1-[2-(4-fluorophenyl)ethyl]indazole-5-carboxylic acid;2-[2-(4-fluorophenyl)ethyl]indazole-5-carboxylic acid;1-[(4-fluorophenyl)methyl]indazole-6-carboxylic acid;2-[(4-fluorophenyl)methyl]indazole-5-carboxylic acid;2-[(4-fluorophenyl)methyl]indazole-6-carboxylic acid;1-[(4-fluorophenyl)methyl]pyrrolo[2,3-b]pyridine-5-carboxylic acid;2-[(4-methylphenyl)methyl]indazole-5-carboxylic acid;1-(1-phenylethyl)indazole-5-carboxylic acid;2-(1-phenylethyl)indazole-5-carboxylic acid;1-[[3-(trifluoromethyl)phenyl]methyl]indazole-5-carboxylic acid;1-[[4-(trifluoromethyl)phenyl]methyl]indazole-5-carboxylic acid;2-[[3-(trifluoromethyl)phenyl]methyl]indazole-5-carboxylic acid

C188H145F15N24O24 — CID 160849664

IUPAC1-[2-(4-fluorophenyl)ethyl]indazole-5-carboxylic acid;2-[2-(4-fluorophenyl)ethyl]indazole-5-carboxylic acid;1-[(4-fluorophenyl)methyl]indazole-6-carboxylic acid;2-[(4-fluorophenyl)methyl]indazole-5-carboxylic acid;2-[(4-fluorophenyl)methyl]indazole-6-carboxylic acid;1-[(4-fluorophenyl)methyl]pyrrolo[2,3-b]pyridine-5-carboxylic acid;2-[(4-methylphenyl)methyl]indazole-5-carboxylic acid;1-(1-phenylethyl)indazole-5-carboxylic acid;2-(1-phenylethyl)indazole-5-carboxylic acid;1-[[3-(trifluoromethyl)phenyl]methyl]indazole-5-carboxylic acid;1-[[4-(trifluoromethyl)phenyl]methyl]indazole-5-carboxylic acid;2-[[3-(trifluoromethyl)phenyl]methyl]indazole-5-carboxylic acid
SMILESCC(c1ccccc1)n1cc2cc(C(=O)O)ccc2n1.CC(c1ccccc1)n1ncc2cc(C(=O)O)ccc21.Cc1ccc(Cn2cc3cc(C(=O)O)ccc3n2)cc1.O=C(O)c1ccc2c(cnn2CCc2ccc(F)cc2)c1.O=C(O)c1ccc2c(cnn2Cc2ccc(C(F)(F)F)cc2)c1.O=C(O)c1ccc2c(cnn2Cc2cccc(C(F)(F)F)c2)c1.O=C(O)c1ccc2cn(Cc3ccc(F)cc3)nc2c1.O=C(O)c1ccc2cnn(Cc3ccc(F)cc3)c2c1.O=C(O)c1ccc2nn(CCc3ccc(F)cc3)cc2c1.O=C(O)c1ccc2nn(Cc3ccc(F)cc3)cc2c1.O=C(O)c1ccc2nn(Cc3cccc(C(F)(F)F)c3)cc2c1.O=C(O)c1cnc2c(ccn2Cc2ccc(F)cc2)c1
InChIInChI=1S/3C16H11F3N2O2.2C16H13FN2O2.3C16H14N2O2.4C15H11FN2O2/c17-16(18,19)13-4-1-10(2-5-13)9-21-14-6-3-11(15(22)23)7-12(14)8-20-21;17-16(18,19)13-3-1-2-10(6-13)9-21-14-5-4-11(15(22)23)7-12(14)8-20-21;17-16(18,19)13-3-1-2-10(6-13)8-21-9-12-7-11(15(22)23)4-5-14(12)20-21;17-14-4-1-11(2-5-14)7-8-19-10-13-9-12(16(20)21)3-6-15(13)18-19;17-14-4-1-11(2-5-14)7-8-19-15-6-3-12(16(20)21)9-13(15)10-18-19;1-11-2-4-12(5-3-11)9-18-10-14-8-13(16(19)20)6-7-15(14)17-18;1-11(12-5-3-2-4-6-12)18-10-14-9-13(16(19)20)7-8-15(14)17-18;1-11(12-5-3-2-4-6-12)18-15-8-7-13(16(19)20)9-14(15)10-17-18;16-13-5-1-10(2-6-13)9-18-14-7-11(15(19)20)3-4-12(14)8-17-18;16-13-5-1-10(2-6-13)8-18-9-12-4-3-11(15(19)20)7-14(12)17-18;16-13-4-1-10(2-5-13)8-18-9-12-7-11(15(19)20)3-6-14(12)17-18;16-13-3-1-10(2-4-13)9-18-6-5-11-7-12(15(19)20)8-17-14(11)18/h2*1-8H,9H2,(H,22,23);1-7,9H,8H2,(H,22,23);2*1-6,9-10H,7-8H2,(H,20,21);2-8,10H,9H2,1H3,(H,19,20);2*2-11H,1H3,(H,19,20);1-8H,9H2,(H,19,20);2*1-7,9H,8H2,(H,19,20);1-8H,9H2,(H,19,20)
