7-fluoro-3-(3-fluorophenyl)-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-2H-indazole-5-carboxamide;7-fluoro-3-(3-fluorophenyl)-N-[(2S)-1-hydroxy-4-methylsulfanylbutan-2-yl]-2H-indazole-5-carboxamide;7-fluoro-3-(3-fluorophenyl)-N-[(1S)-2-hydroxy-1-phenylethyl]-2H-indazole-5-carboxamide;7-fluoro-3-(3-fluorophenyl)-N-(2-methylsulfanylethyl)-2H-indazole-5-carboxamide;7-fluoro-3-(3-fluorophenyl)-N-[[(2S)-oxolan-2-yl]methyl]-2H-indazole-5-carboxamide;7-fluoro-3-(3-fluorophenyl)-N-[[(2R)-oxolan-2-yl]methyl]-2H-indazole-5-carboxamide

C115H104F12N18O11S2 — CID 161424394

IUPAC7-fluoro-3-(3-fluorophenyl)-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-2H-indazole-5-carboxamide;7-fluoro-3-(3-fluorophenyl)-N-[(2S)-1-hydroxy-4-methylsulfanylbutan-2-yl]-2H-indazole-5-carboxamide;7-fluoro-3-(3-fluorophenyl)-N-[(1S)-2-hydroxy-1-phenylethyl]-2H-indazole-5-carboxamide;7-fluoro-3-(3-fluorophenyl)-N-(2-methylsulfanylethyl)-2H-indazole-5-carboxamide;7-fluoro-3-(3-fluorophenyl)-N-[[(2S)-oxolan-2-yl]methyl]-2H-indazole-5-carboxamide;7-fluoro-3-(3-fluorophenyl)-N-[[(2R)-oxolan-2-yl]methyl]-2H-indazole-5-carboxamide
SMILESCC(C)[C@@H](CO)NC(=O)c1cc(F)c2n[nH]c(-c3cccc(F)c3)c2c1.CSCCNC(=O)c1cc(F)c2n[nH]c(-c3cccc(F)c3)c2c1.CSCC[C@@H](CO)NC(=O)c1cc(F)c2n[nH]c(-c3cccc(F)c3)c2c1.O=C(NC[C@@H]1CCCO1)c1cc(F)c2n[nH]c(-c3cccc(F)c3)c2c1.O=C(NC[C@H]1CCCO1)c1cc(F)c2n[nH]c(-c3cccc(F)c3)c2c1.O=C(N[C@H](CO)c1ccccc1)c1cc(F)c2n[nH]c(-c3cccc(F)c3)c2c1
InChIInChI=1S/C22H17F2N3O2.C19H19F2N3O2S.2C19H17F2N3O2.C19H19F2N3O2.C17H15F2N3OS/c23-16-8-4-7-14(9-16)20-17-10-15(11-18(24)21(17)27-26-20)22(29)25-19(12-28)13-5-2-1-3-6-13;1-27-6-5-14(10-25)22-19(26)12-8-15-17(11-3-2-4-13(20)7-11)23-24-18(15)16(21)9-12;2*20-13-4-1-3-11(7-13)17-15-8-12(9-16(21)18(15)24-23-17)19(25)22-10-14-5-2-6-26-14;1-10(2)16(9-25)22-19(26)12-7-14-17(11-4-3-5-13(20)6-11)23-24-18(14)15(21)8-12;1-24-6-5-20-17(23)11-8-13-15(10-3-2-4-12(18)7-10)21-22-16(13)14(19)9-11/h1-11,19,28H,12H2,(H,25,29)(H,26,27);2-4,7-9,14,25H,5-6,10H2,1H3,(H,22,26)(H,23,24);2*1,3-4,7-9,14H,2,5-6,10H2,(H,22,25)(H,23,24);3-8,10,16,25H,9H2,1-2H3,(H,22,26)(H,23,24);2-4,7-9H,5-6H2,1H3,(H,20,23)(H,21,22)/t19-;3*14-;16-;/m10101./s1
InChIKeyVXDYNLKVMVUPQC-GKLMXGEHSA-N
MW2206.32 g/mol
LogP21.01
Rot. Bonds30

