5-amino-N-methyl-1H-indazole-3-carboxamide;1H-indazole-3-carboxylic acid;N-methyl-5-nitro-1H-indazole-3-carboxamide;N-methyl-5-[[1-[2-oxo-2-[4-(4-pyrimidin-2-ylphenyl)piperazin-1-yl]ethyl]pyrrolidine-3-carbonyl]amino]-1H-indazole-3-carboxamide;5-nitro-1H-indazole-3-carboxylic acid

C64H62N22O13 — CID 159937825

IUPAC5-amino-N-methyl-1H-indazole-3-carboxamide;1H-indazole-3-carboxylic acid;N-methyl-5-nitro-1H-indazole-3-carboxamide;N-methyl-5-[[1-[2-oxo-2-[4-(4-pyrimidin-2-ylphenyl)piperazin-1-yl]ethyl]pyrrolidine-3-carbonyl]amino]-1H-indazole-3-carboxamide;5-nitro-1H-indazole-3-carboxylic acid
SMILESCNC(=O)c1n[nH]c2ccc(N)cc12.CNC(=O)c1n[nH]c2ccc(NC(=O)C3CCN(CC(=O)N4CCN(c5ccc(-c6ncccn6)cc5)CC4)C3)cc12.CNC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc12.O=C(O)c1n[nH]c2ccc([N+](=O)[O-])cc12.O=C(O)c1n[nH]c2ccccc12
InChIInChI=1S/C30H33N9O3.C9H8N4O3.C9H10N4O.C8H5N3O4.C8H6N2O2/c1-31-30(42)27-24-17-22(5-8-25(24)35-36-27)34-29(41)21-9-12-37(18-21)19-26(40)39-15-13-38(14-16-39)23-6-3-20(4-7-23)28-32-10-2-11-33-28;1-10-9(14)8-6-4-5(13(15)16)2-3-7(6)11-12-8;1-11-9(14)8-6-4-5(10)2-3-7(6)12-13-8;12-8(13)7-5-3-4(11(14)15)1-2-6(5)9-10-7;11-8(12)7-5-3-1-2-4-6(5)9-10-7/h2-8,10-11,17,21H,9,12-16,18-19H2,1H3,(H,31,42)(H,34,41)(H,35,36);2-4H,1H3,(H,10,14)(H,11,12);2-4H,10H2,1H3,(H,11,14)(H,12,13);1-3H,(H,9,10)(H,12,13);1-4H,(H,9,10)(H,11,12)
InChIKeyOAMGFHZTOIHFOP-UHFFFAOYSA-N
MW1347.34 g/mol
LogP5.75
Rot. Bonds13

About 5-amino-N-methyl-1H-indazole-3-carboxamide;1H-indazole-3-carboxylic acid;N-methyl-5-nitro-1H-indazole-3-carboxamide;N-methyl-5-[[1-[2-oxo-2-[4-(4-pyrimidin-2-ylphenyl)piperazin-1-yl]ethyl]pyrrolidine-3-carbonyl]amino]-1H-indazole-3-carboxamide;5-nitro-1H-indazole-3-carboxylic acid

5-amino-N-methyl-1H-indazole-3-carboxamide;1H-indazole-3-carboxylic acid;N-methyl-5-nitro-1H-indazole-3-carboxamide;N-methyl-5-[[1-[2-oxo-2-[4-(4-pyrimidin-2-ylphenyl)piperazin-1-yl]ethyl]pyrrolidine-3-carbonyl]amino]-1H-indazole-3-carboxamide;5-nitro-1H-indazole-3-carboxylic acid (PubChem CID 159937825) has the molecular formula C64H62N22O13 and a molecular weight of 1347.34 g/mol. Its IUPAC name is 5-amino-N-methyl-1H-indazole-3-carboxamide;1H-indazole-3-carboxylic acid;N-methyl-5-nitro-1H-indazole-3-carboxamide;N-methyl-5-[[1-[2-oxo-2-[4-(4-pyrimidin-2-ylphenyl)piperazin-1-yl]ethyl]pyrrolidine-3-carbonyl]amino]-1H-indazole-3-carboxamide;5-nitro-1H-indazole-3-carboxylic acid.

