5-N-[(2S)-1-amino-1-oxopropan-2-yl]-3-N-phenyl-1H-indazole-3,5-dicarboxamide;6-fluoro-3-[(E)-2-(2-fluorophenyl)ethenyl]-1-methyl-5-nitroindazole;5-N-[(1S)-2-hydroxy-1-phenylethyl]-3-N-phenyl-1H-indazole-3,5-dicarboxamide;3-(phenylcarbamoyl)-1H-indazole-5-carboxylic acid

C72H59F2N15O11 — CID 159130226

IUPAC5-N-[(2S)-1-amino-1-oxopropan-2-yl]-3-N-phenyl-1H-indazole-3,5-dicarboxamide;6-fluoro-3-[(E)-2-(2-fluorophenyl)ethenyl]-1-methyl-5-nitroindazole;5-N-[(1S)-2-hydroxy-1-phenylethyl]-3-N-phenyl-1H-indazole-3,5-dicarboxamide;3-(phenylcarbamoyl)-1H-indazole-5-carboxylic acid
SMILESC[C@H](NC(=O)c1ccc2[nH]nc(C(=O)Nc3ccccc3)c2c1)C(N)=O.Cn1nc(/C=C/c2ccccc2F)c2cc([N+](=O)[O-])c(F)cc21.O=C(N[C@H](CO)c1ccccc1)c1ccc2[nH]nc(C(=O)Nc3ccccc3)c2c1.O=C(O)c1ccc2[nH]nc(C(=O)Nc3ccccc3)c2c1
InChIInChI=1S/C23H20N4O3.C18H17N5O3.C16H11F2N3O2.C15H11N3O3/c28-14-20(15-7-3-1-4-8-15)25-22(29)16-11-12-19-18(13-16)21(27-26-19)23(30)24-17-9-5-2-6-10-17;1-10(16(19)24)20-17(25)11-7-8-14-13(9-11)15(23-22-14)18(26)21-12-5-3-2-4-6-12;1-20-15-9-13(18)16(21(22)23)8-11(15)14(19-20)7-6-10-4-2-3-5-12(10)17;19-14(16-10-4-2-1-3-5-10)13-11-8-9(15(20)21)6-7-12(11)17-18-13/h1-13,20,28H,14H2,(H,24,30)(H,25,29)(H,26,27);2-10H,1H3,(H2,19,24)(H,20,25)(H,21,26)(H,22,23);2-9H,1H3;1-8H,(H,16,19)(H,17,18)(H,20,21)/b;;7-6+;/t20-;10-;;/m10../s1
InChIKeyKGUILFCQJWRKCV-IDUDTJBKSA-N
MW1348.35 g/mol
LogP11.14
Rot. Bonds17

About 5-N-[(2S)-1-amino-1-oxopropan-2-yl]-3-N-phenyl-1H-indazole-3,5-dicarboxamide;6-fluoro-3-[(E)-2-(2-fluorophenyl)ethenyl]-1-methyl-5-nitroindazole;5-N-[(1S)-2-hydroxy-1-phenylethyl]-3-N-phenyl-1H-indazole-3,5-dicarboxamide;3-(phenylcarbamoyl)-1H-indazole-5-carboxylic acid

5-N-[(2S)-1-amino-1-oxopropan-2-yl]-3-N-phenyl-1H-indazole-3,5-dicarboxamide;6-fluoro-3-[(E)-2-(2-fluorophenyl)ethenyl]-1-methyl-5-nitroindazole;5-N-[(1S)-2-hydroxy-1-phenylethyl]-3-N-phenyl-1H-indazole-3,5-dicarboxamide;3-(phenylcarbamoyl)-1H-indazole-5-carboxylic acid (PubChem CID 159130226) has the molecular formula C72H59F2N15O11 and a molecular weight of 1348.35 g/mol. Its IUPAC name is 5-N-[(2S)-1-amino-1-oxopropan-2-yl]-3-N-phenyl-1H-indazole-3,5-dicarboxamide;6-fluoro-3-[(E)-2-(2-fluorophenyl)ethenyl]-1-methyl-5-nitroindazole;5-N-[(1S)-2-hydroxy-1-phenylethyl]-3-N-phenyl-1H-indazole-3,5-dicarboxamide;3-(phenylcarbamoyl)-1H-indazole-5-carboxylic acid.