InChIKeySJCCJVYIBSWXBT-UHFFFAOYSA-N
MW3409.34 g/mol
LogP39.10
Rot. Bonds38

About 1-[2-(4-fluorophenyl)ethyl]indazole-5-carboxylic acid;2-[2-(4-fluorophenyl)ethyl]indazole-5-carboxylic acid;1-[(4-fluorophenyl)methyl]indazole-6-carboxylic acid;2-[(4-fluorophenyl)methyl]indazole-5-carboxylic acid;2-[(4-fluorophenyl)methyl]indazole-6-carboxylic acid;1-[(4-fluorophenyl)methyl]pyrrolo[2,3-b]pyridine-5-carboxylic acid;2-[(4-methylphenyl)methyl]indazole-5-carboxylic acid;1-(1-phenylethyl)indazole-5-carboxylic acid;2-(1-phenylethyl)indazole-5-carboxylic acid;1-[[3-(trifluoromethyl)phenyl]methyl]indazole-5-carboxylic acid;1-[[4-(trifluoromethyl)phenyl]methyl]indazole-5-carboxylic acid;2-[[3-(trifluoromethyl)phenyl]methyl]indazole-5-carboxylic acid

1-[2-(4-fluorophenyl)ethyl]indazole-5-carboxylic acid;2-[2-(4-fluorophenyl)ethyl]indazole-5-carboxylic acid;1-[(4-fluorophenyl)methyl]indazole-6-carboxylic acid;2-[(4-fluorophenyl)methyl]indazole-5-carboxylic acid;2-[(4-fluorophenyl)methyl]indazole-6-carboxylic acid;1-[(4-fluorophenyl)methyl]pyrrolo[2,3-b]pyridine-5-carboxylic acid;2-[(4-methylphenyl)methyl]indazole-5-carboxylic acid;1-(1-phenylethyl)indazole-5-carboxylic acid;2-(1-phenylethyl)indazole-5-carboxylic acid;1-[[3-(trifluoromethyl)phenyl]methyl]indazole-5-carboxylic acid;1-[[4-(trifluoromethyl)phenyl]methyl]indazole-5-carboxylic acid;2-[[3-(trifluoromethyl)phenyl]methyl]indazole-5-carboxylic acid (PubChem CID 160849664) has the molecular formula C188H145F15N24O24 and a molecular weight of 3409.34 g/mol. Its IUPAC name is 1-[2-(4-fluorophenyl)ethyl]indazole-5-carboxylic acid;2-[2-(4-fluorophenyl)ethyl]indazole-5-carboxylic acid;1-[(4-fluorophenyl)methyl]indazole-6-carboxylic acid;2-[(4-fluorophenyl)methyl]indazole-5-carboxylic acid;2-[(4-fluorophenyl)methyl]indazole-6-carboxylic acid;1-[(4-fluorophenyl)methyl]pyrrolo[2,3-b]pyridine-5-carboxylic acid;2-[(4-methylphenyl)methyl]indazole-5-carboxylic acid;1-(1-phenylethyl)indazole-5-carboxylic acid;2-(1-phenylethyl)indazole-5-carboxylic acid;1-[[3-(trifluoromethyl)phenyl]methyl]indazole-5-carboxylic acid;1-[[4-(trifluoromethyl)phenyl]methyl]indazole-5-carboxylic acid;2-[[3-(trifluoromethyl)phenyl]methyl]indazole-5-carboxylic acid.