Molecular Properties

Compound Name5-amino-N-methyl-1H-indazole-3-carboxamide;1H-indazole-3-carboxylic acid;N-methyl-5-nitro-1H-indazole-3-carboxamide;N-methyl-5-[[1-[2-oxo-2-[4-(4-pyrimidin-2-ylphenyl)piperazin-1-yl]ethyl]pyrrolidine-3-carbonyl]amino]-1H-indazole-3-carboxamide;5-nitro-1H-indazole-3-carboxylic acid
PubChem CID159937825
Molecular FormulaC64H62N22O13
Molecular Weight1347.34 g/mol
Exact Mass1346.49
IUPAC Name5-amino-N-methyl-1H-indazole-3-carboxamide;1H-indazole-3-carboxylic acid;N-methyl-5-nitro-1H-indazole-3-carboxamide;N-methyl-5-[[1-[2-oxo-2-[4-(4-pyrimidin-2-ylphenyl)piperazin-1-yl]ethyl]pyrrolidine-3-carbonyl]amino]-1H-indazole-3-carboxamide;5-nitro-1H-indazole-3-carboxylic acid
SMILESCNC(=O)c1n[nH]c2ccc(N)cc12.CNC(=O)c1n[nH]c2ccc(NC(=O)C3CCN(CC(=O)N4CCN(c5ccc(-c6ncccn6)cc5)CC4)C3)cc12.CNC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc12.O=C(O)c1n[nH]c2ccc([N+](=O)[O-])cc12.O=C(O)c1n[nH]c2ccccc12
InChIInChI=1S/C30H33N9O3.C9H8N4O3.C9H10N4O.C8H5N3O4.C8H6N2O2/c1-31-30(42)27-24-17-22(5-8-25(24)35-36-27)34-29(41)21-9-12-37(18-21)19-26(40)39-15-13-38(14-16-39)23-6-3-20(4-7-23)28-32-10-2-11-33-28;1-10-9(14)8-6-4-5(13(15)16)2-3-7(6)11-12-8;1-11-9(14)8-6-4-5(10)2-3-7(6)12-13-8;12-8(13)7-5-3-4(11(14)15)1-2-6(5)9-10-7;11-8(12)7-5-3-1-2-4-6(5)9-10-7/h2-8,10-11,17,21H,9,12-16,18-19H2,1H3,(H,31,42)(H,34,41)(H,35,36);2-4H,1H3,(H,10,14)(H,11,12);2-4H,10H2,1H3,(H,11,14)(H,12,13);1-3H,(H,9,10)(H,12,13);1-4H,(H,9,10)(H,11,12)
InChIKeyOAMGFHZTOIHFOP-UHFFFAOYSA-N
XLogP5.75
TPSA499.27 Ų
H-Bond Donors12
H-Bond Acceptors21
Rotatable Bonds13
Heavy Atoms99
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001347.34
LogP ≤ 55.75
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1021

Computed Properties (RDKit)

