4-[3-[4-(3-aminopropylcarbamoyl)phenyl]indazol-1-yl]benzoic acid;4-[1-(4-carboxyphenyl)indazol-3-yl]benzoic acid;4-[3-[4-[3-(9H-fluoren-9-ylmethoxycarbonylamino)propylcarbamoyl]phenyl]indazol-1-yl]benzoic acid;4-[3-(4-methoxycarbonylphenyl)indazol-1-yl]benzoic acid;4-[3-[4-[3-(methylamino)propylcarbamoyl]phenyl]indazol-1-yl]benzoic acid;4-[3-(4-prop-2-enoxycarbonylphenyl)indazol-1-yl]benzoic acid;prop-2-enyl 4-[1-[4-(2,5-dioxopyrrolidin-1-yl)oxycarbonylphenyl]indazol-3-yl]benzoate

C183H147N21O29 — CID 157385814

About 4-[3-[4-(3-aminopropylcarbamoyl)phenyl]indazol-1-yl]benzoic acid;4-[1-(4-carboxyphenyl)indazol-3-yl]benzoic acid;4-[3-[4-[3-(9H-fluoren-9-ylmethoxycarbonylamino)propylcarbamoyl]phenyl]indazol-1-yl]benzoic acid;4-[3-(4-methoxycarbonylphenyl)indazol-1-yl]benzoic acid;4-[3-[4-[3-(methylamino)propylcarbamoyl]phenyl]indazol-1-yl]benzoic acid;4-[3-(4-prop-2-enoxycarbonylphenyl)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-[1-(4-carboxyphenyl)indazol-3-yl]benzoic acid;4-[3-[4-[3-(9H-fluoren-9-ylmethoxycarbonylamino)propylcarbamoyl]phenyl]indazol-1-yl]benzoic acid;4-[3-(4-methoxycarbonylphenyl)indazol-1-yl]benzoic acid;4-[3-[4-[3-(methylamino)propylcarbamoyl]phenyl]indazol-1-yl]benzoic acid;4-[3-(4-prop-2-enoxycarbonylphenyl)indazol-1-yl]benzoic acid;prop-2-enyl 4-[1-[4-(2,5-dioxopyrrolidin-1-yl)oxycarbonylphenyl]indazol-3-yl]benzoate (PubChem CID 157385814) has the molecular formula C183H147N21O29 and a molecular weight of 3104.31 g/mol. Its IUPAC name is 4-[3-[4-(3-aminopropylcarbamoyl)phenyl]indazol-1-yl]benzoic acid;4-[1-(4-carboxyphenyl)indazol-3-yl]benzoic acid;4-[3-[4-[3-(9H-fluoren-9-ylmethoxycarbonylamino)propylcarbamoyl]phenyl]indazol-1-yl]benzoic acid;4-[3-(4-methoxycarbonylphenyl)indazol-1-yl]benzoic acid;4-[3-[4-[3-(methylamino)propylcarbamoyl]phenyl]indazol-1-yl]benzoic acid;4-[3-(4-prop-2-enoxycarbonylphenyl)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-[1-(4-carboxyphenyl)indazol-3-yl]benzoic acid;4-[3-[4-[3-(9H-fluoren-9-ylmethoxycarbonylamino)propylcarbamoyl]phenyl]indazol-1-yl]benzoic acid;4-[3-(4-methoxycarbonylphenyl)indazol-1-yl]benzoic acid;4-[3-[4-[3-(methylamino)propylcarbamoyl]phenyl]indazol-1-yl]benzoic acid;4-[3-(4-prop-2-enoxycarbonylphenyl)indazol-1-yl]benzoic acid;prop-2-enyl 4-[1-[4-(2,5-dioxopyrrolidin-1-yl)oxycarbonylphenyl]indazol-3-yl]benzoate
• PubChem CID: 157385814
• Molecular Formula: C183H147N21O29
• Molecular Weight: 3104.31 g/mol
• Exact Mass: 3102.07
• IUPAC Name: 4-[3-[4-(3-aminopropylcarbamoyl)phenyl]indazol-1-yl]benzoic acid;4-[1-(4-carboxyphenyl)indazol-3-yl]benzoic acid;4-[3-[4-[3-(9H-fluoren-9-ylmethoxycarbonylamino)propylcarbamoyl]phenyl]indazol-1-yl]benzoic acid;4-[3-(4-methoxycarbonylphenyl)indazol-1-yl]benzoic acid;4-[3-[4-[3-(methylamino)propylcarbamoyl]phenyl]indazol-1-yl]benzoic acid;4-[3-(4-prop-2-enoxycarbonylphenyl)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)O)cc3)c3ccccc23)cc1.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.COC(=O)c1ccc(-c2nn(-c3ccc(C(=O)O)cc3)c3ccccc23)cc1.NCCCNC(=O)c1ccc(-c2nn(-c3ccc(C(=O)O)cc3)c3ccccc23)cc1.O=C(NCCCNC(=O)c1ccc(-c2nn(-c3ccc(C(=O)O)cc3)c3ccccc23)cc1)OCC1c2ccccc2-c2ccccc21.O=C(O)c1ccc(-c2nn(-c3ccc(C(=O)O)cc3)c3ccccc23)cc1
• InChI: InChI=1S/C39H32N4O5.C28H21N3O6.C25H24N4O3.C24H22N4O3.C24H18N2O4.C22H16N2O4.C21H14N2O4/c44-37(40-22-7-23-41-39(47)48-24-34-31-10-3-1-8-29(31)30-9-2-4-11-32(30)34)26-16-14-25(15-17-26)36-33-12-5-6-13-35(33)43(42-36)28-20-18-27(19-21-28)38(45)46;1-2-17-36-27(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;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;1-2-15-30-24(29)18-9-7-16(8-10-18)22-20-5-3-4-6-21(20)26(25-22)19-13-11-17(12-14-19)23(27)28;1-28-22(27)16-8-6-14(7-9-16)20-18-4-2-3-5-19(18)24(23-20)17-12-10-15(11-13-17)21(25)26;24-20(25)14-7-5-13(6-8-14)19-17-3-1-2-4-18(17)23(22-19)16-11-9-15(10-12-16)21(26)27/h1-6,8-21,34H,7,22-24H2,(H,40,44)(H,41,47)(H,45,46);2-14H,1,15-17H2;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);2-14H,1,15H2,(H,27,28);2-13H,1H3,(H,25,26);1-12H,(H,24,25)(H,26,27)
• InChIKey: BLKJSTKPGGMMQB-UHFFFAOYSA-N
• XLogP: 31.50
• TPSA: 692.10 Ų
• H-Bond Donors: 13
• H-Bond Acceptors: 38
• Rotatable Bonds: 46
• Heavy Atoms: 233
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3104.31
LogP ≤ 5	31.50
H-Bond Donors ≤ 5	13
H-Bond Acceptors ≤ 10	38