Molecular Properties

Compound Name1-[2-(4-fluorophenyl)ethyl]indazole-5-carboxylic acid;2-[2-(4-fluorophenyl)ethyl]indazole-5-carboxylic acid;1-[(4-fluorophenyl)methyl]indazole-6-carboxylic acid;2-[(4-fluorophenyl)methyl]indazole-5-carboxylic acid;2-[(4-fluorophenyl)methyl]indazole-6-carboxylic acid;1-[(4-fluorophenyl)methyl]pyrrolo[2,3-b]pyridine-5-carboxylic acid;2-[(4-methylphenyl)methyl]indazole-5-carboxylic acid;1-(1-phenylethyl)indazole-5-carboxylic acid;2-(1-phenylethyl)indazole-5-carboxylic acid;1-[[3-(trifluoromethyl)phenyl]methyl]indazole-5-carboxylic acid;1-[[4-(trifluoromethyl)phenyl]methyl]indazole-5-carboxylic acid;2-[[3-(trifluoromethyl)phenyl]methyl]indazole-5-carboxylic acid
PubChem CID160849664
Molecular FormulaC188H145F15N24O24
Molecular Weight3409.34 g/mol
Exact Mass3407.06
IUPAC Name1-[2-(4-fluorophenyl)ethyl]indazole-5-carboxylic acid;2-[2-(4-fluorophenyl)ethyl]indazole-5-carboxylic acid;1-[(4-fluorophenyl)methyl]indazole-6-carboxylic acid;2-[(4-fluorophenyl)methyl]indazole-5-carboxylic acid;2-[(4-fluorophenyl)methyl]indazole-6-carboxylic acid;1-[(4-fluorophenyl)methyl]pyrrolo[2,3-b]pyridine-5-carboxylic acid;2-[(4-methylphenyl)methyl]indazole-5-carboxylic acid;1-(1-phenylethyl)indazole-5-carboxylic acid;2-(1-phenylethyl)indazole-5-carboxylic acid;1-[[3-(trifluoromethyl)phenyl]methyl]indazole-5-carboxylic acid;1-[[4-(trifluoromethyl)phenyl]methyl]indazole-5-carboxylic acid;2-[[3-(trifluoromethyl)phenyl]methyl]indazole-5-carboxylic acid
SMILESCC(c1ccccc1)n1cc2cc(C(=O)O)ccc2n1.CC(c1ccccc1)n1ncc2cc(C(=O)O)ccc21.Cc1ccc(Cn2cc3cc(C(=O)O)ccc3n2)cc1.O=C(O)c1ccc2c(cnn2CCc2ccc(F)cc2)c1.O=C(O)c1ccc2c(cnn2Cc2ccc(C(F)(F)F)cc2)c1.O=C(O)c1ccc2c(cnn2Cc2cccc(C(F)(F)F)c2)c1.O=C(O)c1ccc2cn(Cc3ccc(F)cc3)nc2c1.O=C(O)c1ccc2cnn(Cc3ccc(F)cc3)c2c1.O=C(O)c1ccc2nn(CCc3ccc(F)cc3)cc2c1.O=C(O)c1ccc2nn(Cc3ccc(F)cc3)cc2c1.O=C(O)c1ccc2nn(Cc3cccc(C(F)(F)F)c3)cc2c1.O=C(O)c1cnc2c(ccn2Cc2ccc(F)cc2)c1
InChIInChI=1S/3C16H11F3N2O2.2C16H13FN2O2.3C16H14N2O2.4C15H11FN2O2/c17-16(18,19)13-4-1-10(2-5-13)9-21-14-6-3-11(15(22)23)7-12(14)8-20-21;17-16(18,19)13-3-1-2-10(6-13)9-21-14-5-4-11(15(22)23)7-12(14)8-20-21;17-16(18,19)13-3-1-2-10(6-13)8-21-9-12-7-11(15(22)23)4-5-14(12)20-21;17-14-4-1-11(2-5-14)7-8-19-10-13-9-12(16(20)21)3-6-15(13)18-19;17-14-4-1-11(2-5-14)7-8-19-15-6-3-12(16(20)21)9-13(15)10-18-19;1-11-2-4-12(5-3-11)9-18-10-14-8-13(16(19)20)6-7-15(14)17-18;1-11(12-5-3-2-4-6-12)18-10-14-9-13(16(19)20)7-8-15(14)17-18;1-11(12-5-3-2-4-6-12)18-15-8-7-13(16(19)20)9-14(15)10-17-18;16-13-5-1-10(2-6-13)9-18-14-7-11(15(19)20)3-4-12(14)8-17-18;16-13-5-1-10(2-6-13)8-18-9-12-4-3-11(15(19)20)7-14(12)17-18;16-13-4-1-10(2-5-13)8-18-9-12-7-11(15(19)20)3-6-14(12)17-18;16-13-3-1-10(2-4-13)9-18-6-5-11-7-12(15(19)20)8-17-14(11)18/h2*1-8H,9H2,(H,22,23);1-7,9H,8H2,(H,22,23);2*1-6,9-10H,7-8H2,(H,20,21);2-8,10H,9H2,1H3,(H,19,20);2*2-11H,1H3,(H,19,20);1-8H,9H2,(H,19,20);2*1-7,9H,8H2,(H,19,20);1-8H,9H2,(H,19,20)
