N-[(2S)-1-amino-1-oxopropan-2-yl]-3-[(E)-2-(2-fluorophenyl)ethenyl]-4-methoxy-2H-indazole-5-carboxamide;ethyl 3-iodo-4-methoxy-2H-indazole-5-carboxylate;ethyl 3-iodo-4-methoxy-1-methylindazole-5-carboxylate;ethyl 4-methoxy-2H-indazole-5-carboxylate;3-[(E)-2-(2-fluorophenyl)ethenyl]-N-[(1S)-2-hydroxy-1-phenylethyl]-4-methoxy-2H-indazole-5-carboxamide;4-methoxy-2H-indazole-5-carboxamide;4-methoxy-2H-indazole-5-carboxylic acid

C97H94F2I2N18O20 — CID 158476617

IUPACN-[(2S)-1-amino-1-oxopropan-2-yl]-3-[(E)-2-(2-fluorophenyl)ethenyl]-4-methoxy-2H-indazole-5-carboxamide;ethyl 3-iodo-4-methoxy-2H-indazole-5-carboxylate;ethyl 3-iodo-4-methoxy-1-methylindazole-5-carboxylate;ethyl 4-methoxy-2H-indazole-5-carboxylate;3-[(E)-2-(2-fluorophenyl)ethenyl]-N-[(1S)-2-hydroxy-1-phenylethyl]-4-methoxy-2H-indazole-5-carboxamide;4-methoxy-2H-indazole-5-carboxamide;4-methoxy-2H-indazole-5-carboxylic acid
SMILESCCOC(=O)c1ccc2c(c(I)nn2C)c1OC.CCOC(=O)c1ccc2n[nH]c(I)c2c1OC.CCOC(=O)c1ccc2n[nH]cc2c1OC.COc1c(C(=O)N[C@@H](C)C(N)=O)ccc2n[nH]c(/C=C/c3ccccc3F)c12.COc1c(C(=O)N[C@H](CO)c2ccccc2)ccc2n[nH]c(/C=C/c3ccccc3F)c12.COc1c(C(=O)O)ccc2n[nH]cc12.COc1c(C(N)=O)ccc2n[nH]cc12
InChIInChI=1S/C25H22FN3O3.C20H19FN4O3.C12H13IN2O3.C11H11IN2O3.C11H12N2O3.C9H9N3O2.C9H8N2O3/c1-32-24-18(25(31)27-22(15-30)17-8-3-2-4-9-17)12-14-21-23(24)20(28-29-21)13-11-16-7-5-6-10-19(16)26;1-11(19(22)26)23-20(27)13-8-10-16-17(18(13)28-2)15(24-25-16)9-7-12-5-3-4-6-14(12)21;1-4-18-12(16)7-5-6-8-9(10(7)17-3)11(13)14-15(8)2;1-3-17-11(15)6-4-5-7-8(9(6)16-2)10(12)14-13-7;1-3-16-11(14)7-4-5-9-8(6-12-13-9)10(7)15-2;1-14-8-5(9(10)13)2-3-7-6(8)4-11-12-7;1-14-8-5(9(12)13)2-3-7-6(8)4-10-11-7/h2-14,22,30H,15H2,1H3,(H,27,31)(H,28,29);3-11H,1-2H3,(H2,22,26)(H,23,27)(H,24,25);5-6H,4H2,1-3H3;4-5H,3H2,1-2H3,(H,13,14);4-6H,3H2,1-2H3,(H,12,13);2-4H,1H3,(H2,10,13)(H,11,12);2-4H,1H3,(H,10,11)(H,12,13)/b13-11+;9-7+;;;;;/t22-;11-;;;;;/m10...../s1
InChIKeyHHABOUPIAFUSLU-NJCPVYHLSA-N
MW2123.73 g/mol
LogP15.23
Rot. Bonds26

About N-[(2S)-1-amino-1-oxopropan-2-yl]-3-[(E)-2-(2-fluorophenyl)ethenyl]-4-methoxy-2H-indazole-5-carboxamide;ethyl 3-iodo-4-methoxy-2H-indazole-5-carboxylate;ethyl 3-iodo-4-methoxy-1-methylindazole-5-carboxylate;ethyl 4-methoxy-2H-indazole-5-carboxylate;3-[(E)-2-(2-fluorophenyl)ethenyl]-N-[(1S)-2-hydroxy-1-phenylethyl]-4-methoxy-2H-indazole-5-carboxamide;4-methoxy-2H-indazole-5-carboxamide;4-methoxy-2H-indazole-5-carboxylic acid