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', '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-[1-(4-carboxyphenyl)indazol-3-yl]benzoic acid;4-[3-[4-[3-(9H-fluoren-9-ylmethoxycarbonylamino)propylcarbamoyl]phenyl]indazol-1-yl]benzoic acid;4-[3-(4-methoxycarbonylphenyl)indazol-1-yl]benzoic acid;4-[3-[4-[3-(methylamino)propylcarbamoyl]phenyl]indazol-1-yl]benzoic acid;4-[3-(4-prop-2-enoxycarbonylphenyl)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-[1-(4-carboxyphenyl)indazol-3-yl]benzoic acid;4-[3-[4-[3-(9H-fluoren-9-ylmethoxycarbonylamino)propylcarbamoyl]phenyl]indazol-1-yl]benzoic acid;4-[3-(4-methoxycarbonylphenyl)indazol-1-yl]benzoic acid;4-[3-[4-[3-(methylamino)propylcarbamoyl]phenyl]indazol-1-yl]benzoic acid;4-[3-(4-prop-2-enoxycarbonylphenyl)indazol-1-yl]benzoic acid;prop-2-enyl 4-[1-[4-(2,5-dioxopyrrolidin-1-yl)oxycarbonylphenyl]indazol-3-yl]benzoate (CID 157385814) is 4-[3-[4-(3-aminopropylcarbamoyl)phenyl]indazol-1-yl]benzoic acid;4-[1-(4-carboxyphenyl)indazol-3-yl]benzoic acid;4-[3-[4-[3-(9H-fluoren-9-ylmethoxycarbonylamino)propylcarbamoyl]phenyl]indazol-1-yl]benzoic acid;4-[3-(4-methoxycarbonylphenyl)indazol-1-yl]benzoic acid;4-[3-[4-[3-(methylamino)propylcarbamoyl]phenyl]indazol-1-yl]benzoic acid;4-[3-(4-prop-2-enoxycarbonylphenyl)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-[1-(4-carboxyphenyl)indazol-3-yl]benzoic acid;4-[3-[4-[3-(9H-fluoren-9-ylmethoxycarbonylamino)propylcarbamoyl]phenyl]indazol-1-yl]benzoic acid;4-[3-(4-methoxycarbonylphenyl)indazol-1-yl]benzoic acid;4-[3-[4-[3-(methylamino)propylcarbamoyl]phenyl]indazol-1-yl]benzoic acid;4-[3-(4-prop-2-enoxycarbonylphenyl)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-[1-(4-carboxyphenyl)indazol-3-yl]benzoic acid;4-[3-[4-[3-(9H-fluoren-9-ylmethoxycarbonylamino)propylcarbamoyl]phenyl]indazol-1-yl]benzoic acid;4-[3-(4-methoxycarbonylphenyl)indazol-1-yl]benzoic acid;4-[3-[4-[3-(methylamino)propylcarbamoyl]phenyl]indazol-1-yl]benzoic acid;4-[3-(4-prop-2-enoxycarbonylphenyl)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)O)cc3)c3ccccc23)cc1.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.COC(=O)c1ccc(-c2nn(-c3ccc(C(=O)O)cc3)c3ccccc23)cc1.NCCCNC(=O)c1ccc(-c2nn(-c3ccc(C(=O)O)cc3)c3ccccc23)cc1.O=C(NCCCNC(=O)c1ccc(-c2nn(-c3ccc(C(=O)O)cc3)c3ccccc23)cc1)OCC1c2ccccc2-c2ccccc21.O=C(O)c1ccc(-c2nn(-c3ccc(C(=O)O)cc3)c3ccccc23)cc1.