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

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Related Compounds

1,1,1,4,4,4-hexafluorobutane-2,3-dione;5-[[1-[2-oxo-2-[4-(4-pyrimidin-2-ylphenyl)piperazin-1-yl]ethyl]pyrrolidine-3-carbonyl]amino]-1H-indazole-3-carboxylic acid
CID 160540004
1,1,1,4,4,4-hexafluorobutane-2,3-dione;5-[[(3R)-1-[2-oxo-2-[4-(4-pyrimidin-2-ylphenyl)piperazin-1-yl]ethyl]pyrrolidine-3-carbonyl]amino]-1H-indazole-3-carboxylic acid
CID 160540005
5-[[(3R)-1-[2-oxo-2-[4-(4-pyrimidin-2-ylphenyl)piperazin-1-yl]ethyl]pyrrolidine-3-carbonyl]amino]-1H-indazole-3-carboxylic acid
CID 57685654
methyl (2S)-3-(4-hydroxyphenyl)-2-[[5-[[(3R)-1-[2-oxo-2-[4-(4-pyrimidin-2-ylphenyl)piperazin-1-yl]ethyl]pyrrolidine-3-carbonyl]amino]-1H-indazole-3-carbonyl]amino]propanoate
CID 57686007
5-[[1-[2-oxo-2-[4-(4-pyrimidin-2-ylphenyl)piperazin-1-yl]ethyl]pyrrolidine-3-carbonyl]amino]-1H-indazole-3-carboxylic acid
CID 57686408
methyl 5-[[(3R)-1-[2-oxo-2-[4-(4-pyrimidin-2-ylphenyl)piperazin-1-yl]ethyl]pyrrolidine-3-carbonyl]amino]-1H-indazole-3-carboxylate
CID 57686559
5-[[1-[2-oxo-2-[4-(2-pyrimidin-2-ylethynyl)piperidin-1-yl]ethyl]pyrrolidine-3-carbonyl]amino]-1H-indazole-3-carboxylic acid
CID 123309169
N-[2-(dimethylamino)ethyl]-1-(4-pyrazol-1-ylphenyl)benzimidazole-5-carboxamide;4-fluoro-3-nitrobenzoic acid;3-nitro-4-(4-pyrazol-1-ylanilino)benzoic acid;4-pyrazol-1-ylaniline;1-(4-pyrazol-1-ylphenyl)benzimidazole-5-carboxylic acid
CID 157103413
1,5-Dimethyl-7-propan-2-ylindole-2-carboxylic acid;3-methyl-5-(1-methyl-3-propan-2-ylindol-5-yl)-1,2,4-oxadiazole;1-methyl-5-(1-methylpyrazol-4-yl)-3-propan-2-ylindole;1-methyl-3-propan-2-ylindole-5-carboxamide;1-methyl-3-propan-2-yl-5-pyridin-2-ylindole;1-methyl-3-propan-2-yl-5-pyrimidin-2-ylindole;1-methyl-7-propan-2-yl-5-(pyrrolidin-1-ylmethyl)indole-2-carboxylic acid;1-[(3-methyl-2-pyridinyl)methyl]-7-propan-2-ylindole-2-carboxylic acid;1-(2-piperidin-1-ylethyl)-3-propan-2-ylindole-6-carboxamide
CID 157436362
1-(2,6-difluorophenyl)-3-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]urea;3,4-dinitrobenzoic acid;4-[(3,4-dinitrophenyl)methyl]morpholine;(3,4-dinitrophenyl)-morpholin-4-ylmethanone;4-(morpholin-4-ylmethyl)benzene-1,2-diamine;5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-amine;4-[[2-(4-nitro-1H-pyrazol-5-yl)-3H-benzimidazol-5-yl]methyl]morpholine
CID 157476368
7-ethyl-2-(2-fluoro-4-nitrophenyl)pyrazolo[1,5-a]pyrimidine-5-carboxylic acid;7-ethyl-2-(1H-indol-5-yl)pyrazolo[1,5-a]pyrimidine-5-carboxylic acid;7-ethyl-2-(1-methyl-2,3-dihydroindol-5-yl)pyrazolo[1,5-a]pyrimidine-5-carboxylic acid;7-ethyl-2-(1-methyl-2-oxo-3H-indol-5-yl)pyrazolo[1,5-a]pyrimidine-5-carboxylic acid;7-ethyl-2-(2-methylquinolin-6-yl)pyrazolo[1,5-a]pyrimidine-5-carboxylic acid;7-ethyl-2-(2-oxo-1,3-dihydroindol-5-yl)pyrazolo[1,5-a]pyrimidine-5-carboxylic acid;7-ethyl-2-quinolin-6-ylpyrazolo[1,5-a]pyrimidine-5-carboxylic acid
CID 157683855
7-ethyl-2-(2-fluoro-4-nitrophenyl)pyrazolo[1,5-a]pyrimidine-5-carboxylic acid;7-ethyl-2-[4-(hydroxymethyl)phenyl]pyrazolo[1,5-a]pyrimidine-5-carboxylic acid;7-ethyl-2-(1H-indol-5-yl)pyrazolo[1,5-a]pyrimidine-5-carboxylic acid;7-ethyl-2-(1-methyl-2,3-dihydroindol-5-yl)pyrazolo[1,5-a]pyrimidine-5-carboxylic acid;7-ethyl-2-(1-methyl-2-oxo-3H-indol-5-yl)pyrazolo[1,5-a]pyrimidine-5-carboxylic acid;7-ethyl-2-(2-oxo-1,3-dihydroindol-5-yl)pyrazolo[1,5-a]pyrimidine-5-carboxylic acid
CID 157882648

