4-[3-[4-(3-aminopropylcarbamoyl)phenyl]indazol-1-yl]benzoic acid;4-[3-(4-carbamoylphenyl)-5-nitroindazol-1-yl]benzoic acid;4-[1-(4-carboxyphenyl)-5-nitroindazol-3-yl]benzoic acid;4-[3-(4-methoxycarbonylphenyl)-5-nitroindazol-1-yl]benzoic acid;bis(4-[3-[4-[3-(methylamino)propylcarbamoyl]phenyl]indazol-1-yl]benzoic acid);prop-2-enyl 4-[1-[4-(2,5-dioxopyrrolidin-1-yl)oxycarbonylphenyl]indazol-3-yl]benzoate

C166H133N25O32 — CID 160511051

About 4-[3-[4-(3-aminopropylcarbamoyl)phenyl]indazol-1-yl]benzoic acid;4-[3-(4-carbamoylphenyl)-5-nitroindazol-1-yl]benzoic acid;4-[1-(4-carboxyphenyl)-5-nitroindazol-3-yl]benzoic acid;4-[3-(4-methoxycarbonylphenyl)-5-nitroindazol-1-yl]benzoic acid;bis(4-[3-[4-[3-(methylamino)propylcarbamoyl]phenyl]indazol-1-yl]benzoic acid);prop-2-enyl 4-[1-[4-(2,5-dioxopyrrolidin-1-yl)oxycarbonylphenyl]indazol-3-yl]benzoate

4-[3-[4-(3-aminopropylcarbamoyl)phenyl]indazol-1-yl]benzoic acid;4-[3-(4-carbamoylphenyl)-5-nitroindazol-1-yl]benzoic acid;4-[1-(4-carboxyphenyl)-5-nitroindazol-3-yl]benzoic acid;4-[3-(4-methoxycarbonylphenyl)-5-nitroindazol-1-yl]benzoic acid;bis(4-[3-[4-[3-(methylamino)propylcarbamoyl]phenyl]indazol-1-yl]benzoic acid);prop-2-enyl 4-[1-[4-(2,5-dioxopyrrolidin-1-yl)oxycarbonylphenyl]indazol-3-yl]benzoate (PubChem CID 160511051) has the molecular formula C166H133N25O32 and a molecular weight of 2990.03 g/mol. Its IUPAC name is 4-[3-[4-(3-aminopropylcarbamoyl)phenyl]indazol-1-yl]benzoic acid;4-[3-(4-carbamoylphenyl)-5-nitroindazol-1-yl]benzoic acid;4-[1-(4-carboxyphenyl)-5-nitroindazol-3-yl]benzoic acid;4-[3-(4-methoxycarbonylphenyl)-5-nitroindazol-1-yl]benzoic acid;bis(4-[3-[4-[3-(methylamino)propylcarbamoyl]phenyl]indazol-1-yl]benzoic acid);prop-2-enyl 4-[1-[4-(2,5-dioxopyrrolidin-1-yl)oxycarbonylphenyl]indazol-3-yl]benzoate.