What is the InChIKey of 4-[3-[4-(3-aminopropylcarbamoyl)phenyl]indazol-1-yl]benzoic acid;4-[1-(4-carboxyphenyl)indazol-3-yl]benzoic acid;4-[3-[4-[3-(9H-fluoren-9-ylmethoxycarbonylamino)propylcarbamoyl]phenyl]indazol-1-yl]benzoic acid;4-[3-(4-methoxycarbonylphenyl)indazol-1-yl]benzoic acid;4-[3-[4-[3-(methylamino)propylcarbamoyl]phenyl]indazol-1-yl]benzoic acid;4-[3-(4-prop-2-enoxycarbonylphenyl)indazol-1-yl]benzoic acid;prop-2-enyl 4-[1-[4-(2,5-dioxopyrrolidin-1-yl)oxycarbonylphenyl]indazol-3-yl]benzoate?

The InChIKey is BLKJSTKPGGMMQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H32N4O5.C28H21N3O6.C25H24N4O3.C24H22N4O3.C24H18N2O4.C22H16N2O4.C21H14N2O4/c44-37(40-22-7-23-41-39(47)48-24-34-31-10-3-1-8-29(31)30-9-2-4-11-32(30)34)26-16-14-25(15-17-26)36-33-12-5-6-13-35(33)43(42-36)28-20-18-27(19-21-28)38(45)46;1-2-17-36-27(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;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;1-2-15-30-24(29)18-9-7-16(8-10-18)22-20-5-3-4-6-21(20)26(25-22)19-13-11-17(12-14-19)23(27)28;1-28-22(27)16-8-6-14(7-9-16)20-18-4-2-3-5-19(18)24(23-20)17-12-10-15(11-13-17)21(25)26;24-20(25)14-7-5-13(6-8-14)19-17-3-1-2-4-18(17)23(22-19)16-11-9-15(10-12-16)21(26)27/h1-6,8-21,34H,7,22-24H2,(H,40,44)(H,41,47)(H,45,46);2-14H,1,15-17H2;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);2-14H,1,15H2,(H,27,28);2-13H,1H3,(H,25,26);1-12H,(H,24,25)(H,26,27).

What are the key properties of 4-[3-[4-(3-aminopropylcarbamoyl)phenyl]indazol-1-yl]benzoic acid;4-[1-(4-carboxyphenyl)indazol-3-yl]benzoic acid;4-[3-[4-[3-(9H-fluoren-9-ylmethoxycarbonylamino)propylcarbamoyl]phenyl]indazol-1-yl]benzoic acid;4-[3-(4-methoxycarbonylphenyl)indazol-1-yl]benzoic acid;4-[3-[4-[3-(methylamino)propylcarbamoyl]phenyl]indazol-1-yl]benzoic acid;4-[3-(4-prop-2-enoxycarbonylphenyl)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-[1-(4-carboxyphenyl)indazol-3-yl]benzoic acid;4-[3-[4-[3-(9H-fluoren-9-ylmethoxycarbonylamino)propylcarbamoyl]phenyl]indazol-1-yl]benzoic acid;4-[3-(4-methoxycarbonylphenyl)indazol-1-yl]benzoic acid;4-[3-[4-[3-(methylamino)propylcarbamoyl]phenyl]indazol-1-yl]benzoic acid;4-[3-(4-prop-2-enoxycarbonylphenyl)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 3104.31 g/mol, XLogP of 31.50, 46 rotatable bonds, 13 hydrogen bond donors, and 38 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[3-[4-(3-aminopropylcarbamoyl)phenyl]indazol-1-yl]benzoic acid;4-[1-(4-carboxyphenyl)indazol-3-yl]benzoic acid;4-[3-[4-[3-(9H-fluoren-9-ylmethoxycarbonylamino)propylcarbamoyl]phenyl]indazol-1-yl]benzoic acid;4-[3-(4-methoxycarbonylphenyl)indazol-1-yl]benzoic acid;4-[3-[4-[3-(methylamino)propylcarbamoyl]phenyl]indazol-1-yl]benzoic acid;4-[3-(4-prop-2-enoxycarbonylphenyl)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 157385814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).