Molecular Properties

Compound Name5-N-[(2S)-1-amino-1-oxopropan-2-yl]-3-N-phenyl-1H-indazole-3,5-dicarboxamide;6-fluoro-3-[(E)-2-(2-fluorophenyl)ethenyl]-1-methyl-5-nitroindazole;5-N-[(1S)-2-hydroxy-1-phenylethyl]-3-N-phenyl-1H-indazole-3,5-dicarboxamide;3-(phenylcarbamoyl)-1H-indazole-5-carboxylic acid
PubChem CID159130226
Molecular FormulaC72H59F2N15O11
Molecular Weight1348.35 g/mol
Exact Mass1347.45
IUPAC Name5-N-[(2S)-1-amino-1-oxopropan-2-yl]-3-N-phenyl-1H-indazole-3,5-dicarboxamide;6-fluoro-3-[(E)-2-(2-fluorophenyl)ethenyl]-1-methyl-5-nitroindazole;5-N-[(1S)-2-hydroxy-1-phenylethyl]-3-N-phenyl-1H-indazole-3,5-dicarboxamide;3-(phenylcarbamoyl)-1H-indazole-5-carboxylic acid
SMILESC[C@H](NC(=O)c1ccc2[nH]nc(C(=O)Nc3ccccc3)c2c1)C(N)=O.Cn1nc(/C=C/c2ccccc2F)c2cc([N+](=O)[O-])c(F)cc21.O=C(N[C@H](CO)c1ccccc1)c1ccc2[nH]nc(C(=O)Nc3ccccc3)c2c1.O=C(O)c1ccc2[nH]nc(C(=O)Nc3ccccc3)c2c1
InChIInChI=1S/C23H20N4O3.C18H17N5O3.C16H11F2N3O2.C15H11N3O3/c28-14-20(15-7-3-1-4-8-15)25-22(29)16-11-12-19-18(13-16)21(27-26-19)23(30)24-17-9-5-2-6-10-17;1-10(16(19)24)20-17(25)11-7-8-14-13(9-11)15(23-22-14)18(26)21-12-5-3-2-4-6-12;1-20-15-9-13(18)16(21(22)23)8-11(15)14(19-20)7-6-10-4-2-3-5-12(10)17;19-14(16-10-4-2-1-3-5-10)13-11-8-9(15(20)21)6-7-12(11)17-18-13/h1-13,20,28H,14H2,(H,24,30)(H,25,29)(H,26,27);2-10H,1H3,(H2,19,24)(H,20,25)(H,21,26)(H,22,23);2-9H,1H3;1-8H,(H,16,19)(H,17,18)(H,20,21)/b;;7-6+;/t20-;10-;;/m10../s1
InChIKeyKGUILFCQJWRKCV-IDUDTJBKSA-N
XLogP11.14
TPSA393.12 Ų
H-Bond Donors11
H-Bond Acceptors15
Rotatable Bonds17
Heavy Atoms100
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001348.35
LogP ≤ 511.14
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1015

Computed Properties (RDKit)

