N-[(2S)-1-amino-1-oxopropan-2-yl]-3-[(E)-2-(4-fluorophenyl)ethenyl]-4-(2-hydroxyethoxy)-2H-indazole-5-carboxamide;N-cyclopropyl-3-[(E)-2-(4-fluorophenyl)ethenyl]-4-hydroxy-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-4-(2-hydroxyethoxy)-N-[(1S)-2-hydroxy-1-phenylethyl]-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-4-hydroxy-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-4-hydroxy-2H-indazole-5-carboxylic acid

C103H94F5N15O16 — CID 158490296

IUPACN-[(2S)-1-amino-1-oxopropan-2-yl]-3-[(E)-2-(4-fluorophenyl)ethenyl]-4-(2-hydroxyethoxy)-2H-indazole-5-carboxamide;N-cyclopropyl-3-[(E)-2-(4-fluorophenyl)ethenyl]-4-hydroxy-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-4-(2-hydroxyethoxy)-N-[(1S)-2-hydroxy-1-phenylethyl]-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-4-hydroxy-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-4-hydroxy-2H-indazole-5-carboxylic acid
SMILESCC(C)[C@@H](CO)NC(=O)c1ccc2n[nH]c(/C=C/c3ccc(F)cc3)c2c1O.C[C@H](NC(=O)c1ccc2n[nH]c(/C=C/c3ccc(F)cc3)c2c1OCCO)C(N)=O.O=C(NC1CC1)c1ccc2n[nH]c(/C=C/c3ccc(F)cc3)c2c1O.O=C(N[C@H](CO)c1ccccc1)c1ccc2n[nH]c(/C=C/c3ccc(F)cc3)c2c1OCCO.O=C(O)c1ccc2n[nH]c(/C=C/c3ccc(F)cc3)c2c1O
InChIInChI=1S/C26H24FN3O4.C21H21FN4O4.C21H22FN3O3.C19H16FN3O2.C16H11FN2O3/c27-19-9-6-17(7-10-19)8-12-21-24-22(30-29-21)13-11-20(25(24)34-15-14-31)26(33)28-23(16-32)18-4-2-1-3-5-18;1-12(20(23)28)24-21(29)15-7-9-17-18(19(15)30-11-10-27)16(25-26-17)8-4-13-2-5-14(22)6-3-13;1-12(2)18(11-26)23-21(28)15-8-10-17-19(20(15)27)16(24-25-17)9-5-13-3-6-14(22)7-4-13;20-12-4-1-11(2-5-12)3-9-15-17-16(23-22-15)10-8-14(18(17)24)19(25)21-13-6-7-13;17-10-4-1-9(2-5-10)3-7-12-14-13(19-18-12)8-6-11(15(14)20)16(21)22/h1-13,23,31-32H,14-16H2,(H,28,33)(H,29,30);2-9,12,27H,10-11H2,1H3,(H2,23,28)(H,24,29)(H,25,26);3-10,12,18,26-27H,11H2,1-2H3,(H,23,28)(H,24,25);1-5,8-10,13,24H,6-7H2,(H,21,25)(H,22,23);1-8,20H,(H,18,19)(H,21,22)/b12-8+;8-4+;9-5+;9-3+;7-3+/t23-;12-;18-;;/m101../s1
InChIKeyHIPPIRIHSLSQTA-GZDZFVSHSA-N
MW1892.96 g/mol
LogP15.63
Rot. Bonds30

About N-[(2S)-1-amino-1-oxopropan-2-yl]-3-[(E)-2-(4-fluorophenyl)ethenyl]-4-(2-hydroxyethoxy)-2H-indazole-5-carboxamide;N-cyclopropyl-3-[(E)-2-(4-fluorophenyl)ethenyl]-4-hydroxy-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-4-(2-hydroxyethoxy)-N-[(1S)-2-hydroxy-1-phenylethyl]-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-4-hydroxy-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-4-hydroxy-2H-indazole-5-carboxylic acid