InChIKeySJCCJVYIBSWXBT-UHFFFAOYSA-N
XLogP39.10
TPSA661.44 Ų
H-Bond Donors12
H-Bond Acceptors36
Rotatable Bonds38
Heavy Atoms251
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003409.34
LogP ≤ 539.10
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1036

Analyze 1-[2-(4-fluorophenyl)ethyl]indazole-5-carboxylic acid;2-[2-(4-fluorophenyl)ethyl]indazole-5-carboxylic acid;1-[(4-fluorophenyl)methyl]indazole-6-carboxylic acid;2-[(4-fluorophenyl)methyl]indazole-5-carboxylic acid;2-[(4-fluorophenyl)methyl]indazole-6-carboxylic acid;1-[(4-fluorophenyl)methyl]pyrrolo[2,3-b]pyridine-5-carboxylic acid;2-[(4-methylphenyl)methyl]indazole-5-carboxylic acid;1-(1-phenylethyl)indazole-5-carboxylic acid;2-(1-phenylethyl)indazole-5-carboxylic acid;1-[[3-(trifluoromethyl)phenyl]methyl]indazole-5-carboxylic acid;1-[[4-(trifluoromethyl)phenyl]methyl]indazole-5-carboxylic acid;2-[[3-(trifluoromethyl)phenyl]methyl]indazole-5-carboxylic acid with MolForge

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Related Compounds

4-[[4-[4-Amino-3-[1-[(2-fluorophenyl)methyl]indol-5-yl]pyrazolo[3,4-d]pyrimidin-1-yl]cyclohexyl]amino]benzoic acid
CID 68455530
4-[[4-[4-Amino-3-[1-[(2-fluorophenyl)methyl]indol-5-yl]pyrazolo[3,4-d]pyrimidin-1-yl]cyclohexyl]amino]-2-ethylbenzoic acid
CID 68458685
3-(N-[4-[4-amino-3-[1-[(2-fluorophenyl)methyl]indol-5-yl]pyrazolo[3,4-d]pyrimidin-1-yl]cyclohexyl]anilino)benzoic acid
CID 69291988
4-[4-[5-(3-Ethyl-4-piperidin-1-ylphenyl)-1,2,4-oxadiazol-3-yl]indazol-1-yl]butanoic acid;4-[4-[5-[4-phenyl-3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-3-yl]indazol-1-yl]butanoic acid
CID 87238074
4-[4-[5-[4-Phenyl-3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-3-yl]indazol-1-yl]butanoyl 4-[4-[5-(3-ethyl-4-piperidin-1-ylphenyl)-1,2,4-oxadiazol-3-yl]indazol-1-yl]butanoate
CID 87238075
1-[2-(4-Fluorophenyl)ethyl]indazole-5-carboxylic acid;2-[2-(4-fluorophenyl)ethyl]indazole-5-carboxylic acid;1-[(4-fluorophenyl)methyl]indazole-6-carboxylic acid;2-[(4-fluorophenyl)methyl]indazole-5-carboxylic acid;2-[(4-fluorophenyl)methyl]indazole-6-carboxylic acid;1-(1-phenylethyl)indazole-5-carboxylic acid;2-(1-phenylethyl)indazole-5-carboxylic acid;1-[[3-(trifluoromethyl)phenyl]methyl]indazole-5-carboxylic acid;1-[[4-(trifluoromethyl)phenyl]methyl]indazole-5-carboxylic acid;2-[[3-(trifluoromethyl)phenyl]methyl]indazole-5-carboxylic acid;2-[[4-(trifluoromethyl)phenyl]methyl]indazole-5-carboxylic acid
