-5-amine?

The InChIKey is MJORLPJEAOSZPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H31ClF3N9O.C31H25ClF3N9O2.C31H26ClF3N8O2/c1-47-22-6-4-21(5-7-22)46-31(33(35,36)37)20(17-43-46)3-2-10-39-28-9-8-27-25(18-42-44-27)30(28)23-16-29-24(15-26(23)34)32(41-19-40-29)45-13-11-38-12-14-45;1-46-18-4-2-17(3-5-18)44-28(31(33,34)35)22(15-40-44)30(45)41-25-7-6-24-21(14-39-42-24)27(25)19-13-26-20(12-23(19)32)29(38-16-37-26)43-10-8-36-9-11-43;1-44-20-4-2-19(3-5-20)43-29(31(33,34)35)18(14-40-43)16-45-27-7-6-25-23(15-39-41-25)28(27)21-13-26-22(12-24(21)32)30(38-17-37-26)42-10-8-36-9-11-42/h4-9,15-19,38-39H,2-3,10-14H2,1H3,(H,42,44);2-7,12-16,36H,8-11H2,1H3,(H,39,42)(H,41,45);2-7,12-15,17,36H,8-11,16H2,1H3,(H,39,41).

What are the key properties of 6-chloro-7-[5-[[1-(4-methoxyphenyl)-5-(trifluoromethyl)pyrazol-4-yl]methoxy]-1H-indazol-4-yl]-4-piperazin-1-ylquinazoline;N-[4-(6-chloro-4-piperazin-1-ylquinazolin-7-yl)-1H-indazol-5-yl]-1-(4-methoxyphenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide;4-(6-chloro-4-piperazin-1-ylquinazolin-7-yl)-N-[3-[1-(4-methoxyphenyl)-5-(trifluoromethyl)pyrazol-4-yl]propyl]-1H-indazol-5-amine?

6-chloro-7-[5-[[1-(4-methoxyphenyl)-5-(trifluoromethyl)pyrazol-4-yl]methoxy]-1H-indazol-4-yl]-4-piperazin-1-ylquinazoline;N-[4-(6-chloro-4-piperazin-1-ylquinazolin-7-yl)-1H-indazol-5-yl]-1-(4-methoxyphenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide;4-(6-chloro-4-piperazin-1-ylquinazolin-7-yl)-N-[3-[1-(4-methoxyphenyl)-5-(trifluoromethyl)pyrazol-4-yl]propyl]-1H-indazol-5-amine has a molecular weight of 1945.22 g/mol, XLogP of 18.22, 22 rotatable bonds, 8 hydrogen bond donors, and 27 hydrogen bond acceptors.

Where does this data come from?

All data for 6-chloro-7-[5-[[1-(4-methoxyphenyl)-5-(trifluoromethyl)pyrazol-4-yl]methoxy]-1H-indazol-4-yl]-4-piperazin-1-ylquinazoline;N-[4-(6-chloro-4-piperazin-1-ylquinazolin-7-yl)-1H-indazol-5-yl]-1-(4-methoxyphenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide;4-(6-chloro-4-piperazin-1-ylquinazolin-7-yl)-N-[3-[1-(4-methoxyphenyl)-5-(trifluoromethyl)pyrazol-4-yl]propyl]-1H-indazol-5-amine is sourced from PubChem (CID 159585660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).