N-[(2S)-1-amino-1-oxopropan-2-yl]-3-[(E)-2-(2-fluorophenyl)ethenyl]-4-methoxy-2H-indazole-5-carboxamide;ethyl 3-iodo-4-methoxy-2H-indazole-5-carboxylate;ethyl 3-iodo-4-methoxy-1-methylindazole-5-carboxylate;ethyl 4-methoxy-2H-indazole-5-carboxylate;3-[(E)-2-(2-fluorophenyl)ethenyl]-N-[(1S)-2-hydroxy-1-phenylethyl]-4-methoxy-2H-indazole-5-carboxamide;4-methoxy-2H-indazole-5-carboxamide;4-methoxy-2H-indazole-5-carboxylic acid (PubChem CID 158476617) has the molecular formula C97H94F2I2N18O20 and a molecular weight of 2123.73 g/mol. Its IUPAC name is N-[(2S)-1-amino-1-oxopropan-2-yl]-3-[(E)-2-(2-fluorophenyl)ethenyl]-4-methoxy-2H-indazole-5-carboxamide;ethyl 3-iodo-4-methoxy-2H-indazole-5-carboxylate;ethyl 3-iodo-4-methoxy-1-methylindazole-5-carboxylate;ethyl 4-methoxy-2H-indazole-5-carboxylate;3-[(E)-2-(2-fluorophenyl)ethenyl]-N-[(1S)-2-hydroxy-1-phenylethyl]-4-methoxy-2H-indazole-5-carboxamide;4-methoxy-2H-indazole-5-carboxamide;4-methoxy-2H-indazole-5-carboxylic acid.

Molecular Properties

Compound NameN-[(2S)-1-amino-1-oxopropan-2-yl]-3-[(E)-2-(2-fluorophenyl)ethenyl]-4-methoxy-2H-indazole-5-carboxamide;ethyl 3-iodo-4-methoxy-2H-indazole-5-carboxylate;ethyl 3-iodo-4-methoxy-1-methylindazole-5-carboxylate;ethyl 4-methoxy-2H-indazole-5-carboxylate;3-[(E)-2-(2-fluorophenyl)ethenyl]-N-[(1S)-2-hydroxy-1-phenylethyl]-4-methoxy-2H-indazole-5-carboxamide;4-methoxy-2H-indazole-5-carboxamide;4-methoxy-2H-indazole-5-carboxylic acid
PubChem CID158476617
Molecular FormulaC97H94F2I2N18O20
Molecular Weight2123.73 g/mol
Exact Mass2122.49
IUPAC NameN-[(2S)-1-amino-1-oxopropan-2-yl]-3-[(E)-2-(2-fluorophenyl)ethenyl]-4-methoxy-2H-indazole-5-carboxamide;ethyl 3-iodo-4-methoxy-2H-indazole-5-carboxylate;ethyl 3-iodo-4-methoxy-1-methylindazole-5-carboxylate;ethyl 4-methoxy-2H-indazole-5-carboxylate;3-[(E)-2-(2-fluorophenyl)ethenyl]-N-[(1S)-2-hydroxy-1-phenylethyl]-4-methoxy-2H-indazole-5-carboxamide;4-methoxy-2H-indazole-5-carboxamide;4-methoxy-2H-indazole-5-carboxylic acid
SMILESCCOC(=O)c1ccc2c(c(I)nn2C)c1OC.CCOC(=O)c1ccc2n[nH]c(I)c2c1OC.CCOC(=O)c1ccc2n[nH]cc2c1OC.COc1c(C(=O)N[C@@H](C)C(N)=O)ccc2n[nH]c(/C=C/c3ccccc3F)c12.COc1c(C(=O)N[C@H](CO)c2ccccc2)ccc2n[nH]c(/C=C/c3ccccc3F)c12.COc1c(C(=O)O)ccc2n[nH]cc12.COc1c(C(N)=O)ccc2n[nH]cc12
InChIInChI=1S/C25H22FN3O3.C20H19FN4O3.C12H13IN2O3.C11H11IN2O3.C11H12N2O3.C9H9N3O2.C9H8N2O3/c1-32-24-18(25(31)27-22(15-30)17-8-3-2-4-9-17)12-14-21-23(24)20(28-29-21)13-11-16-7-5-6-10-19(16)26;1-11(19(22)26)23-20(27)13-8-10-16-17(18(13)28-2)15(24-25-16)9-7-12-5-3-4-6-14(12)21;1-4-18-12(16)7-5-6-8-9(10(7)17-3)11(13)14-15(8)2;1-3-17-11(15)6-4-5-7-8(9(6)16-2)10(12)14-13-7;1-3-16-11(14)7-4-5-9-8(6-12-13-9)10(7)15-2;1-14-8-5(9(10)13)2-3-7-6(8)4-11-12-7;1-14-8-5(9(12)13)2-3-7-6(8)4-10-11-7/h2-14,22,30H,15H2,1H3,(H,27,31)(H,28,29);3-11H,1-2H3,(H2,22,26)(H,23,27)(H,24,25);5-6H,4H2,1-3H3;4-5H,3H2,1-2H3,(H,13,14);4-6H,3H2,1-2H3,(H,12,13);2-4H,1H3,(H2,10,13)(H,11,12);2-4H,1H3,(H,10,11)(H,12,13)/b13-11+;9-7+;;;;;/t22-;11-;;;;;/m10...../s1
InChIKeyHHABOUPIAFUSLU-NJCPVYHLSA-N
XLogP15.23
TPSA535.32 Ų
H-Bond Donors12
H-Bond Acceptors27
Rotatable Bonds26
Heavy Atoms139
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002123.73
LogP ≤ 515.23
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1027