Molecular Properties

• Compound Name: 4-[3-[4-(3-aminopropylcarbamoyl)phenyl]indazol-1-yl]benzoic acid;4-[3-(4-carbamoylphenyl)-5-nitroindazol-1-yl]benzoic acid;4-[1-(4-carboxyphenyl)-5-nitroindazol-3-yl]benzoic acid;4-[3-(4-methoxycarbonylphenyl)-5-nitroindazol-1-yl]benzoic acid;bis(4-[3-[4-[3-(methylamino)propylcarbamoyl]phenyl]indazol-1-yl]benzoic acid);prop-2-enyl 4-[1-[4-(2,5-dioxopyrrolidin-1-yl)oxycarbonylphenyl]indazol-3-yl]benzoate
• PubChem CID: 160511051
• Molecular Formula: C166H133N25O32
• Molecular Weight: 2990.03 g/mol
• Exact Mass: 2987.95
• IUPAC Name: 4-[3-[4-(3-aminopropylcarbamoyl)phenyl]indazol-1-yl]benzoic acid;4-[3-(4-carbamoylphenyl)-5-nitroindazol-1-yl]benzoic acid;4-[1-(4-carboxyphenyl)-5-nitroindazol-3-yl]benzoic acid;4-[3-(4-methoxycarbonylphenyl)-5-nitroindazol-1-yl]benzoic acid;bis(4-[3-[4-[3-(methylamino)propylcarbamoyl]phenyl]indazol-1-yl]benzoic acid);prop-2-enyl 4-[1-[4-(2,5-dioxopyrrolidin-1-yl)oxycarbonylphenyl]indazol-3-yl]benzoate
• SMILES: C=CCOC(=O)c1ccc(-c2nn(-c3ccc(C(=O)ON4C(=O)CCC4=O)cc3)c3ccccc23)cc1.CNCCCNC(=O)c1ccc(-c2nn(-c3ccc(C(=O)O)cc3)c3ccccc23)cc1.CNCCCNC(=O)c1ccc(-c2nn(-c3ccc(C(=O)O)cc3)c3ccccc23)cc1.COC(=O)c1ccc(-c2nn(-c3ccc(C(=O)O)cc3)c3ccc([N+](=O)[O-])cc23)cc1.NC(=O)c1ccc(-c2nn(-c3ccc(C(=O)O)cc3)c3ccc([N+](=O)[O-])cc23)cc1.NCCCNC(=O)c1ccc(-c2nn(-c3ccc(C(=O)O)cc3)c3ccccc23)cc1.O=C(O)c1ccc(-c2nn(-c3ccc(C(=O)O)cc3)c3ccc([N+](=O)[O-])cc23)cc1
• InChI: InChI=1S/C28H21N3O6.2C25H24N4O3.C24H22N4O3.C22H15N3O6.C21H14N4O5.C21H13N3O6/c1-2-17-36-27(34)19-9-7-18(8-10-19)26-22-5-3-4-6-23(22)30(29-26)21-13-11-20(12-14-21)28(35)37-31-24(32)15-16-25(31)33;2*1-26-15-4-16-27-24(30)18-9-7-17(8-10-18)23-21-5-2-3-6-22(21)29(28-23)20-13-11-19(12-14-20)25(31)32;25-14-3-15-26-23(29)17-8-6-16(7-9-17)22-20-4-1-2-5-21(20)28(27-22)19-12-10-18(11-13-19)24(30)31;1-31-22(28)15-4-2-13(3-5-15)20-18-12-17(25(29)30)10-11-19(18)24(23-20)16-8-6-14(7-9-16)21(26)27;22-20(26)13-3-1-12(2-4-13)19-17-11-16(25(29)30)9-10-18(17)24(23-19)15-7-5-14(6-8-15)21(27)28;25-20(26)13-3-1-12(2-4-13)19-17-11-16(24(29)30)9-10-18(17)23(22-19)15-7-5-14(6-8-15)21(27)28/h2-14H,1,15-17H2;2*2-3,5-14,26H,4,15-16H2,1H3,(H,27,30)(H,31,32);1-2,4-13H,3,14-15,25H2,(H,26,29)(H,30,31);2-12H,1H3,(H,26,27);1-11H,(H2,22,26)(H,27,28);1-11H,(H,25,26)(H,27,28)
• InChIKey: QTAWSKZSCHAUHA-UHFFFAOYSA-N
• XLogP: 26.67
• TPSA: 812.01 Ų
• H-Bond Donors: 14
• H-Bond Acceptors: 42
• Rotatable Bonds: 45
• Heavy Atoms: 223
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2990.03
LogP ≤ 5	26.67
H-Bond Donors ≤ 5	14
H-Bond Acceptors ≤ 10	42

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-[3-[4-(3-aminopropylcarbamoyl)phenyl]indazol-1-yl]benzoic acid;4-[3-(4-carbamoylphenyl)-5-nitroindazol-1-yl]benzoic acid;4-[1-(4-carboxyphenyl)-5-nitroindazol-3-yl]benzoic acid;4-[3-(4-methoxycarbonylphenyl)-5-nitroindazol-1-yl]benzoic acid;bis(4-[3-[4-[3-(methylamino)propylcarbamoyl]phenyl]indazol-1-yl]benzoic acid);prop-2-enyl 4-[1-[4-(2,5-dioxopyrrolidin-1-yl)oxycarbonylphenyl]indazol-3-yl]benzoate?

