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

C107H100F5N15O18 — CID 160640073

IUPACN-[(2S)-1-amino-1-oxopropan-2-yl]-3-[(E)-2-(4-fluorophenyl)ethenyl]-4-(2-hydroxyethoxy)-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-N-(furan-2-ylmethyl)-4-(2-hydroxyethoxy)-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-[2-(4-fluorophenyl)ethyl]-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(NCc1ccco1)c1ccc2n[nH]c(/C=C/c3ccc(F)cc3)c2c1OCCO.O=C(N[C@H](CO)c1ccccc1)c1ccc2n[nH]c(/C=C/c3ccc(F)cc3)c2c1OCCO.O=C(O)c1ccc2n[nH]c(CCc3ccc(F)cc3)c2c1O
InChIInChI=1S/C26H24FN3O4.C23H20FN3O4.C21H21FN4O4.C21H22FN3O3.C16H13FN2O3/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;24-16-6-3-15(4-7-16)5-9-19-21-20(27-26-19)10-8-18(22(21)31-13-11-28)23(29)25-14-17-2-1-12-30-17;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;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);1-10,12,28H,11,13-14H2,(H,25,29)(H,26,27);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);1-2,4-6,8,20H,3,7H2,(H,18,19)(H,21,22)/b12-8+;9-5+;8-4+;9-5+;/t23-;;12-;18-;/m1.01./s1
InChIKeyRJBFIPDKSHBJTF-IBDFRLKUSA-N
MW1979.05 g/mol
LogP15.54
Rot. Bonds35

About N-[(2S)-1-amino-1-oxopropan-2-yl]-3-[(E)-2-(4-fluorophenyl)ethenyl]-4-(2-hydroxyethoxy)-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-N-(furan-2-ylmethyl)-4-(2-hydroxyethoxy)-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-[2-(4-fluorophenyl)ethyl]-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;3-[(E)-2-(4-fluorophenyl)ethenyl]-N-(furan-2-ylmethyl)-4-(2-hydroxyethoxy)-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-[2-(4-fluorophenyl)ethyl]-4-hydroxy-2H-indazole-5-carboxylic acid (PubChem CID 160640073) has the molecular formula C107H100F5N15O18 and a molecular weight of 1979.05 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;3-[(E)-2-(4-fluorophenyl)ethenyl]-N-(furan-2-ylmethyl)-4-(2-hydroxyethoxy)-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-[2-(4-fluorophenyl)ethyl]-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;3-[(E)-2-(4-fluorophenyl)ethenyl]-N-(furan-2-ylmethyl)-4-(2-hydroxyethoxy)-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-[2-(4-fluorophenyl)ethyl]-4-hydroxy-2H-indazole-5-carboxylic acid
PubChem CID160640073
Molecular FormulaC107H100F5N15O18
Molecular Weight1979.05 g/mol
Exact Mass1977.73
IUPAC NameN-[(2S)-1-amino-1-oxopropan-2-yl]-3-[(E)-2-(4-fluorophenyl)ethenyl]-4-(2-hydroxyethoxy)-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-N-(furan-2-ylmethyl)-4-(2-hydroxyethoxy)-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-[2-(4-fluorophenyl)ethyl]-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(NCc1ccco1)c1ccc2n[nH]c(/C=C/c3ccc(F)cc3)c2c1OCCO.O=C(N[C@H](CO)c1ccccc1)c1ccc2n[nH]c(/C=C/c3ccc(F)cc3)c2c1OCCO.O=C(O)c1ccc2n[nH]c(CCc3ccc(F)cc3)c2c1O
InChIInChI=1S/C26H24FN3O4.C23H20FN3O4.C21H21FN4O4.C21H22FN3O3.C16H13FN2O3/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;24-16-6-3-15(4-7-16)5-9-19-21-20(27-26-19)10-8-18(22(21)31-13-11-28)23(29)25-14-17-2-1-12-30-17;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;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);1-10,12,28H,11,13-14H2,(H,25,29)(H,26,27);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);1-2,4-6,8,20H,3,7H2,(H,18,19)(H,21,22)/b12-8+;9-5+;8-4+;9-5+;/t23-;;12-;18-;/m1.01./s1
InChIKeyRJBFIPDKSHBJTF-IBDFRLKUSA-N
XLogP15.54
TPSA522.63 Ų
H-Bond Donors18
H-Bond Acceptors22
Rotatable Bonds35
Heavy Atoms145
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001979.05
LogP ≤ 515.54
H-Bond Donors ≤ 518
H-Bond Acceptors ≤ 1022

