4-[3-(4-carbamoylphenyl)indazol-1-yl]benzoic acid;4-[1-(4-carboxyphenyl)indazol-3-yl]benzoic acid;[4-[1-(4-carboxyphenyl)indazol-3-yl]phenyl]-oxidoazanium;4-[3-(4-methoxycarbonylphenyl)indazol-1-yl]benzoic acid;4-[6-methoxy-3-(4-methoxyphenyl)indazol-1-yl]benzoic acid;4-[1-(4-nitrosophenyl)-2H-indazol-1-ium-3-yl]benzoic acid;4-[3-(4-prop-2-enoxycarbonylphenyl)indazol-1-yl]benzoic acid;hydroxide;hydrate

C150H113N17O27 — CID 159524346

IUPAC4-[3-(4-carbamoylphenyl)indazol-1-yl]benzoic acid;4-[1-(4-carboxyphenyl)indazol-3-yl]benzoic acid;[4-[1-(4-carboxyphenyl)indazol-3-yl]phenyl]-oxidoazanium;4-[3-(4-methoxycarbonylphenyl)indazol-1-yl]benzoic acid;4-[6-methoxy-3-(4-methoxyphenyl)indazol-1-yl]benzoic acid;4-[1-(4-nitrosophenyl)-2H-indazol-1-ium-3-yl]benzoic acid;4-[3-(4-prop-2-enoxycarbonylphenyl)indazol-1-yl]benzoic acid;hydroxide;hydrate
SMILESC=CCOC(=O)c1ccc(-c2nn(-c3ccc(C(=O)O)cc3)c3ccccc23)cc1.COC(=O)c1ccc(-c2nn(-c3ccc(C(=O)O)cc3)c3ccccc23)cc1.COc1ccc(-c2nn(-c3ccc(C(=O)O)cc3)c3cc(OC)ccc23)cc1.NC(=O)c1ccc(-c2nn(-c3ccc(C(=O)O)cc3)c3ccccc23)cc1.O.O=C(O)c1ccc(-c2nn(-c3ccc(C(=O)O)cc3)c3ccccc23)cc1.O=C(O)c1ccc(-n2nc(-c3ccc([NH2+][O-])cc3)c3ccccc32)cc1.O=Nc1ccc(-[n+]2[nH]c(-c3ccc(C(=O)O)cc3)c3ccccc32)cc1.[OH-]
InChIInChI=1S/C24H18N2O4.C22H18N2O4.C22H16N2O4.C21H15N3O3.C21H14N2O4.C20H15N3O3.C20H13N3O3.2H2O/c1-2-15-30-24(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;1-27-17-9-5-14(6-10-17)21-19-12-11-18(28-2)13-20(19)24(23-21)16-7-3-15(4-8-16)22(25)26;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;22-20(25)14-7-5-13(6-8-14)19-17-3-1-2-4-18(17)24(23-19)16-11-9-15(10-12-16)21(26)27;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;24-20(25)14-7-11-16(12-8-14)23-18-4-2-1-3-17(18)19(21-23)13-5-9-15(22-26)10-6-13;24-20(25)14-7-5-13(6-8-14)19-17-3-1-2-4-18(17)23(21-19)16-11-9-15(22-26)10-12-16;;/h2-14H,1,15H2,(H,27,28);3-13H,1-2H3,(H,25,26);2-13H,1H3,(H,25,26);1-12H,(H2,22,25)(H,26,27);1-12H,(H,24,25)(H,26,27);1-12H,22H2,(H,24,25);1-12H,(H,24,25);2*1H2
InChIKeyIFQNCERXNBXXJW-UHFFFAOYSA-N
MW2585.65 g/mol
LogP27.19
Rot. Bonds31

About 4-[3-(4-carbamoylphenyl)indazol-1-yl]benzoic acid;4-[1-(4-carboxyphenyl)indazol-3-yl]benzoic acid;[4-[1-(4-carboxyphenyl)indazol-3-yl]phenyl]-oxidoazanium;4-[3-(4-methoxycarbonylphenyl)indazol-1-yl]benzoic acid;4-[6-methoxy-3-(4-methoxyphenyl)indazol-1-yl]benzoic acid;4-[1-(4-nitrosophenyl)-2H-indazol-1-ium-3-yl]benzoic acid;4-[3-(4-prop-2-enoxycarbonylphenyl)indazol-1-yl]benzoic acid;hydroxide;hydrate