N-[(2S)-1-amino-1-oxopropan-2-yl]-3-[(E)-2-(4-fluorophenyl)ethenyl]-4-(2-hydroxyethoxy)-2H-indazole-5-carboxamide;N-cyclopropyl-3-[(E)-2-(4-fluorophenyl)ethenyl]-4-hydroxy-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-4-(2-hydroxyethoxy)-N-[(1S)-2-hydroxy-1-phenylethyl]-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-4-hydroxy-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-4-hydroxy-2H-indazole-5-carboxylic acid (PubChem CID 158490296) has the molecular formula C103H94F5N15O16 and a molecular weight of 1892.96 g/mol. Its IUPAC name is N-[(2S)-1-amino-1-oxopropan-2-yl]-3-[(E)-2-(4-fluorophenyl)ethenyl]-4-(2-hydroxyethoxy)-2H-indazole-5-carboxamide;N-cyclopropyl-3-[(E)-2-(4-fluorophenyl)ethenyl]-4-hydroxy-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-4-(2-hydroxyethoxy)-N-[(1S)-2-hydroxy-1-phenylethyl]-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-4-hydroxy-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-4-hydroxy-2H-indazole-5-carboxylic acid.

Molecular Properties

Compound NameN-[(2S)-1-amino-1-oxopropan-2-yl]-3-[(E)-2-(4-fluorophenyl)ethenyl]-4-(2-hydroxyethoxy)-2H-indazole-5-carboxamide;N-cyclopropyl-3-[(E)-2-(4-fluorophenyl)ethenyl]-4-hydroxy-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-4-(2-hydroxyethoxy)-N-[(1S)-2-hydroxy-1-phenylethyl]-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-4-hydroxy-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-4-hydroxy-2H-indazole-5-carboxylic acid
PubChem CID158490296
Molecular FormulaC103H94F5N15O16
Molecular Weight1892.96 g/mol
Exact Mass1891.69
IUPAC NameN-[(2S)-1-amino-1-oxopropan-2-yl]-3-[(E)-2-(4-fluorophenyl)ethenyl]-4-(2-hydroxyethoxy)-2H-indazole-5-carboxamide;N-cyclopropyl-3-[(E)-2-(4-fluorophenyl)ethenyl]-4-hydroxy-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-4-(2-hydroxyethoxy)-N-[(1S)-2-hydroxy-1-phenylethyl]-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-4-hydroxy-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-4-hydroxy-2H-indazole-5-carboxylic acid
SMILESCC(C)[C@@H](CO)NC(=O)c1ccc2n[nH]c(/C=C/c3ccc(F)cc3)c2c1O.C[C@H](NC(=O)c1ccc2n[nH]c(/C=C/c3ccc(F)cc3)c2c1OCCO)C(N)=O.O=C(NC1CC1)c1ccc2n[nH]c(/C=C/c3ccc(F)cc3)c2c1O.O=C(N[C@H](CO)c1ccccc1)c1ccc2n[nH]c(/C=C/c3ccc(F)cc3)c2c1OCCO.O=C(O)c1ccc2n[nH]c(/C=C/c3ccc(F)cc3)c2c1O
InChIInChI=1S/C26H24FN3O4.C21H21FN4O4.C21H22FN3O3.C19H16FN3O2.C16H11FN2O3/c27-19-9-6-17(7-10-19)8-12-21-24-22(30-29-21)13-11-20(25(24)34-15-14-31)26(33)28-23(16-32)18-4-2-1-3-5-18;1-12(20(23)28)24-21(29)15-7-9-17-18(19(15)30-11-10-27)16(25-26-17)8-4-13-2-5-14(22)6-3-13;1-12(2)18(11-26)23-21(28)15-8-10-17-19(20(15)27)16(24-25-17)9-5-13-3-6-14(22)7-4-13;20-12-4-1-11(2-5-12)3-9-15-17-16(23-22-15)10-8-14(18(17)24)19(25)21-13-6-7-13;17-10-4-1-9(2-5-10)3-7-12-14-13(19-18-12)8-6-11(15(14)20)16(21)22/h1-13,23,31-32H,14-16H2,(H,28,33)(H,29,30);2-9,12,27H,10-11H2,1H3,(H2,23,28)(H,24,29)(H,25,26);3-10,12,18,26-27H,11H2,1-2H3,(H,23,28)(H,24,25);1-5,8-10,13,24H,6-7H2,(H,21,25)(H,22,23);1-8,20H,(H,18,19)(H,21,22)/b12-8+;8-4+;9-5+;9-3+;7-3+/t23-;12-;18-;;/m101../s1
InChIKeyHIPPIRIHSLSQTA-GZDZFVSHSA-N
XLogP15.63
TPSA500.26 Ų
H-Bond Donors18
H-Bond Acceptors20
Rotatable Bonds30
Heavy Atoms139
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001892.96
LogP ≤ 515.63
H-Bond Donors ≤ 518
H-Bond Acceptors ≤ 1020