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

Analyze N-[(2S)-1-amino-1-oxopropan-2-yl]-3-[(E)-2-(2-fluorophenyl)ethenyl]-4-methoxy-2H-indazole-5-carboxamide;ethyl 3-iodo-4-methoxy-2H-indazole-5-carboxylate;ethyl 3-iodo-4-methoxy-1-methylindazole-5-carboxylate;ethyl 4-methoxy-2H-indazole-5-carboxylate;3-[(E)-2-(2-fluorophenyl)ethenyl]-N-[(1S)-2-hydroxy-1-phenylethyl]-4-methoxy-2H-indazole-5-carboxamide;4-methoxy-2H-indazole-5-carboxamide;4-methoxy-2H-indazole-5-carboxylic acid with MolForge

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Related Compounds

N-cyclopropyl-3-ethenyl-4-methoxy-1-methylindazole-5-carboxamide;3-ethenyl-4-methoxy-1-methylindazole-5-carboxylic acid;ethyl 3-ethenyl-4-methoxy-1-methylindazole-5-carboxylate;[5-[(E)-2-(5-isocyano-4-methoxy-1H-indazol-3-yl)ethenyl]-3-pyridinyl]methanol;5-isocyano-4-methoxy-3-[(E)-2-[2-(trifluoromethyl)phenyl]ethenyl]-2H-indazole
CID 159518786
N-cyclopropyl-3-ethenyl-4-methoxy-1-methylindazole-5-carboxamide;3-ethenyl-N-[(1S)-2-hydroxy-1-phenylethyl]-4-methoxy-1-methylindazole-5-carboxamide;3-ethenyl-4-methoxy-1-methylindazole-5-carboxylic acid;ethyl 3-ethenyl-4-methoxy-1-methylindazole-5-carboxylate;[5-[(E)-2-(5-isocyano-4-methoxy-1H-indazol-3-yl)ethenyl]-3-pyridinyl]methanol;5-isocyano-4-methoxy-3-[(E)-2-[2-(trifluoromethyl)phenyl]ethenyl]-2H-indazole
CID 160558454
3-ethenyl-4-methoxy-1-methylindazole-5-carboxylic acid;ethyl 3-ethenyl-4-methoxy-1-methylindazole-5-carboxylate;[5-[(E)-2-(5-isocyano-4-methoxy-1H-indazol-3-yl)ethenyl]-3-pyridinyl]methanol;5-isocyano-4-methoxy-3-[(E)-2-[2-(trifluoromethyl)phenyl]ethenyl]-2H-indazole;5-isocyano-4-methoxy-3-[(E)-2-[3-(trifluoromethyl)phenyl]ethenyl]-1H-indazole;5-isocyano-4-methoxy-3-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-1H-indazole
CID 161417873
3-[(E)-2-(4-fluorophenyl)ethenyl]-N-[(1R,2R)-2-hydroxycyclopentyl]-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-N-[1-(morpholine-4-carbonyl)cyclopropyl]-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-N-[1-(piperidine-1-carbonyl)cyclopropyl]-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-N-[1-(pyrrolidine-1-carbonyl)cyclopropyl]-2H-indazole-5-carboxamide
CID 157049923
N-cyclopropyl-4-methoxy-3-[(E)-2-(6-oxo-1H-pyridin-2-yl)ethenyl]-2H-indazole-5-carboxamide;N-(furan-2-ylmethyl)-4-methoxy-3-[(E)-2-(6-oxo-1H-pyridin-2-yl)ethenyl]-2H-indazole-5-carboxamide;N-(1-hydroxy-3-methylbutan-2-yl)-4-methoxy-3-[(E)-2-pyridin-2-ylethenyl]-2H-indazole-5-carboxamide;4-methoxy-3-[(E)-2-(6-oxo-1H-pyridin-2-yl)ethenyl]-2H-indazole-5-carboxylic acid;methyl 4-methoxy-3-[(E)-2-(6-oxo-1H-pyridin-2-yl)ethenyl]-2H-indazole-5-carboxylate
CID 157157765