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

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Related Compounds

3-[(E)-2-(4-fluorophenyl)ethenyl]-4-(2-hydroxyethoxy)-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-2H-indazole-5-carboxamide
CID 135987909
N-[(2S)-1-amino-1-oxopropan-2-yl]-3-[(E)-2-(4-chlorophenyl)ethenyl]-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(4-aminophenyl)ethenyl]-N-cyclopropyl-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(4-aminophenyl)ethenyl]-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(4-aminophenyl)ethenyl]-4-methoxy-2H-indazole-5-carboxylic acid;3-[(E)-2-(4-chlorophenyl)ethenyl]-N-[(1S)-2-hydroxy-1-phenylethyl]-4-methoxy-2H-indazole-5-carboxamide
CID 161122132
N-(1-amino-1-oxo-3-phenylpropan-2-yl)-4-methoxy-3-[(E)-2-pyridin-4-ylethenyl]-2H-indazole-5-carboxamide;N-cyclopropyl-4-methoxy-3-[(E)-2-pyridin-4-ylethenyl]-2H-indazole-5-carboxamide;N-(furan-2-ylmethyl)-4-methoxy-3-[(E)-2-pyridin-4-ylethenyl]-2H-indazole-5-carboxamide;N-(1-hydroxy-3-methylbutan-2-yl)-4-methoxy-3-[(E)-2-pyridin-4-ylethenyl]-2H-indazole-5-carboxamide;4-methoxy-3-[(E)-2-pyridin-4-ylethenyl]-N-(thiophen-2-ylmethyl)-2H-indazole-5-carboxamide
CID 160610035
N-cyclopropyl-3-[(E)-2-(6-fluoro-3-pyridinyl)ethenyl]-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(6-fluoro-3-pyridinyl)ethenyl]-N-(furan-2-ylmethyl)-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(6-fluoro-3-pyridinyl)ethenyl]-N-[(1S)-2-hydroxy-1-phenylethyl]-4-methoxy-2H-indazole-5-carboxamide;N-(furan-2-ylmethyl)-4-methoxy-3-[(E)-2-(1,3-thiazol-2-yl)ethenyl]-2H-indazole-5-carboxamide
CID 158360024
3-[(E)-2-(4-fluorocyclohexa-1,3-dien-1-yl)ethenyl]-N-(furan-2-ylmethyl)-4-(2-hydroxyethoxy)-2H-indazole-5-carboxamide
CID 163665992
3-[(E)-2-(4-aminophenyl)ethenyl]-N-[(1S)-2-hydroxy-1-phenylethyl]-4-methoxy-2H-indazole-5-carboxamide
CID 135987956
3-[(E)-2-(3-acetylphenyl)ethenyl]-N-(1-amino-3-hydroxy-1-oxopropan-2-yl)-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(3-acetylphenyl)ethenyl]-N-(1-amino-1-oxo-3-phenylpropan-2-yl)-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(3-acetylphenyl)ethenyl]-N-(1-amino-1-oxopropan-2-yl)-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(3-acetylphenyl)ethenyl]-N-(1-hydroxy-3-methylbutan-2-yl)-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(3-acetylphenyl)ethenyl]-4-methoxy-N-(thiophen-2-ylmethyl)-2H-indazole-5-carboxamide
CID 159265239
N-cyclopropyl-3-[2-(4-fluorophenyl)ethenyl]-4-(2-hydroxyethoxy)-2H-indazole-5-carboxamide
CID 136648325
3-[2-(4-fluorophenyl)ethenyl]-4-hydroxy-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-1H-indazole-5-carboxamide
CID 136629913
N-(2-acetamidoethyl)-3-(3-fluorophenyl)-4-methoxy-2H-indazole-5-carboxamide;N-(2-acetamidoethyl)-3-(3-fluorophenyl)-6-methoxy-1H-indazole-5-carboxamide;3-(3-fluorophenyl)-N-(furan-2-ylmethyl)-4-methoxy-2H-indazole-5-carboxamide;3-(3-fluorophenyl)-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-4-methoxy-2H-indazole-5-carboxamide;3-(3-fluorophenyl)-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-6-methoxy-1H-indazole-5-carboxamide;3-(3-fluorophenyl)-6-methoxy-N-(pyridin-3-ylmethyl)-1H-indazole-5-carboxamide
CID 158218052
3-[(E)-2-(4-fluorophenyl)ethenyl]-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-4-methoxy-1H-indazole-5-carboxamide
CID 59797305
N-benzyl-3-[(E)-2-(3,4-difluorophenyl)ethenyl]-4-methoxy-2H-indazole-5-carboxamide;N-cyclopropyl-3-[(E)-2-(3,4-difluorophenyl)ethenyl]-4-methoxy-2H-indazole-5-carboxamide;N-(cyclopropylmethyl)-3-[(E)-2-(3,4-difluorophenyl)ethenyl]-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(3,4-difluorophenyl)ethenyl]-N-(furan-2-ylmethyl)-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(3,4-difluorophenyl)ethenyl]-4-methoxy-N-(thiophen-2-ylmethyl)-2H-indazole-5-carboxamide
CID 158047421