CID 157552402
1-(5-Chloro-2-pyridinyl)indole-5-carboxylic acid;1-(2,4-difluorophenyl)indole-5-carboxylic acid;1-phenylindazole-5-carboxylic acid;1-[2-(trifluoromethyl)phenyl]indole-5-carboxylic acid;1-[3-(trifluoromethyl)phenyl]indole-5-carboxylic acid;1-[4-(trifluoromethyl)phenyl]indole-5-carboxylic acid
CID 157779012
3-(3-Fluorophenyl)-1-methylindazole-5-carboxylic acid;3-(4-fluorophenyl)-1-methylindazole-5-carboxylic acid;4-phenylquinazoline-6-carboxylic acid;4-[4-(trifluoromethyl)phenyl]quinoxalin-4-ium-6-carboxylic acid
CID 157978957
1-(2,4-Difluorophenyl)indole-5-carboxylic acid;1-[2-(trifluoromethyl)phenyl]indole-5-carboxylic acid;1-[3-(trifluoromethyl)phenyl]indole-5-carboxylic acid;1-[4-(trifluoromethyl)phenyl]indole-5-carboxylic acid;1-[5-(trifluoromethyl)-2-pyridinyl]indole-5-carboxylic acid
CID 158023576
1-(4-Methyl-2-pyridinyl)indole-5-carboxylic acid;1-(5-methyl-2-pyridinyl)indole-5-carboxylic acid;1-(6-methyl-2-pyridinyl)indole-5-carboxylic acid;1-(2-methylpyrimidin-4-yl)indole-5-carboxylic acid;1-[6-(trifluoromethyl)-3-pyridinyl]indole-5-carboxylic acid
CID 158724422
1-(5-Fluoro-2-pyridinyl)indole-5-carboxylic acid;1-pyridin-2-ylindole-5-carboxylic acid;1-pyrimidin-5-ylindole-5-carboxylic acid;1-[5-(trifluoromethyl)-2-pyridinyl]indole-5-carboxylic acid;1-[6-(trifluoromethyl)-3-pyridinyl]indole-5-carboxylic acid
CID 158884022
1-(2-Methylpyrimidin-4-yl)indole-5-carboxylic acid;1-pyrazin-2-ylindole-5-carboxylic acid;1-pyridin-2-ylindole-5-carboxylic acid;1-[5-(trifluoromethyl)-2-pyridinyl]indole-5-carboxylic acid;1-[6-(trifluoromethyl)-3-pyridinyl]indole-5-carboxylic acid
CID 159053315

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-fluorophenyl)ethyl]indazole-5-carboxylic acid;2-[2-(4-fluorophenyl)ethyl]indazole-5-carboxylic acid;1-[(4-fluorophenyl)methyl]indazole-6-carboxylic acid;2-[(4-fluorophenyl)methyl]indazole-5-carboxylic acid;2-[(4-fluorophenyl)methyl]indazole-6-carboxylic acid;1-[(4-fluorophenyl)methyl]pyrrolo[2,3-b]pyridine-5-carboxylic acid;2-[(4-methylphenyl)methyl]indazole-5-carboxylic acid;1-(1-phenylethyl)indazole-5-carboxylic acid;2-(1-phenylethyl)indazole-5-carboxylic acid;1-[[3-(trifluoromethyl)phenyl]methyl]indazole-5-carboxylic acid;1-[[4-(trifluoromethyl)phenyl]methyl]indazole-5-carboxylic acid;2-[[3-(trifluoromethyl)phenyl]methyl]indazole-5-carboxylic acid?