4-[3-(4-carbamoylphenyl)indazol-1-yl]benzoic acid;4-[1-(4-carboxyphenyl)indazol-3-yl]benzoic acid;[4-[1-(4-carboxyphenyl)indazol-3-yl]phenyl]-oxidoazanium;4-[3-(4-methoxycarbonylphenyl)indazol-1-yl]benzoic acid;4-[6-methoxy-3-(4-methoxyphenyl)indazol-1-yl]benzoic acid;4-[1-(4-nitrosophenyl)-2H-indazol-1-ium-3-yl]benzoic acid;4-[3-(4-prop-2-enoxycarbonylphenyl)indazol-1-yl]benzoic acid;hydroxide;hydrate (PubChem CID 159524346) has the molecular formula C150H113N17O27 and a molecular weight of 2585.65 g/mol. Its IUPAC name is 4-[3-(4-carbamoylphenyl)indazol-1-yl]benzoic acid;4-[1-(4-carboxyphenyl)indazol-3-yl]benzoic acid;[4-[1-(4-carboxyphenyl)indazol-3-yl]phenyl]-oxidoazanium;4-[3-(4-methoxycarbonylphenyl)indazol-1-yl]benzoic acid;4-[6-methoxy-3-(4-methoxyphenyl)indazol-1-yl]benzoic acid;4-[1-(4-nitrosophenyl)-2H-indazol-1-ium-3-yl]benzoic acid;4-[3-(4-prop-2-enoxycarbonylphenyl)indazol-1-yl]benzoic acid;hydroxide;hydrate.

Molecular Properties

Compound Name4-[3-(4-carbamoylphenyl)indazol-1-yl]benzoic acid;4-[1-(4-carboxyphenyl)indazol-3-yl]benzoic acid;[4-[1-(4-carboxyphenyl)indazol-3-yl]phenyl]-oxidoazanium;4-[3-(4-methoxycarbonylphenyl)indazol-1-yl]benzoic acid;4-[6-methoxy-3-(4-methoxyphenyl)indazol-1-yl]benzoic acid;4-[1-(4-nitrosophenyl)-2H-indazol-1-ium-3-yl]benzoic acid;4-[3-(4-prop-2-enoxycarbonylphenyl)indazol-1-yl]benzoic acid;hydroxide;hydrate
PubChem CID159524346
Molecular FormulaC150H113N17O27
Molecular Weight2585.65 g/mol
Exact Mass2583.80
IUPAC Name4-[3-(4-carbamoylphenyl)indazol-1-yl]benzoic acid;4-[1-(4-carboxyphenyl)indazol-3-yl]benzoic acid;[4-[1-(4-carboxyphenyl)indazol-3-yl]phenyl]-oxidoazanium;4-[3-(4-methoxycarbonylphenyl)indazol-1-yl]benzoic acid;4-[6-methoxy-3-(4-methoxyphenyl)indazol-1-yl]benzoic acid;4-[1-(4-nitrosophenyl)-2H-indazol-1-ium-3-yl]benzoic acid;4-[3-(4-prop-2-enoxycarbonylphenyl)indazol-1-yl]benzoic acid;hydroxide;hydrate
SMILESC=CCOC(=O)c1ccc(-c2nn(-c3ccc(C(=O)O)cc3)c3ccccc23)cc1.COC(=O)c1ccc(-c2nn(-c3ccc(C(=O)O)cc3)c3ccccc23)cc1.COc1ccc(-c2nn(-c3ccc(C(=O)O)cc3)c3cc(OC)ccc23)cc1.NC(=O)c1ccc(-c2nn(-c3ccc(C(=O)O)cc3)c3ccccc23)cc1.O.O=C(O)c1ccc(-c2nn(-c3ccc(C(=O)O)cc3)c3ccccc23)cc1.O=C(O)c1ccc(-n2nc(-c3ccc([NH2+][O-])cc3)c3ccccc32)cc1.O=Nc1ccc(-[n+]2[nH]c(-c3ccc(C(=O)O)cc3)c3ccccc32)cc1.[OH-]
InChIInChI=1S/C24H18N2O4.C22H18N2O4.C22H16N2O4.C21H15N3O3.C21H14N2O4.C20H15N3O3.C20H13N3O3.2H2O/c1-2-15-30-24(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;1-27-17-9-5-14(6-10-17)21-19-12-11-18(28-2)13-20(19)24(23-21)16-7-3-15(4-8-16)22(25)26;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;22-20(25)14-7-5-13(6-8-14)19-17-3-1-2-4-18(17)24(23-19)16-11-9-15(10-12-16)21(26)27;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;24-20(25)14-7-11-16(12-8-14)23-18-4-2-1-3-17(18)19(21-23)13-5-9-15(22-26)10-6-13;24-20(25)14-7-5-13(6-8-14)19-17-3-1-2-4-18(17)23(21-19)16-11-9-15(22-26)10-12-16;;/h2-14H,1,15H2,(H,27,28);3-13H,1-2H3,(H,25,26);2-13H,1H3,(H,25,26);1-12H,(H2,22,25)(H,26,27);1-12H,(H,24,25)(H,26,27);1-12H,22H2,(H,24,25);1-12H,(H,24,25);2*1H2
InChIKeyIFQNCERXNBXXJW-UHFFFAOYSA-N
XLogP27.19
TPSA669.74 Ų
H-Bond Donors11
H-Bond Acceptors31
Rotatable Bonds31
Heavy Atoms194
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002585.65
LogP ≤ 527.19
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1031