3-[(E)-2-(4-fluorophenyl)ethenyl]-N-(3-hydroxy-3-methylbutyl)-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-N-[(2S)-2-hydroxy-2-phenylethyl]-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-N-[(2R)-2-hydroxy-2-phenylethyl]-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-N-[(2S)-2-hydroxypropyl]-4-methoxy-2H-indazole-5-carboxamide
CID 157162028
N-benzyl-3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-N-(2-pyridin-2-ylethyl)-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-N-(2-pyridin-3-ylethyl)-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-N-(2-pyridin-4-ylethyl)-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-N-(pyridin-4-ylmethyl)-2H-indazole-5-carboxamide
CID 157255865
N-[2-(benzylamino)-2-oxoethyl]-3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-2H-indazole-5-carboxamide;N-[2-(cyclohexylmethylamino)-2-oxoethyl]-3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-N-(2-oxo-2-piperidin-1-ylethyl)-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-N-(2-oxo-2-pyrrolidin-1-ylethyl)-2H-indazole-5-carboxamide
CID 157301132
N-(cyclopropylmethyl)-3-[(E)-2-(3-fluoro-4-methoxyphenyl)ethenyl]-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(3-fluoro-4-methoxyphenyl)ethenyl]-N-(furan-2-ylmethyl)-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(3-fluoro-4-methoxyphenyl)ethenyl]-4-methoxy-2H-indazole-5-carboxylic acid;3-[(E)-2-(3-fluoro-4-methoxyphenyl)ethenyl]-4-methoxy-N-(pyrazin-2-ylmethyl)-2H-indazole-5-carboxamide
CID 157377219
4-(3-amino-3-oxopropoxy)-N-cyclopropyl-3-[(E)-2-(4-fluorophenyl)ethenyl]-2H-indazole-5-carboxamide;4-(3-amino-3-oxopropoxy)-3-[(E)-2-(4-fluorophenyl)ethenyl]-N-(furan-2-ylmethyl)-2H-indazole-5-carboxamide;4-(3-amino-3-oxopropoxy)-3-[(E)-2-(4-fluorophenyl)ethenyl]-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-2H-indazole-5-carboxamide;4-(3-amino-3-oxopropoxy)-3-[(E)-2-(4-fluorophenyl)ethenyl]-N-[(1S)-2-hydroxy-1-phenylethyl]-2H-indazole-5-carboxamide
CID 157436271
N-[(2S)-1-amino-1-oxopropan-2-yl]-4-methoxy-3-[(E)-2-(4-methylphenyl)ethenyl]-2H-indazole-5-carboxamide;N-cyclopropyl-4-methoxy-3-[(E)-2-(4-methylphenyl)ethenyl]-2H-indazole-5-carboxamide;N-(furan-2-ylmethyl)-4-methoxy-3-[(E)-2-(4-methylphenyl)ethenyl]-2H-indazole-5-carboxamide;N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-4-methoxy-3-[(E)-2-(4-methylphenyl)ethenyl]-2H-indazole-5-carboxamide;N-[(1S)-2-hydroxy-1-phenylethyl]-4-methoxy-3-[(E)-2-(4-methylphenyl)ethenyl]-2H-indazole-5-carboxamide
CID 157446583
N-[(1S)-2-(cyclopropylamino)-2-oxo-1-phenylethyl]-3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-3H-indazole-5-carboxamide;N-[(1S)-2-(dimethylamino)-2-oxo-1-phenylethyl]-3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-N-methyl-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-N-methyl-4-(2-morpholin-4-ylethoxy)-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-4-(2-morpholin-4-ylethoxy)-2H-indazole-5-carboxamide
CID 157481783