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

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Related Compounds

ethyl 6-[4-[[4-nitro-3-(trifluoromethyl)benzoyl]amino]phenyl]-1H-indazole-3-carboxylate;1-ethyl-6-[4-[[4-nitro-3-(trifluoromethyl)benzoyl]amino]phenyl]indazole-3-carboxylic acid
CID 159618007
4-[3-[4-(3-Aminopropylcarbamoyl)phenyl]-5-nitroindazol-1-yl]benzoic acid;4-[3-[4-[3-(methylamino)propylcarbamoyl]phenyl]-5-nitroindazol-1-yl]benzoic acid;[4-[1-[4-(piperazine-1-carbonyl)phenyl]indazol-3-yl]phenyl]-piperazin-1-ylmethanone
CID 91271102
4-[3-(4-Carbamoylphenyl)-5-nitroindazol-1-yl]benzoic acid;4-[3-[4-[3-(methylamino)propylcarbamoyl]phenyl]indazol-1-yl]benzoic acid
CID 91430571
N-[(2S)-1-amino-1-oxopropan-2-yl]-6-fluoro-3-[(E)-2-naphthalen-2-ylethenyl]-1H-indazole-5-carboxamide;tert-butyl N-[6-fluoro-1-methyl-3-[(E)-2-naphthalen-2-ylethenyl]indazol-5-yl]carbamate;6-fluoro-1-methyl-3-[(E)-2-naphthalen-2-ylethenyl]indazole-5-carboxylic acid;6-fluoro-3-[(E)-2-naphthalen-2-ylethenyl]-1H-indazol-5-amine;N-[6-fluoro-3-[(E)-2-naphthalen-2-ylethenyl]-1H-indazol-5-yl]cyclopropanecarboxamide
CID 157606767
5-amino-N-methyl-1H-indazole-3-carboxamide;1H-indazole-3-carboxylic acid;N-methyl-5-nitro-1H-indazole-3-carboxamide;5-nitro-1H-indazole-3-carboxylic acid
CID 157740196
3-(1-anilinoethenyl)-1H-indazole-5-carboxylic acid;[3-(1-anilinoethenyl)-1H-indazol-5-yl]-piperidin-1-ylmethanone;[3-[1-(4-fluoroanilino)ethenyl]-1H-indazol-5-yl]-piperidin-1-ylmethanone;5-nitro-1H-indazol-3-amine
CID 158167655
4-[3-[4-(3-Aminopropylcarbamoyl)phenyl]-5-nitroindazol-1-yl]benzoic acid;4-[3-[4-(3-hydroxypropylcarbamoyl)phenyl]indazol-1-yl]benzoic acid;4-[3-[4-(3-hydroxypropylcarbamoyl)phenyl]-5-nitroindazol-1-yl]benzoic acid;bis(4-[3-[4-[3-(methylamino)propylcarbamoyl]phenyl]-5-nitroindazol-1-yl]benzoic acid);[4-[1-[4-(piperazine-1-carbonyl)phenyl]indazol-3-yl]phenyl]-piperazin-1-ylmethanone
CID 158508667
4-[3-[4-(3-Hydroxypropylcarbamoyl)phenyl]indazol-1-yl]benzoic acid;4-[3-[4-(3-hydroxypropylcarbamoyl)phenyl]-5-nitroindazol-1-yl]benzoic acid
CID 158509162
6-fluoro-3-[(E)-2-(2-fluorophenyl)ethenyl]-1-methylindazol-5-amine;6-fluoro-3-[(E)-2-(3-fluorophenyl)ethenyl]-1-methylindazol-5-amine;6-fluoro-3-[(E)-2-(2-fluorophenyl)ethenyl]-1-methyl-5-nitroindazole;6-fluoro-3-[(E)-2-(3-fluorophenyl)ethenyl]-1-methyl-5-nitroindazole;3-(phenylcarbamoyl)-1H-indazole-5-carboxylic acid
CID 158770405
N-[(2S)-1-amino-1-oxopropan-2-yl]-6-fluoro-3-[(E)-2-(3-fluorophenyl)ethenyl]-1H-indazole-5-carboxamide;tert-butyl N-[6-fluoro-3-[(E)-2-(3-fluorophenyl)ethenyl]-1-methylindazol-5-yl]carbamate;6-fluoro-3-[(E)-2-(3-fluorophenyl)ethenyl]-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-1H-indazole-5-carboxamide;6-fluoro-3-[(E)-2-(3-fluorophenyl)ethenyl]-1-methylindazole-5-carboxylic acid;6-fluoro-3-[(E)-2-(3-fluorophenyl)ethenyl]-N-(pyridin-3-ylmethyl)-1H-indazole-5-carboxamide
CID 159200477
4-[3-[4-(3-Hydroxypropylcarbamoyl)phenyl]indazol-1-yl]benzoic acid;4-[3-[4-(3-hydroxypropylcarbamoyl)phenyl]-5-nitroindazol-1-yl]benzoic acid;4-[3-[4-[3-(methylamino)propylcarbamoyl]phenyl]-5-nitroindazol-1-yl]benzoic acid
CID 159761996
N-[(2S)-1-amino-1-oxopropan-2-yl]-4-fluoro-3-[(E)-2-(3-fluorophenyl)ethenyl]-1H-indazole-5-carboxamide;4-fluoro-3-[(E)-2-(3-fluorophenyl)ethenyl]-N-[(2S)-1-(2-methoxyethylamino)-1-oxopropan-2-yl]-1H-indazole-5-carboxamide;4-fluoro-3-[(E)-2-(3-fluorophenyl)ethenyl]-1-methylindazol-5-amine;4-fluoro-3-[(E)-2-(3-fluorophenyl)ethenyl]-1-methylindazole-5-carboxylic acid
CID 160101829