The IUPAC name of 4-[3-[4-(3-aminopropylcarbamoyl)phenyl]indazol-1-yl]benzoic acid;4-[3-(4-carbamoylphenyl)-5-nitroindazol-1-yl]benzoic acid;4-[1-(4-carboxyphenyl)-5-nitroindazol-3-yl]benzoic acid;4-[3-(4-methoxycarbonylphenyl)-5-nitroindazol-1-yl]benzoic acid;bis(4-[3-[4-[3-(methylamino)propylcarbamoyl]phenyl]indazol-1-yl]benzoic acid);prop-2-enyl 4-[1-[4-(2,5-dioxopyrrolidin-1-yl)oxycarbonylphenyl]indazol-3-yl]benzoate (CID 160511051) is 4-[3-[4-(3-aminopropylcarbamoyl)phenyl]indazol-1-yl]benzoic acid;4-[3-(4-carbamoylphenyl)-5-nitroindazol-1-yl]benzoic acid;4-[1-(4-carboxyphenyl)-5-nitroindazol-3-yl]benzoic acid;4-[3-(4-methoxycarbonylphenyl)-5-nitroindazol-1-yl]benzoic acid;bis(4-[3-[4-[3-(methylamino)propylcarbamoyl]phenyl]indazol-1-yl]benzoic acid);prop-2-enyl 4-[1-[4-(2,5-dioxopyrrolidin-1-yl)oxycarbonylphenyl]indazol-3-yl]benzoate.

What is the SMILES notation for 4-[3-[4-(3-aminopropylcarbamoyl)phenyl]indazol-1-yl]benzoic acid;4-[3-(4-carbamoylphenyl)-5-nitroindazol-1-yl]benzoic acid;4-[1-(4-carboxyphenyl)-5-nitroindazol-3-yl]benzoic acid;4-[3-(4-methoxycarbonylphenyl)-5-nitroindazol-1-yl]benzoic acid;bis(4-[3-[4-[3-(methylamino)propylcarbamoyl]phenyl]indazol-1-yl]benzoic acid);prop-2-enyl 4-[1-[4-(2,5-dioxopyrrolidin-1-yl)oxycarbonylphenyl]indazol-3-yl]benzoate?

The canonical SMILES for 4-[3-[4-(3-aminopropylcarbamoyl)phenyl]indazol-1-yl]benzoic acid;4-[3-(4-carbamoylphenyl)-5-nitroindazol-1-yl]benzoic acid;4-[1-(4-carboxyphenyl)-5-nitroindazol-3-yl]benzoic acid;4-[3-(4-methoxycarbonylphenyl)-5-nitroindazol-1-yl]benzoic acid;bis(4-[3-[4-[3-(methylamino)propylcarbamoyl]phenyl]indazol-1-yl]benzoic acid);prop-2-enyl 4-[1-[4-(2,5-dioxopyrrolidin-1-yl)oxycarbonylphenyl]indazol-3-yl]benzoate is C=CCOC(=O)c1ccc(-c2nn(-c3ccc(C(=O)ON4C(=O)CCC4=O)cc3)c3ccccc23)cc1.CNCCCNC(=O)c1ccc(-c2nn(-c3ccc(C(=O)O)cc3)c3ccccc23)cc1.CNCCCNC(=O)c1ccc(-c2nn(-c3ccc(C(=O)O)cc3)c3ccccc23)cc1.COC(=O)c1ccc(-c2nn(-c3ccc(C(=O)O)cc3)c3ccc([N+](=O)[O-])cc23)cc1.NC(=O)c1ccc(-c2nn(-c3ccc(C(=O)O)cc3)c3ccc([N+](=O)[O-])cc23)cc1.NCCCNC(=O)c1ccc(-c2nn(-c3ccc(C(=O)O)cc3)c3ccccc23)cc1.O=C(O)c1ccc(-c2nn(-c3ccc(C(=O)O)cc3)c3ccc([N+](=O)[O-])cc23)cc1.

What is the InChIKey of 4-[3-[4-(3-aminopropylcarbamoyl)phenyl]indazol-1-yl]benzoic acid;4-[3-(4-carbamoylphenyl)-5-nitroindazol-1-yl]benzoic acid;4-[1-(4-carboxyphenyl)-5-nitroindazol-3-yl]benzoic acid;4-[3-(4-methoxycarbonylphenyl)-5-nitroindazol-1-yl]benzoic acid;bis(4-[3-[4-[3-(methylamino)propylcarbamoyl]phenyl]indazol-1-yl]benzoic acid);prop-2-enyl 4-[1-[4-(2,5-dioxopyrrolidin-1-yl)oxycarbonylphenyl]indazol-3-yl]benzoate?

The InChIKey is QTAWSKZSCHAUHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H21N3O6.2C25H24N4O3.C24H22N4O3.C22H15N3O6.C21H14N4O5.C21H13N3O6/c1-2-17-36-27(34)19-9-7-18(8-10-19)26-22-5-3-4-6-23(22)30(29-26)21-13-11-20(12-14-21)28(35)37-31-24(32)15-16-25(31)33;2*1-26-15-4-16-27-24(30)18-9-7-17(8-10-18)23-21-5-2-3-6-22(21)29(28-23)20-13-11-19(12-14-20)25(31)32;25-14-3-15-26-23(29)17-8-6-16(7-9-17)22-20-4-1-2-5-21(20)28(27-22)19-12-10-18(11-13-19)24(30)31;1-31-22(28)15-4-2-13(3-5-15)20-18-12-17(25(29)30)10-11-19(18)24(23-20)16-8-6-14(7-9-16)21(26)27;22-20(26)13-3-1-12(2-4-13)19-17-11-16(25(29)30)9-10-18(17)24(23-19)15-7-5-14(6-8-15)21(27)28;25-20(26)13-3-1-12(2-4-13)19-17-11-16(24(29)30)9-10-18(17)23(22-19)15-7-5-14(6-8-15)21(27)28/h2-14H,1,15-17H2;2*2-3,5-14,26H,4,15-16H2,1H3,(H,27,30)(H,31,32);1-2,4-13H,3,14-15,25H2,(H,26,29)(H,30,31);2-12H,1H3,(H,26,27);1-11H,(H2,22,26)(H,27,28);1-11H,(H,25,26)(H,27,28).

What are the key properties of 4-[3-[4-(3-aminopropylcarbamoyl)phenyl]indazol-1-yl]benzoic acid;4-[3-(4-carbamoylphenyl)-5-nitroindazol-1-yl]benzoic acid;4-[1-(4-carboxyphenyl)-5-nitroindazol-3-yl]benzoic acid;4-[3-(4-methoxycarbonylphenyl)-5-nitroindazol-1-yl]benzoic acid;bis(4-[3-[4-[3-(methylamino)propylcarbamoyl]phenyl]indazol-1-yl]benzoic acid);prop-2-enyl 4-[1-[4-(2,5-dioxopyrrolidin-1-yl)oxycarbonylphenyl]indazol-3-yl]benzoate?

4-[3-[4-(3-aminopropylcarbamoyl)phenyl]indazol-1-yl]benzoic acid;4-[3-(4-carbamoylphenyl)-5-nitroindazol-1-yl]benzoic acid;4-[1-(4-carboxyphenyl)-5-nitroindazol-3-yl]benzoic acid;4-[3-(4-methoxycarbonylphenyl)-5-nitroindazol-1-yl]benzoic acid;bis(4-[3-[4-[3-(methylamino)propylcarbamoyl]phenyl]indazol-1-yl]benzoic acid);prop-2-enyl 4-[1-[4-(2,5-dioxopyrrolidin-1-yl)oxycarbonylphenyl]indazol-3-yl]benzoate has a molecular weight of 2990.03 g/mol, XLogP of 26.67, 45 rotatable bonds, 14 hydrogen bond donors, and 42 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[3-[4-(3-aminopropylcarbamoyl)phenyl]indazol-1-yl]benzoic acid;4-[3-(4-carbamoylphenyl)-5-nitroindazol-1-yl]benzoic acid;4-[1-(4-carboxyphenyl)-5-nitroindazol-3-yl]benzoic acid;4-[3-(4-methoxycarbonylphenyl)-5-nitroindazol-1-yl]benzoic acid;bis(4-[3-[4-[3-(methylamino)propylcarbamoyl]phenyl]indazol-1-yl]benzoic acid);prop-2-enyl 4-[1-[4-(2,5-dioxopyrrolidin-1-yl)oxycarbonylphenyl]indazol-3-yl]benzoate is sourced from PubChem (CID 160511051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).