The IUPAC name of 1-[2-(4-fluorophenyl)ethyl]indazole-5-carboxylic acid;2-[2-(4-fluorophenyl)ethyl]indazole-5-carboxylic acid;1-[(4-fluorophenyl)methyl]indazole-6-carboxylic acid;2-[(4-fluorophenyl)methyl]indazole-5-carboxylic acid;2-[(4-fluorophenyl)methyl]indazole-6-carboxylic acid;1-[(4-fluorophenyl)methyl]pyrrolo[2,3-b]pyridine-5-carboxylic acid;2-[(4-methylphenyl)methyl]indazole-5-carboxylic acid;1-(1-phenylethyl)indazole-5-carboxylic acid;2-(1-phenylethyl)indazole-5-carboxylic acid;1-[[3-(trifluoromethyl)phenyl]methyl]indazole-5-carboxylic acid;1-[[4-(trifluoromethyl)phenyl]methyl]indazole-5-carboxylic acid;2-[[3-(trifluoromethyl)phenyl]methyl]indazole-5-carboxylic acid (CID 160849664) is 1-[2-(4-fluorophenyl)ethyl]indazole-5-carboxylic acid;2-[2-(4-fluorophenyl)ethyl]indazole-5-carboxylic acid;1-[(4-fluorophenyl)methyl]indazole-6-carboxylic acid;2-[(4-fluorophenyl)methyl]indazole-5-carboxylic acid;2-[(4-fluorophenyl)methyl]indazole-6-carboxylic acid;1-[(4-fluorophenyl)methyl]pyrrolo[2,3-b]pyridine-5-carboxylic acid;2-[(4-methylphenyl)methyl]indazole-5-carboxylic acid;1-(1-phenylethyl)indazole-5-carboxylic acid;2-(1-phenylethyl)indazole-5-carboxylic acid;1-[[3-(trifluoromethyl)phenyl]methyl]indazole-5-carboxylic acid;1-[[4-(trifluoromethyl)phenyl]methyl]indazole-5-carboxylic acid;2-[[3-(trifluoromethyl)phenyl]methyl]indazole-5-carboxylic acid.
What is the SMILES notation for 1-[2-(4-fluorophenyl)ethyl]indazole-5-carboxylic acid;2-[2-(4-fluorophenyl)ethyl]indazole-5-carboxylic acid;1-[(4-fluorophenyl)methyl]indazole-6-carboxylic acid;2-[(4-fluorophenyl)methyl]indazole-5-carboxylic acid;2-[(4-fluorophenyl)methyl]indazole-6-carboxylic acid;1-[(4-fluorophenyl)methyl]pyrrolo[2,3-b]pyridine-5-carboxylic acid;2-[(4-methylphenyl)methyl]indazole-5-carboxylic acid;1-(1-phenylethyl)indazole-5-carboxylic acid;2-(1-phenylethyl)indazole-5-carboxylic acid;1-[[3-(trifluoromethyl)phenyl]methyl]indazole-5-carboxylic acid;1-[[4-(trifluoromethyl)phenyl]methyl]indazole-5-carboxylic acid;2-[[3-(trifluoromethyl)phenyl]methyl]indazole-5-carboxylic acid?