Analyze N-[(2S)-1-amino-1-oxopropan-2-yl]-3-[(E)-2-(4-fluorophenyl)ethenyl]-4-(2-hydroxyethoxy)-2H-indazole-5-carboxamide;N-cyclopropyl-3-[(E)-2-(4-fluorophenyl)ethenyl]-4-hydroxy-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-4-(2-hydroxyethoxy)-N-[(1S)-2-hydroxy-1-phenylethyl]-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-4-hydroxy-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-4-hydroxy-2H-indazole-5-carboxylic acid with MolForge

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Related Compounds

N-cyclopropyl-3-[(E)-2-[3-(hydroxymethyl)phenyl]ethenyl]-4-methoxy-2H-indazole-5-carboxamide;N-cyclopropyl-4-methoxy-3-[(E)-2-(2-methoxyphenyl)ethenyl]-2H-indazole-5-carboxamide;N-cyclopropyl-4-methoxy-3-[(E)-2-(3-methoxyphenyl)ethenyl]-2H-indazole-5-carboxamide;N-cyclopropyl-4-methoxy-3-[(E)-2-(4-methoxyphenyl)ethenyl]-2H-indazole-5-carboxamide;7-fluoro-N-[(1S)-2-hydroxy-1-phenylethyl]-3-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-2H-indazole-5-carboxamide
CID 160081203
N-cyclopropyl-3-[(E)-2-[4-(hydroxymethyl)phenyl]ethenyl]-4-methoxy-2H-indazole-5-carboxamide;N-cyclopropyl-4-methoxy-3-[(E)-2-(2-methoxyphenyl)ethenyl]-2H-indazole-5-carboxamide;N-cyclopropyl-4-methoxy-3-[(E)-2-(3-methoxyphenyl)ethenyl]-2H-indazole-5-carboxamide;N-cyclopropyl-4-methoxy-3-[(E)-2-(4-methoxyphenyl)ethenyl]-2H-indazole-5-carboxamide;7-fluoro-N-[(1S)-2-hydroxy-1-phenylethyl]-3-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-2H-indazole-5-carboxamide
CID 160581110
N-cyclopropyl-3-[(E)-2-[2-(hydroxymethyl)phenyl]ethenyl]-4-methoxy-2H-indazole-5-carboxamide;N-cyclopropyl-3-[(E)-2-[3-(hydroxymethyl)phenyl]ethenyl]-4-methoxy-2H-indazole-5-carboxamide;N-cyclopropyl-4-methoxy-3-[(E)-2-(2-methoxyphenyl)ethenyl]-2H-indazole-5-carboxamide;7-fluoro-N-[(1S)-2-hydroxy-1-phenylethyl]-3-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-2H-indazole-5-carboxamide
CID 160923552
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
3-[(E)-2-(1-benzofuran-5-yl)ethenyl]-4-methoxy-2H-indazole-5-carboxylic acid;3-[(E)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethenyl]-4-methoxy-2H-indazole-5-carboxylic acid;ethyl 3-[(E)-2-(1-benzofuran-5-yl)ethenyl]-4-methoxy-2H-indazole-5-carboxylate;ethyl 3-[(E)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethenyl]-4-methoxy-2H-indazole-5-carboxylate;3-[(E)-2-(4-fluorophenyl)ethenyl]-N-[(1R,2R)-2-hydroxycyclohexyl]-4-methoxy-2H-indazole-5-carboxamide
CID 157052007
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-cyclopropyl-3-[(E)-2-[4-(2-hydroxyethyl)phenyl]ethenyl]-4-methoxy-2H-indazole-5-carboxamide;N-cyclopropyl-3-[(E)-2-[4-(hydroxymethyl)phenyl]ethenyl]-4-methoxy-2H-indazole-5-carboxamide;N-cyclopropyl-4-methoxy-3-[(E)-2-(3-methoxyphenyl)ethenyl]-2H-indazole-5-carboxamide;N-cyclopropyl-4-methoxy-3-[(E)-2-(4-methoxyphenyl)ethenyl]-2H-indazole-5-carboxamide
CID 157248359
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
1-O-tert-butyl 5-O-ethyl 3-[(E)-2-(4-fluorophenyl)ethenyl]-4-(2-hydroxyethoxy)indazole-1,5-dicarboxylate;1-O-tert-butyl 5-O-ethyl 3-[(E)-2-(4-fluorophenyl)ethenyl]-4-hydroxyindazole-1,5-dicarboxylate;1-O-tert-butyl 5-O-ethyl 3-[(E)-2-(4-fluorophenyl)ethenyl]-4-[2-(oxan-2-yloxy)ethoxy]indazole-1,5-dicarboxylate;ethyl 3-[(E)-2-(4-fluorophenyl)ethenyl]-4-hydroxy-2H-indazole-5-carboxylate
CID 157409705
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