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-methyl-1H-indazole-3-carboxamide;1H-indazole-3-carboxylic acid;N-methyl-5-nitro-1H-indazole-3-carboxamide;N-methyl-5-[[1-[2-oxo-2-[4-(4-pyrimidin-2-ylphenyl)piperazin-1-yl]ethyl]pyrrolidine-3-carbonyl]amino]-1H-indazole-3-carboxamide;5-nitro-1H-indazole-3-carboxylic acid?
The IUPAC name of 5-amino-N-methyl-1H-indazole-3-carboxamide;1H-indazole-3-carboxylic acid;N-methyl-5-nitro-1H-indazole-3-carboxamide;N-methyl-5-[[1-[2-oxo-2-[4-(4-pyrimidin-2-ylphenyl)piperazin-1-yl]ethyl]pyrrolidine-3-carbonyl]amino]-1H-indazole-3-carboxamide;5-nitro-1H-indazole-3-carboxylic acid (CID 159937825) is 5-amino-N-methyl-1H-indazole-3-carboxamide;1H-indazole-3-carboxylic acid;N-methyl-5-nitro-1H-indazole-3-carboxamide;N-methyl-5-[[1-[2-oxo-2-[4-(4-pyrimidin-2-ylphenyl)piperazin-1-yl]ethyl]pyrrolidine-3-carbonyl]amino]-1H-indazole-3-carboxamide;5-nitro-1H-indazole-3-carboxylic acid.
What is the SMILES notation for 5-amino-N-methyl-1H-indazole-3-carboxamide;1H-indazole-3-carboxylic acid;N-methyl-5-nitro-1H-indazole-3-carboxamide;N-methyl-5-[[1-[2-oxo-2-[4-(4-pyrimidin-2-ylphenyl)piperazin-1-yl]ethyl]pyrrolidine-3-carbonyl]amino]-1H-indazole-3-carboxamide;5-nitro-1H-indazole-3-carboxylic acid?
The canonical SMILES for 5-amino-N-methyl-1H-indazole-3-carboxamide;1H-indazole-3-carboxylic acid;N-methyl-5-nitro-1H-indazole-3-carboxamide;N-methyl-5-[[1-[2-oxo-2-[4-(4-pyrimidin-2-ylphenyl)piperazin-1-yl]ethyl]pyrrolidine-3-carbonyl]amino]-1H-indazole-3-carboxamide;5-nitro-1H-indazole-3-carboxylic acid is CNC(=O)c1n[nH]c2ccc(N)cc12.CNC(=O)c1n[nH]c2ccc(NC(=O)C3CCN(CC(=O)N4CCN(c5ccc(-c6ncccn6)cc5)CC4)C3)cc12.CNC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc12.O=C(O)c1n[nH]c2ccc([N+](=O)[O-])cc12.O=C(O)c1n[nH]c2ccccc12.
What is the InChIKey of 5-amino-N-methyl-1H-indazole-3-carboxamide;1H-indazole-3-carboxylic acid;N-methyl-5-nitro-1H-indazole-3-carboxamide;N-methyl-5-[[1-[2-oxo-2-[4-(4-pyrimidin-2-ylphenyl)piperazin-1-yl]ethyl]pyrrolidine-3-carbonyl]amino]-1H-indazole-3-carboxamide;5-nitro-1H-indazole-3-carboxylic acid?
The InChIKey is OAMGFHZTOIHFOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H33N9O3.C9H8N4O3.C9H10N4O.C8H5N3O4.C8H6N2O2/c1-31-30(42)27-24-17-22(5-8-25(24)35-36-27)34-29(41)21-9-12-37(18-21)19-26(40)39-15-13-38(14-16-39)23-6-3-20(4-7-23)28-32-10-2-11-33-28;1-10-9(14)8-6-4-5(13(15)16)2-3-7(6)11-12-8;1-11-9(14)8-6-4-5(10)2-3-7(6)12-13-8;12-8(13)7-5-3-4(11(14)15)1-2-6(5)9-10-7;11-8(12)7-5-3-1-2-4-6(5)9-10-7/h2-8,10-11,17,21H,9,12-16,18-19H2,1H3,(H,31,42)(H,34,41)(H,35,36);2-4H,1H3,(H,10,14)(H,11,12);2-4H,10H2,1H3,(H,11,14)(H,12,13);1-3H,(H,9,10)(H,12,13);1-4H,(H,9,10)(H,11,12).
What are the key properties of 5-amino-N-methyl-1H-indazole-3-carboxamide;1H-indazole-3-carboxylic acid;N-methyl-5-nitro-1H-indazole-3-carboxamide;N-methyl-5-[[1-[2-oxo-2-[4-(4-pyrimidin-2-ylphenyl)piperazin-1-yl]ethyl]pyrrolidine-3-carbonyl]amino]-1H-indazole-3-carboxamide;5-nitro-1H-indazole-3-carboxylic acid?
5-amino-N-methyl-1H-indazole-3-carboxamide;1H-indazole-3-carboxylic acid;N-methyl-5-nitro-1H-indazole-3-carboxamide;N-methyl-5-[[1-[2-oxo-2-[4-(4-pyrimidin-2-ylphenyl)piperazin-1-yl]ethyl]pyrrolidine-3-carbonyl]amino]-1H-indazole-3-carboxamide;5-nitro-1H-indazole-3-carboxylic acid has a molecular weight of 1347.34 g/mol, XLogP of 5.75, 13 rotatable bonds, 12 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-methyl-1H-indazole-3-carboxamide;1H-indazole-3-carboxylic acid;N-methyl-5-nitro-1H-indazole-3-carboxamide;N-methyl-5-[[1-[2-oxo-2-[4-(4-pyrimidin-2-ylphenyl)piperazin-1-yl]ethyl]pyrrolidine-3-carbonyl]amino]-1H-indazole-3-carboxamide;5-nitro-1H-indazole-3-carboxylic acid is sourced from PubChem (CID 159937825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).