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Analyze 4-[3-(4-carbamoylphenyl)indazol-1-yl]benzoic acid;4-[1-(4-carboxyphenyl)indazol-3-yl]benzoic acid;[4-[1-(4-carboxyphenyl)indazol-3-yl]phenyl]-oxidoazanium;4-[3-(4-methoxycarbonylphenyl)indazol-1-yl]benzoic acid;4-[6-methoxy-3-(4-methoxyphenyl)indazol-1-yl]benzoic acid;4-[1-(4-nitrosophenyl)-2H-indazol-1-ium-3-yl]benzoic acid;4-[3-(4-prop-2-enoxycarbonylphenyl)indazol-1-yl]benzoic acid;hydroxide;hydrate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[4-[1-(4-carboxyphenyl)indazol-3-yl]phenyl]-oxidoazanium
CID 59960131
4-[1-(4-carbamoylphenyl)indazol-3-yl]benzoic acid
CID 22012959
4-[3-[4-(hydroxyamino)phenyl]indazol-1-yl]benzoic acid
CID 91487700
4-[4-[4-[4-(4-carboxyphenoxy)phenyl]phenyl]-1-oxophthalazin-2-yl]benzoic acid
CID 100961465
butyl 4-(3-methoxyindazol-1-yl)benzoate
CID 30388
4-prop-2-enoxycarbonylbenzoic acid
CID 18349855
4-[4-[4-(4-cyanophenoxy)phenyl]-1-oxophthalazin-2-yl]benzoic acid
CID 102372524
4-(4-ethoxyphenyl)-2-[4-(4-ethylbenzoyl)phenyl]phthalazin-1-one
CID 58671556
4-[(4-methoxyphenyl)methyl]-2-[4-[4-[(4-methoxyphenyl)methylideneamino]phenyl]phenyl]phthalazin-1-one
CID 132522445
4-[4-(4-chlorophenyl)-1-oxophthalazin-2-yl]benzoic acid
CID 16772339
prop-2-enyl 4-(3,5-dimethylpyrazol-1-yl)benzoate
CID 50887443
N-(4-methoxyphenyl)-4-(3-methyl-4-oxophthalazin-1-yl)benzamide
CID 1087197