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-amino-1-oxopropan-2-yl]-3-[(E)-2-(4-fluorophenyl)ethenyl]-4-(2-hydroxyethoxy)-2H-indazole-5-carboxamide;N-cyclopropyl-3-[(E)-2-(4-fluorophenyl)ethenyl]-4-hydroxy-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-4-(2-hydroxyethoxy)-N-[(1S)-2-hydroxy-1-phenylethyl]-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-4-hydroxy-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-4-hydroxy-2H-indazole-5-carboxylic acid?
The IUPAC name of N-[(2S)-1-amino-1-oxopropan-2-yl]-3-[(E)-2-(4-fluorophenyl)ethenyl]-4-(2-hydroxyethoxy)-2H-indazole-5-carboxamide;N-cyclopropyl-3-[(E)-2-(4-fluorophenyl)ethenyl]-4-hydroxy-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-4-(2-hydroxyethoxy)-N-[(1S)-2-hydroxy-1-phenylethyl]-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-4-hydroxy-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-4-hydroxy-2H-indazole-5-carboxylic acid (CID 158490296) is N-[(2S)-1-amino-1-oxopropan-2-yl]-3-[(E)-2-(4-fluorophenyl)ethenyl]-4-(2-hydroxyethoxy)-2H-indazole-5-carboxamide;N-cyclopropyl-3-[(E)-2-(4-fluorophenyl)ethenyl]-4-hydroxy-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-4-(2-hydroxyethoxy)-N-[(1S)-2-hydroxy-1-phenylethyl]-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-4-hydroxy-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-4-hydroxy-2H-indazole-5-carboxylic acid.
What is the SMILES notation for N-[(2S)-1-amino-1-oxopropan-2-yl]-3-[(E)-2-(4-fluorophenyl)ethenyl]-4-(2-hydroxyethoxy)-2H-indazole-5-carboxamide;N-cyclopropyl-3-[(E)-2-(4-fluorophenyl)ethenyl]-4-hydroxy-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-4-(2-hydroxyethoxy)-N-[(1S)-2-hydroxy-1-phenylethyl]-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-4-hydroxy-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-4-hydroxy-2H-indazole-5-carboxylic acid?
The canonical SMILES for N-[(2S)-1-amino-1-oxopropan-2-yl]-3-[(E)-2-(4-fluorophenyl)ethenyl]-4-(2-hydroxyethoxy)-2H-indazole-5-carboxamide;N-cyclopropyl-3-[(E)-2-(4-fluorophenyl)ethenyl]-4-hydroxy-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-4-(2-hydroxyethoxy)-N-[(1S)-2-hydroxy-1-phenylethyl]-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-4-hydroxy-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-4-hydroxy-2H-indazole-5-carboxylic acid is CC(C)[C@@H](CO)NC(=O)c1ccc2n[nH]c(/C=C/c3ccc(F)cc3)c2c1O.C[C@H](NC(=O)c1ccc2n[nH]c(/C=C/c3ccc(F)cc3)c2c1OCCO)C(N)=O.O=C(NC1CC1)c1ccc2n[nH]c(/C=C/c3ccc(F)cc3)c2c1O.O=C(N[C@H](CO)c1ccccc1)c1ccc2n[nH]c(/C=C/c3ccc(F)cc3)c2c1OCCO.O=C(O)c1ccc2n[nH]c(/C=C/c3ccc(F)cc3)c2c1O.