The canonical SMILES for 1-[2-(4-fluorophenyl)ethyl]indazole-5-carboxylic acid;2-[2-(4-fluorophenyl)ethyl]indazole-5-carboxylic acid;1-[(4-fluorophenyl)methyl]indazole-6-carboxylic acid;2-[(4-fluorophenyl)methyl]indazole-5-carboxylic acid;2-[(4-fluorophenyl)methyl]indazole-6-carboxylic acid;1-[(4-fluorophenyl)methyl]pyrrolo[2,3-b]pyridine-5-carboxylic acid;2-[(4-methylphenyl)methyl]indazole-5-carboxylic acid;1-(1-phenylethyl)indazole-5-carboxylic acid;2-(1-phenylethyl)indazole-5-carboxylic acid;1-[[3-(trifluoromethyl)phenyl]methyl]indazole-5-carboxylic acid;1-[[4-(trifluoromethyl)phenyl]methyl]indazole-5-carboxylic acid;2-[[3-(trifluoromethyl)phenyl]methyl]indazole-5-carboxylic acid is CC(c1ccccc1)n1cc2cc(C(=O)O)ccc2n1.CC(c1ccccc1)n1ncc2cc(C(=O)O)ccc21.Cc1ccc(Cn2cc3cc(C(=O)O)ccc3n2)cc1.O=C(O)c1ccc2c(cnn2CCc2ccc(F)cc2)c1.O=C(O)c1ccc2c(cnn2Cc2ccc(C(F)(F)F)cc2)c1.O=C(O)c1ccc2c(cnn2Cc2cccc(C(F)(F)F)c2)c1.O=C(O)c1ccc2cn(Cc3ccc(F)cc3)nc2c1.O=C(O)c1ccc2cnn(Cc3ccc(F)cc3)c2c1.O=C(O)c1ccc2nn(CCc3ccc(F)cc3)cc2c1.O=C(O)c1ccc2nn(Cc3ccc(F)cc3)cc2c1.O=C(O)c1ccc2nn(Cc3cccc(C(F)(F)F)c3)cc2c1.O=C(O)c1cnc2c(ccn2Cc2ccc(F)cc2)c1.
What is the InChIKey of 1-[2-(4-fluorophenyl)ethyl]indazole-5-carboxylic acid;2-[2-(4-fluorophenyl)ethyl]indazole-5-carboxylic acid;1-[(4-fluorophenyl)methyl]indazole-6-carboxylic acid;2-[(4-fluorophenyl)methyl]indazole-5-carboxylic acid;2-[(4-fluorophenyl)methyl]indazole-6-carboxylic acid;1-[(4-fluorophenyl)methyl]pyrrolo[2,3-b]pyridine-5-carboxylic acid;2-[(4-methylphenyl)methyl]indazole-5-carboxylic acid;1-(1-phenylethyl)indazole-5-carboxylic acid;2-(1-phenylethyl)indazole-5-carboxylic acid;1-[[3-(trifluoromethyl)phenyl]methyl]indazole-5-carboxylic acid;1-[[4-(trifluoromethyl)phenyl]methyl]indazole-5-carboxylic acid;2-[[3-(trifluoromethyl)phenyl]methyl]indazole-5-carboxylic acid?
The InChIKey is SJCCJVYIBSWXBT-UHFFFAOYSA-N. The full InChI is InChI=1S/3C16H11F3N2O2.2C16H13FN2O2.3C16H14N2O2.4C15H11FN2O2/c17-16(18,19)13-4-1-10(2-5-13)9-21-14-6-3-11(15(22)23)7-12(14)8-20-21;17-16(18,19)13-3-1-2-10(6-13)9-21-14-5-4-11(15(22)23)7-12(14)8-20-21;17-16(18,19)13-3-1-2-10(6-13)8-21-9-12-7-11(15(22)23)4-5-14(12)20-21;17-14-4-1-11(2-5-14)7-8-19-10-13-9-12(16(20)21)3-6-15(13)18-19;17-14-4-1-11(2-5-14)7-8-19-15-6-3-12(16(20)21)9-13(15)10-18-19;1-11-2-4-12(5-3-11)9-18-10-14-8-13(16(19)20)6-7-15(14)17-18;1-11(12-5-3-2-4-6-12)18-10-14-9-13(16(19)20)7-8-15(14)17-18;1-11(12-5-3-2-4-6-12)18-15-8-7-13(16(19)20)9-14(15)10-17-18;16-13-5-1-10(2-6-13)9-18-14-7-11(15(19)20)3-4-12(14)8-17-18;16-13-5-1-10(2-6-13)8-18-9-12-4-3-11(15(19)20)7-14(12)17-18;16-13-4-1-10(2-5-13)8-18-9-12-7-11(15(19)20)3-6-14(12)17-18;16-13-3-1-10(2-4-13)9-18-6-5-11-7-12(15(19)20)8-17-14(11)18/h2*1-8H,9H2,(H,22,23);1-7,9H,8H2,(H,22,23);2*1-6,9-10H,7-8H2,(H,20,21);2-8,10H,9H2,1H3,(H,19,20);2*2-11H,1H3,(H,19,20);1-8H,9H2,(H,19,20);2*1-7,9H,8H2,(H,19,20);1-8H,9H2,(H,19,20).