Frequently Asked Questions

What is the IUPAC name of 5-N-[(2S)-1-amino-1-oxopropan-2-yl]-3-N-phenyl-1H-indazole-3,5-dicarboxamide;6-fluoro-3-[(E)-2-(2-fluorophenyl)ethenyl]-1-methyl-5-nitroindazole;5-N-[(1S)-2-hydroxy-1-phenylethyl]-3-N-phenyl-1H-indazole-3,5-dicarboxamide;3-(phenylcarbamoyl)-1H-indazole-5-carboxylic acid?
The IUPAC name of 5-N-[(2S)-1-amino-1-oxopropan-2-yl]-3-N-phenyl-1H-indazole-3,5-dicarboxamide;6-fluoro-3-[(E)-2-(2-fluorophenyl)ethenyl]-1-methyl-5-nitroindazole;5-N-[(1S)-2-hydroxy-1-phenylethyl]-3-N-phenyl-1H-indazole-3,5-dicarboxamide;3-(phenylcarbamoyl)-1H-indazole-5-carboxylic acid (CID 159130226) is 5-N-[(2S)-1-amino-1-oxopropan-2-yl]-3-N-phenyl-1H-indazole-3,5-dicarboxamide;6-fluoro-3-[(E)-2-(2-fluorophenyl)ethenyl]-1-methyl-5-nitroindazole;5-N-[(1S)-2-hydroxy-1-phenylethyl]-3-N-phenyl-1H-indazole-3,5-dicarboxamide;3-(phenylcarbamoyl)-1H-indazole-5-carboxylic acid.
What is the SMILES notation for 5-N-[(2S)-1-amino-1-oxopropan-2-yl]-3-N-phenyl-1H-indazole-3,5-dicarboxamide;6-fluoro-3-[(E)-2-(2-fluorophenyl)ethenyl]-1-methyl-5-nitroindazole;5-N-[(1S)-2-hydroxy-1-phenylethyl]-3-N-phenyl-1H-indazole-3,5-dicarboxamide;3-(phenylcarbamoyl)-1H-indazole-5-carboxylic acid?
The canonical SMILES for 5-N-[(2S)-1-amino-1-oxopropan-2-yl]-3-N-phenyl-1H-indazole-3,5-dicarboxamide;6-fluoro-3-[(E)-2-(2-fluorophenyl)ethenyl]-1-methyl-5-nitroindazole;5-N-[(1S)-2-hydroxy-1-phenylethyl]-3-N-phenyl-1H-indazole-3,5-dicarboxamide;3-(phenylcarbamoyl)-1H-indazole-5-carboxylic acid is C[C@H](NC(=O)c1ccc2[nH]nc(C(=O)Nc3ccccc3)c2c1)C(N)=O.Cn1nc(/C=C/c2ccccc2F)c2cc([N+](=O)[O-])c(F)cc21.O=C(N[C@H](CO)c1ccccc1)c1ccc2[nH]nc(C(=O)Nc3ccccc3)c2c1.O=C(O)c1ccc2[nH]nc(C(=O)Nc3ccccc3)c2c1.