What is the InChIKey of N-[(2S)-1-amino-1-oxopropan-2-yl]-3-[(E)-2-(4-fluorophenyl)ethenyl]-4-(2-hydroxyethoxy)-2H-indazole-5-carboxamide;N-cyclopropyl-3-[(E)-2-(4-fluorophenyl)ethenyl]-4-hydroxy-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-4-(2-hydroxyethoxy)-N-[(1S)-2-hydroxy-1-phenylethyl]-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-4-hydroxy-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-4-hydroxy-2H-indazole-5-carboxylic acid?
The InChIKey is HIPPIRIHSLSQTA-GZDZFVSHSA-N. The full InChI is InChI=1S/C26H24FN3O4.C21H21FN4O4.C21H22FN3O3.C19H16FN3O2.C16H11FN2O3/c27-19-9-6-17(7-10-19)8-12-21-24-22(30-29-21)13-11-20(25(24)34-15-14-31)26(33)28-23(16-32)18-4-2-1-3-5-18;1-12(20(23)28)24-21(29)15-7-9-17-18(19(15)30-11-10-27)16(25-26-17)8-4-13-2-5-14(22)6-3-13;1-12(2)18(11-26)23-21(28)15-8-10-17-19(20(15)27)16(24-25-17)9-5-13-3-6-14(22)7-4-13;20-12-4-1-11(2-5-12)3-9-15-17-16(23-22-15)10-8-14(18(17)24)19(25)21-13-6-7-13;17-10-4-1-9(2-5-10)3-7-12-14-13(19-18-12)8-6-11(15(14)20)16(21)22/h1-13,23,31-32H,14-16H2,(H,28,33)(H,29,30);2-9,12,27H,10-11H2,1H3,(H2,23,28)(H,24,29)(H,25,26);3-10,12,18,26-27H,11H2,1-2H3,(H,23,28)(H,24,25);1-5,8-10,13,24H,6-7H2,(H,21,25)(H,22,23);1-8,20H,(H,18,19)(H,21,22)/b12-8+;8-4+;9-5+;9-3+;7-3+/t23-;12-;18-;;/m101../s1.
What are the key properties of N-[(2S)-1-amino-1-oxopropan-2-yl]-3-[(E)-2-(4-fluorophenyl)ethenyl]-4-(2-hydroxyethoxy)-2H-indazole-5-carboxamide;N-cyclopropyl-3-[(E)-2-(4-fluorophenyl)ethenyl]-4-hydroxy-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-4-(2-hydroxyethoxy)-N-[(1S)-2-hydroxy-1-phenylethyl]-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-4-hydroxy-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-4-hydroxy-2H-indazole-5-carboxylic acid?
N-[(2S)-1-amino-1-oxopropan-2-yl]-3-[(E)-2-(4-fluorophenyl)ethenyl]-4-(2-hydroxyethoxy)-2H-indazole-5-carboxamide;N-cyclopropyl-3-[(E)-2-(4-fluorophenyl)ethenyl]-4-hydroxy-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-4-(2-hydroxyethoxy)-N-[(1S)-2-hydroxy-1-phenylethyl]-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-4-hydroxy-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-4-hydroxy-2H-indazole-5-carboxylic acid has a molecular weight of 1892.96 g/mol, XLogP of 15.63, 30 rotatable bonds, 18 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-amino-1-oxopropan-2-yl]-3-[(E)-2-(4-fluorophenyl)ethenyl]-4-(2-hydroxyethoxy)-2H-indazole-5-carboxamide;N-cyclopropyl-3-[(E)-2-(4-fluorophenyl)ethenyl]-4-hydroxy-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-4-(2-hydroxyethoxy)-N-[(1S)-2-hydroxy-1-phenylethyl]-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-4-hydroxy-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-4-hydroxy-2H-indazole-5-carboxylic acid is sourced from PubChem (CID 158490296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).