What are the key properties of 1-[2-(4-fluorophenyl)ethyl]indazole-5-carboxylic acid;2-[2-(4-fluorophenyl)ethyl]indazole-5-carboxylic acid;1-[(4-fluorophenyl)methyl]indazole-6-carboxylic acid;2-[(4-fluorophenyl)methyl]indazole-5-carboxylic acid;2-[(4-fluorophenyl)methyl]indazole-6-carboxylic acid;1-[(4-fluorophenyl)methyl]pyrrolo[2,3-b]pyridine-5-carboxylic acid;2-[(4-methylphenyl)methyl]indazole-5-carboxylic acid;1-(1-phenylethyl)indazole-5-carboxylic acid;2-(1-phenylethyl)indazole-5-carboxylic acid;1-[[3-(trifluoromethyl)phenyl]methyl]indazole-5-carboxylic acid;1-[[4-(trifluoromethyl)phenyl]methyl]indazole-5-carboxylic acid;2-[[3-(trifluoromethyl)phenyl]methyl]indazole-5-carboxylic acid?
1-[2-(4-fluorophenyl)ethyl]indazole-5-carboxylic acid;2-[2-(4-fluorophenyl)ethyl]indazole-5-carboxylic acid;1-[(4-fluorophenyl)methyl]indazole-6-carboxylic acid;2-[(4-fluorophenyl)methyl]indazole-5-carboxylic acid;2-[(4-fluorophenyl)methyl]indazole-6-carboxylic acid;1-[(4-fluorophenyl)methyl]pyrrolo[2,3-b]pyridine-5-carboxylic acid;2-[(4-methylphenyl)methyl]indazole-5-carboxylic acid;1-(1-phenylethyl)indazole-5-carboxylic acid;2-(1-phenylethyl)indazole-5-carboxylic acid;1-[[3-(trifluoromethyl)phenyl]methyl]indazole-5-carboxylic acid;1-[[4-(trifluoromethyl)phenyl]methyl]indazole-5-carboxylic acid;2-[[3-(trifluoromethyl)phenyl]methyl]indazole-5-carboxylic acid has a molecular weight of 3409.34 g/mol, XLogP of 39.10, 38 rotatable bonds, 12 hydrogen bond donors, and 36 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-fluorophenyl)ethyl]indazole-5-carboxylic acid;2-[2-(4-fluorophenyl)ethyl]indazole-5-carboxylic acid;1-[(4-fluorophenyl)methyl]indazole-6-carboxylic acid;2-[(4-fluorophenyl)methyl]indazole-5-carboxylic acid;2-[(4-fluorophenyl)methyl]indazole-6-carboxylic acid;1-[(4-fluorophenyl)methyl]pyrrolo[2,3-b]pyridine-5-carboxylic acid;2-[(4-methylphenyl)methyl]indazole-5-carboxylic acid;1-(1-phenylethyl)indazole-5-carboxylic acid;2-(1-phenylethyl)indazole-5-carboxylic acid;1-[[3-(trifluoromethyl)phenyl]methyl]indazole-5-carboxylic acid;1-[[4-(trifluoromethyl)phenyl]methyl]indazole-5-carboxylic acid;2-[[3-(trifluoromethyl)phenyl]methyl]indazole-5-carboxylic acid is sourced from PubChem (CID 160849664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).