Frequently Asked Questions

What is the IUPAC name of 4-[3-(4-carbamoylphenyl)indazol-1-yl]benzoic acid;4-[1-(4-carboxyphenyl)indazol-3-yl]benzoic acid;[4-[1-(4-carboxyphenyl)indazol-3-yl]phenyl]-oxidoazanium;4-[3-(4-methoxycarbonylphenyl)indazol-1-yl]benzoic acid;4-[6-methoxy-3-(4-methoxyphenyl)indazol-1-yl]benzoic acid;4-[1-(4-nitrosophenyl)-2H-indazol-1-ium-3-yl]benzoic acid;4-[3-(4-prop-2-enoxycarbonylphenyl)indazol-1-yl]benzoic acid;hydroxide;hydrate?
The IUPAC name of 4-[3-(4-carbamoylphenyl)indazol-1-yl]benzoic acid;4-[1-(4-carboxyphenyl)indazol-3-yl]benzoic acid;[4-[1-(4-carboxyphenyl)indazol-3-yl]phenyl]-oxidoazanium;4-[3-(4-methoxycarbonylphenyl)indazol-1-yl]benzoic acid;4-[6-methoxy-3-(4-methoxyphenyl)indazol-1-yl]benzoic acid;4-[1-(4-nitrosophenyl)-2H-indazol-1-ium-3-yl]benzoic acid;4-[3-(4-prop-2-enoxycarbonylphenyl)indazol-1-yl]benzoic acid;hydroxide;hydrate (CID 159524346) is 4-[3-(4-carbamoylphenyl)indazol-1-yl]benzoic acid;4-[1-(4-carboxyphenyl)indazol-3-yl]benzoic acid;[4-[1-(4-carboxyphenyl)indazol-3-yl]phenyl]-oxidoazanium;4-[3-(4-methoxycarbonylphenyl)indazol-1-yl]benzoic acid;4-[6-methoxy-3-(4-methoxyphenyl)indazol-1-yl]benzoic acid;4-[1-(4-nitrosophenyl)-2H-indazol-1-ium-3-yl]benzoic acid;4-[3-(4-prop-2-enoxycarbonylphenyl)indazol-1-yl]benzoic acid;hydroxide;hydrate.
What is the SMILES notation for 4-[3-(4-carbamoylphenyl)indazol-1-yl]benzoic acid;4-[1-(4-carboxyphenyl)indazol-3-yl]benzoic acid;[4-[1-(4-carboxyphenyl)indazol-3-yl]phenyl]-oxidoazanium;4-[3-(4-methoxycarbonylphenyl)indazol-1-yl]benzoic acid;4-[6-methoxy-3-(4-methoxyphenyl)indazol-1-yl]benzoic acid;4-[1-(4-nitrosophenyl)-2H-indazol-1-ium-3-yl]benzoic acid;4-[3-(4-prop-2-enoxycarbonylphenyl)indazol-1-yl]benzoic acid;hydroxide;hydrate?
The canonical SMILES for 4-[3-(4-carbamoylphenyl)indazol-1-yl]benzoic acid;4-[1-(4-carboxyphenyl)indazol-3-yl]benzoic acid;[4-[1-(4-carboxyphenyl)indazol-3-yl]phenyl]-oxidoazanium;4-[3-(4-methoxycarbonylphenyl)indazol-1-yl]benzoic acid;4-[6-methoxy-3-(4-methoxyphenyl)indazol-1-yl]benzoic acid;4-[1-(4-nitrosophenyl)-2H-indazol-1-ium-3-yl]benzoic acid;4-[3-(4-prop-2-enoxycarbonylphenyl)indazol-1-yl]benzoic acid;hydroxide;hydrate is C=CCOC(=O)c1ccc(-c2nn(-c3ccc(C(=O)O)cc3)c3ccccc23)cc1.COC(=O)c1ccc(-c2nn(-c3ccc(C(=O)O)cc3)c3ccccc23)cc1.COc1ccc(-c2nn(-c3ccc(C(=O)O)cc3)c3cc(OC)ccc23)cc1.NC(=O)c1ccc(-c2nn(-c3ccc(C(=O)O)cc3)c3ccccc23)cc1.O.O=C(O)c1ccc(-c2nn(-c3ccc(C(=O)O)cc3)c3ccccc23)cc1.O=C(O)c1ccc(-n2nc(-c3ccc([NH2+][O-])cc3)c3ccccc32)cc1.O=Nc1ccc(-[n+]2[nH]c(-c3ccc(C(=O)O)cc3)c3ccccc32)cc1.[OH-].