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;3-[(E)-2-(4-fluorophenyl)ethenyl]-N-(furan-2-ylmethyl)-4-(2-hydroxyethoxy)-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-[2-(4-fluorophenyl)ethyl]-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;3-[(E)-2-(4-fluorophenyl)ethenyl]-N-(furan-2-ylmethyl)-4-(2-hydroxyethoxy)-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-[2-(4-fluorophenyl)ethyl]-4-hydroxy-2H-indazole-5-carboxylic acid (CID 160640073) is N-[(2S)-1-amino-1-oxopropan-2-yl]-3-[(E)-2-(4-fluorophenyl)ethenyl]-4-(2-hydroxyethoxy)-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-N-(furan-2-ylmethyl)-4-(2-hydroxyethoxy)-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-[2-(4-fluorophenyl)ethyl]-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;3-[(E)-2-(4-fluorophenyl)ethenyl]-N-(furan-2-ylmethyl)-4-(2-hydroxyethoxy)-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-[2-(4-fluorophenyl)ethyl]-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;3-[(E)-2-(4-fluorophenyl)ethenyl]-N-(furan-2-ylmethyl)-4-(2-hydroxyethoxy)-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-[2-(4-fluorophenyl)ethyl]-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(NCc1ccco1)c1ccc2n[nH]c(/C=C/c3ccc(F)cc3)c2c1OCCO.O=C(N[C@H](CO)c1ccccc1)c1ccc2n[nH]c(/C=C/c3ccc(F)cc3)c2c1OCCO.O=C(O)c1ccc2n[nH]c(CCc3ccc(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;3-[(E)-2-(4-fluorophenyl)ethenyl]-N-(furan-2-ylmethyl)-4-(2-hydroxyethoxy)-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-[2-(4-fluorophenyl)ethyl]-4-hydroxy-2H-indazole-5-carboxylic acid?
The InChIKey is RJBFIPDKSHBJTF-IBDFRLKUSA-N. The full InChI is InChI=1S/C26H24FN3O4.C23H20FN3O4.C21H21FN4O4.C21H22FN3O3.C16H13FN2O3/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;24-16-6-3-15(4-7-16)5-9-19-21-20(27-26-19)10-8-18(22(21)31-13-11-28)23(29)25-14-17-2-1-12-30-17;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;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);1-10,12,28H,11,13-14H2,(H,25,29)(H,26,27);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);1-2,4-6,8,20H,3,7H2,(H,18,19)(H,21,22)/b12-8+;9-5+;8-4+;9-5+;/t23-;;12-;18-;/m1.01./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;3-[(E)-2-(4-fluorophenyl)ethenyl]-N-(furan-2-ylmethyl)-4-(2-hydroxyethoxy)-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-[2-(4-fluorophenyl)ethyl]-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;3-[(E)-2-(4-fluorophenyl)ethenyl]-N-(furan-2-ylmethyl)-4-(2-hydroxyethoxy)-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-[2-(4-fluorophenyl)ethyl]-4-hydroxy-2H-indazole-5-carboxylic acid has a molecular weight of 1979.05 g/mol, XLogP of 15.54, 35 rotatable bonds, 18 hydrogen bond donors, and 22 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;3-[(E)-2-(4-fluorophenyl)ethenyl]-N-(furan-2-ylmethyl)-4-(2-hydroxyethoxy)-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-[2-(4-fluorophenyl)ethyl]-4-hydroxy-2H-indazole-5-carboxylic acid is sourced from PubChem (CID 160640073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).