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-amino-1-oxopropan-2-yl]-3-[(E)-2-(2-fluorophenyl)ethenyl]-4-methoxy-2H-indazole-5-carboxamide;ethyl 3-iodo-4-methoxy-2H-indazole-5-carboxylate;ethyl 3-iodo-4-methoxy-1-methylindazole-5-carboxylate;ethyl 4-methoxy-2H-indazole-5-carboxylate;3-[(E)-2-(2-fluorophenyl)ethenyl]-N-[(1S)-2-hydroxy-1-phenylethyl]-4-methoxy-2H-indazole-5-carboxamide;4-methoxy-2H-indazole-5-carboxamide;4-methoxy-2H-indazole-5-carboxylic acid?
The IUPAC name of N-[(2S)-1-amino-1-oxopropan-2-yl]-3-[(E)-2-(2-fluorophenyl)ethenyl]-4-methoxy-2H-indazole-5-carboxamide;ethyl 3-iodo-4-methoxy-2H-indazole-5-carboxylate;ethyl 3-iodo-4-methoxy-1-methylindazole-5-carboxylate;ethyl 4-methoxy-2H-indazole-5-carboxylate;3-[(E)-2-(2-fluorophenyl)ethenyl]-N-[(1S)-2-hydroxy-1-phenylethyl]-4-methoxy-2H-indazole-5-carboxamide;4-methoxy-2H-indazole-5-carboxamide;4-methoxy-2H-indazole-5-carboxylic acid (CID 158476617) is N-[(2S)-1-amino-1-oxopropan-2-yl]-3-[(E)-2-(2-fluorophenyl)ethenyl]-4-methoxy-2H-indazole-5-carboxamide;ethyl 3-iodo-4-methoxy-2H-indazole-5-carboxylate;ethyl 3-iodo-4-methoxy-1-methylindazole-5-carboxylate;ethyl 4-methoxy-2H-indazole-5-carboxylate;3-[(E)-2-(2-fluorophenyl)ethenyl]-N-[(1S)-2-hydroxy-1-phenylethyl]-4-methoxy-2H-indazole-5-carboxamide;4-methoxy-2H-indazole-5-carboxamide;4-methoxy-2H-indazole-5-carboxylic acid.
What is the SMILES notation for N-[(2S)-1-amino-1-oxopropan-2-yl]-3-[(E)-2-(2-fluorophenyl)ethenyl]-4-methoxy-2H-indazole-5-carboxamide;ethyl 3-iodo-4-methoxy-2H-indazole-5-carboxylate;ethyl 3-iodo-4-methoxy-1-methylindazole-5-carboxylate;ethyl 4-methoxy-2H-indazole-5-carboxylate;3-[(E)-2-(2-fluorophenyl)ethenyl]-N-[(1S)-2-hydroxy-1-phenylethyl]-4-methoxy-2H-indazole-5-carboxamide;4-methoxy-2H-indazole-5-carboxamide;4-methoxy-2H-indazole-5-carboxylic acid?
The canonical SMILES for N-[(2S)-1-amino-1-oxopropan-2-yl]-3-[(E)-2-(2-fluorophenyl)ethenyl]-4-methoxy-2H-indazole-5-carboxamide;ethyl 3-iodo-4-methoxy-2H-indazole-5-carboxylate;ethyl 3-iodo-4-methoxy-1-methylindazole-5-carboxylate;ethyl 4-methoxy-2H-indazole-5-carboxylate;3-[(E)-2-(2-fluorophenyl)ethenyl]-N-[(1S)-2-hydroxy-1-phenylethyl]-4-methoxy-2H-indazole-5-carboxamide;4-methoxy-2H-indazole-5-carboxamide;4-methoxy-2H-indazole-5-carboxylic acid is CCOC(=O)c1ccc2c(c(I)nn2C)c1OC.CCOC(=O)c1ccc2n[nH]c(I)c2c1OC.CCOC(=O)c1ccc2n[nH]cc2c1OC.COc1c(C(=O)N[C@@H](C)C(N)=O)ccc2n[nH]c(/C=C/c3ccccc3F)c12.COc1c(C(=O)N[C@H](CO)c2ccccc2)ccc2n[nH]c(/C=C/c3ccccc3F)c12.COc1c(C(=O)O)ccc2n[nH]cc12.COc1c(C(N)=O)ccc2n[nH]cc12.