What is the InChIKey of 5-N-[(2S)-1-amino-1-oxopropan-2-yl]-3-N-phenyl-1H-indazole-3,5-dicarboxamide;6-fluoro-3-[(E)-2-(2-fluorophenyl)ethenyl]-1-methyl-5-nitroindazole;5-N-[(1S)-2-hydroxy-1-phenylethyl]-3-N-phenyl-1H-indazole-3,5-dicarboxamide;3-(phenylcarbamoyl)-1H-indazole-5-carboxylic acid?
The InChIKey is KGUILFCQJWRKCV-IDUDTJBKSA-N. The full InChI is InChI=1S/C23H20N4O3.C18H17N5O3.C16H11F2N3O2.C15H11N3O3/c28-14-20(15-7-3-1-4-8-15)25-22(29)16-11-12-19-18(13-16)21(27-26-19)23(30)24-17-9-5-2-6-10-17;1-10(16(19)24)20-17(25)11-7-8-14-13(9-11)15(23-22-14)18(26)21-12-5-3-2-4-6-12;1-20-15-9-13(18)16(21(22)23)8-11(15)14(19-20)7-6-10-4-2-3-5-12(10)17;19-14(16-10-4-2-1-3-5-10)13-11-8-9(15(20)21)6-7-12(11)17-18-13/h1-13,20,28H,14H2,(H,24,30)(H,25,29)(H,26,27);2-10H,1H3,(H2,19,24)(H,20,25)(H,21,26)(H,22,23);2-9H,1H3;1-8H,(H,16,19)(H,17,18)(H,20,21)/b;;7-6+;/t20-;10-;;/m10../s1.
What are the key properties of 5-N-[(2S)-1-amino-1-oxopropan-2-yl]-3-N-phenyl-1H-indazole-3,5-dicarboxamide;6-fluoro-3-[(E)-2-(2-fluorophenyl)ethenyl]-1-methyl-5-nitroindazole;5-N-[(1S)-2-hydroxy-1-phenylethyl]-3-N-phenyl-1H-indazole-3,5-dicarboxamide;3-(phenylcarbamoyl)-1H-indazole-5-carboxylic acid?
5-N-[(2S)-1-amino-1-oxopropan-2-yl]-3-N-phenyl-1H-indazole-3,5-dicarboxamide;6-fluoro-3-[(E)-2-(2-fluorophenyl)ethenyl]-1-methyl-5-nitroindazole;5-N-[(1S)-2-hydroxy-1-phenylethyl]-3-N-phenyl-1H-indazole-3,5-dicarboxamide;3-(phenylcarbamoyl)-1H-indazole-5-carboxylic acid has a molecular weight of 1348.35 g/mol, XLogP of 11.14, 17 rotatable bonds, 11 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-[(2S)-1-amino-1-oxopropan-2-yl]-3-N-phenyl-1H-indazole-3,5-dicarboxamide;6-fluoro-3-[(E)-2-(2-fluorophenyl)ethenyl]-1-methyl-5-nitroindazole;5-N-[(1S)-2-hydroxy-1-phenylethyl]-3-N-phenyl-1H-indazole-3,5-dicarboxamide;3-(phenylcarbamoyl)-1H-indazole-5-carboxylic acid is sourced from PubChem (CID 159130226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).