What is the InChIKey of 4-[3-(4-carbamoylphenyl)indazol-1-yl]benzoic acid;4-[1-(4-carboxyphenyl)indazol-3-yl]benzoic acid;[4-[1-(4-carboxyphenyl)indazol-3-yl]phenyl]-oxidoazanium;4-[3-(4-methoxycarbonylphenyl)indazol-1-yl]benzoic acid;4-[6-methoxy-3-(4-methoxyphenyl)indazol-1-yl]benzoic acid;4-[1-(4-nitrosophenyl)-2H-indazol-1-ium-3-yl]benzoic acid;4-[3-(4-prop-2-enoxycarbonylphenyl)indazol-1-yl]benzoic acid;hydroxide;hydrate?
The InChIKey is IFQNCERXNBXXJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18N2O4.C22H18N2O4.C22H16N2O4.C21H15N3O3.C21H14N2O4.C20H15N3O3.C20H13N3O3.2H2O/c1-2-15-30-24(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;1-27-17-9-5-14(6-10-17)21-19-12-11-18(28-2)13-20(19)24(23-21)16-7-3-15(4-8-16)22(25)26;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;22-20(25)14-7-5-13(6-8-14)19-17-3-1-2-4-18(17)24(23-19)16-11-9-15(10-12-16)21(26)27;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;24-20(25)14-7-11-16(12-8-14)23-18-4-2-1-3-17(18)19(21-23)13-5-9-15(22-26)10-6-13;24-20(25)14-7-5-13(6-8-14)19-17-3-1-2-4-18(17)23(21-19)16-11-9-15(22-26)10-12-16;;/h2-14H,1,15H2,(H,27,28);3-13H,1-2H3,(H,25,26);2-13H,1H3,(H,25,26);1-12H,(H2,22,25)(H,26,27);1-12H,(H,24,25)(H,26,27);1-12H,22H2,(H,24,25);1-12H,(H,24,25);2*1H2.
What are the key properties of 4-[3-(4-carbamoylphenyl)indazol-1-yl]benzoic acid;4-[1-(4-carboxyphenyl)indazol-3-yl]benzoic acid;[4-[1-(4-carboxyphenyl)indazol-3-yl]phenyl]-oxidoazanium;4-[3-(4-methoxycarbonylphenyl)indazol-1-yl]benzoic acid;4-[6-methoxy-3-(4-methoxyphenyl)indazol-1-yl]benzoic acid;4-[1-(4-nitrosophenyl)-2H-indazol-1-ium-3-yl]benzoic acid;4-[3-(4-prop-2-enoxycarbonylphenyl)indazol-1-yl]benzoic acid;hydroxide;hydrate?
4-[3-(4-carbamoylphenyl)indazol-1-yl]benzoic acid;4-[1-(4-carboxyphenyl)indazol-3-yl]benzoic acid;[4-[1-(4-carboxyphenyl)indazol-3-yl]phenyl]-oxidoazanium;4-[3-(4-methoxycarbonylphenyl)indazol-1-yl]benzoic acid;4-[6-methoxy-3-(4-methoxyphenyl)indazol-1-yl]benzoic acid;4-[1-(4-nitrosophenyl)-2H-indazol-1-ium-3-yl]benzoic acid;4-[3-(4-prop-2-enoxycarbonylphenyl)indazol-1-yl]benzoic acid;hydroxide;hydrate has a molecular weight of 2585.65 g/mol, XLogP of 27.19, 31 rotatable bonds, 11 hydrogen bond donors, and 31 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(4-carbamoylphenyl)indazol-1-yl]benzoic acid;4-[1-(4-carboxyphenyl)indazol-3-yl]benzoic acid;[4-[1-(4-carboxyphenyl)indazol-3-yl]phenyl]-oxidoazanium;4-[3-(4-methoxycarbonylphenyl)indazol-1-yl]benzoic acid;4-[6-methoxy-3-(4-methoxyphenyl)indazol-1-yl]benzoic acid;4-[1-(4-nitrosophenyl)-2H-indazol-1-ium-3-yl]benzoic acid;4-[3-(4-prop-2-enoxycarbonylphenyl)indazol-1-yl]benzoic acid;hydroxide;hydrate is sourced from PubChem (CID 159524346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).