What is the InChIKey of N-[(2S)-1-amino-1-oxopropan-2-yl]-3-[(E)-2-(2-fluorophenyl)ethenyl]-4-methoxy-2H-indazole-5-carboxamide;ethyl 3-iodo-4-methoxy-2H-indazole-5-carboxylate;ethyl 3-iodo-4-methoxy-1-methylindazole-5-carboxylate;ethyl 4-methoxy-2H-indazole-5-carboxylate;3-[(E)-2-(2-fluorophenyl)ethenyl]-N-[(1S)-2-hydroxy-1-phenylethyl]-4-methoxy-2H-indazole-5-carboxamide;4-methoxy-2H-indazole-5-carboxamide;4-methoxy-2H-indazole-5-carboxylic acid?
The InChIKey is HHABOUPIAFUSLU-NJCPVYHLSA-N. The full InChI is InChI=1S/C25H22FN3O3.C20H19FN4O3.C12H13IN2O3.C11H11IN2O3.C11H12N2O3.C9H9N3O2.C9H8N2O3/c1-32-24-18(25(31)27-22(15-30)17-8-3-2-4-9-17)12-14-21-23(24)20(28-29-21)13-11-16-7-5-6-10-19(16)26;1-11(19(22)26)23-20(27)13-8-10-16-17(18(13)28-2)15(24-25-16)9-7-12-5-3-4-6-14(12)21;1-4-18-12(16)7-5-6-8-9(10(7)17-3)11(13)14-15(8)2;1-3-17-11(15)6-4-5-7-8(9(6)16-2)10(12)14-13-7;1-3-16-11(14)7-4-5-9-8(6-12-13-9)10(7)15-2;1-14-8-5(9(10)13)2-3-7-6(8)4-11-12-7;1-14-8-5(9(12)13)2-3-7-6(8)4-10-11-7/h2-14,22,30H,15H2,1H3,(H,27,31)(H,28,29);3-11H,1-2H3,(H2,22,26)(H,23,27)(H,24,25);5-6H,4H2,1-3H3;4-5H,3H2,1-2H3,(H,13,14);4-6H,3H2,1-2H3,(H,12,13);2-4H,1H3,(H2,10,13)(H,11,12);2-4H,1H3,(H,10,11)(H,12,13)/b13-11+;9-7+;;;;;/t22-;11-;;;;;/m10...../s1.
What are the key properties of N-[(2S)-1-amino-1-oxopropan-2-yl]-3-[(E)-2-(2-fluorophenyl)ethenyl]-4-methoxy-2H-indazole-5-carboxamide;ethyl 3-iodo-4-methoxy-2H-indazole-5-carboxylate;ethyl 3-iodo-4-methoxy-1-methylindazole-5-carboxylate;ethyl 4-methoxy-2H-indazole-5-carboxylate;3-[(E)-2-(2-fluorophenyl)ethenyl]-N-[(1S)-2-hydroxy-1-phenylethyl]-4-methoxy-2H-indazole-5-carboxamide;4-methoxy-2H-indazole-5-carboxamide;4-methoxy-2H-indazole-5-carboxylic acid?
N-[(2S)-1-amino-1-oxopropan-2-yl]-3-[(E)-2-(2-fluorophenyl)ethenyl]-4-methoxy-2H-indazole-5-carboxamide;ethyl 3-iodo-4-methoxy-2H-indazole-5-carboxylate;ethyl 3-iodo-4-methoxy-1-methylindazole-5-carboxylate;ethyl 4-methoxy-2H-indazole-5-carboxylate;3-[(E)-2-(2-fluorophenyl)ethenyl]-N-[(1S)-2-hydroxy-1-phenylethyl]-4-methoxy-2H-indazole-5-carboxamide;4-methoxy-2H-indazole-5-carboxamide;4-methoxy-2H-indazole-5-carboxylic acid has a molecular weight of 2123.73 g/mol, XLogP of 15.23, 26 rotatable bonds, 12 hydrogen bond donors, and 27 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-amino-1-oxopropan-2-yl]-3-[(E)-2-(2-fluorophenyl)ethenyl]-4-methoxy-2H-indazole-5-carboxamide;ethyl 3-iodo-4-methoxy-2H-indazole-5-carboxylate;ethyl 3-iodo-4-methoxy-1-methylindazole-5-carboxylate;ethyl 4-methoxy-2H-indazole-5-carboxylate;3-[(E)-2-(2-fluorophenyl)ethenyl]-N-[(1S)-2-hydroxy-1-phenylethyl]-4-methoxy-2H-indazole-5-carboxamide;4-methoxy-2H-indazole-5-carboxamide;4-methoxy-2H-indazole-5-carboxylic acid is sourced from PubChem (CID 158476617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).