About 7-fluoro-3-(3-fluorophenyl)-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-2H-indazole-5-carboxamide;7-fluoro-3-(3-fluorophenyl)-N-[(2S)-1-hydroxy-4-methylsulfanylbutan-2-yl]-2H-indazole-5-carboxamide;7-fluoro-3-(3-fluorophenyl)-N-[(1S)-2-hydroxy-1-phenylethyl]-2H-indazole-5-carboxamide;7-fluoro-3-(3-fluorophenyl)-N-(2-methylsulfanylethyl)-2H-indazole-5-carboxamide;7-fluoro-3-(3-fluorophenyl)-N-[[(2S)-oxolan-2-yl]methyl]-2H-indazole-5-carboxamide;7-fluoro-3-(3-fluorophenyl)-N-[[(2R)-oxolan-2-yl]methyl]-2H-indazole-5-carboxamide

7-fluoro-3-(3-fluorophenyl)-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-2H-indazole-5-carboxamide;7-fluoro-3-(3-fluorophenyl)-N-[(2S)-1-hydroxy-4-methylsulfanylbutan-2-yl]-2H-indazole-5-carboxamide;7-fluoro-3-(3-fluorophenyl)-N-[(1S)-2-hydroxy-1-phenylethyl]-2H-indazole-5-carboxamide;7-fluoro-3-(3-fluorophenyl)-N-(2-methylsulfanylethyl)-2H-indazole-5-carboxamide;7-fluoro-3-(3-fluorophenyl)-N-[[(2S)-oxolan-2-yl]methyl]-2H-indazole-5-carboxamide;7-fluoro-3-(3-fluorophenyl)-N-[[(2R)-oxolan-2-yl]methyl]-2H-indazole-5-carboxamide (PubChem CID 161424394) has the molecular formula C115H104F12N18O11S2 and a molecular weight of 2206.32 g/mol. Its IUPAC name is 7-fluoro-3-(3-fluorophenyl)-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-2H-indazole-5-carboxamide;7-fluoro-3-(3-fluorophenyl)-N-[(2S)-1-hydroxy-4-methylsulfanylbutan-2-yl]-2H-indazole-5-carboxamide;7-fluoro-3-(3-fluorophenyl)-N-[(1S)-2-hydroxy-1-phenylethyl]-2H-indazole-5-carboxamide;7-fluoro-3-(3-fluorophenyl)-N-(2-methylsulfanylethyl)-2H-indazole-5-carboxamide;7-fluoro-3-(3-fluorophenyl)-N-[[(2S)-oxolan-2-yl]methyl]-2H-indazole-5-carboxamide;7-fluoro-3-(3-fluorophenyl)-N-[[(2R)-oxolan-2-yl]methyl]-2H-indazole-5-carboxamide.

Molecular Properties

Compound Name7-fluoro-3-(3-fluorophenyl)-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-2H-indazole-5-carboxamide;7-fluoro-3-(3-fluorophenyl)-N-[(2S)-1-hydroxy-4-methylsulfanylbutan-2-yl]-2H-indazole-5-carboxamide;7-fluoro-3-(3-fluorophenyl)-N-[(1S)-2-hydroxy-1-phenylethyl]-2H-indazole-5-carboxamide;7-fluoro-3-(3-fluorophenyl)-N-(2-methylsulfanylethyl)-2H-indazole-5-carboxamide;7-fluoro-3-(3-fluorophenyl)-N-[[(2S)-oxolan-2-yl]methyl]-2H-indazole-5-carboxamide;7-fluoro-3-(3-fluorophenyl)-N-[[(2R)-oxolan-2-yl]methyl]-2H-indazole-5-carboxamide
PubChem CID161424394
Molecular FormulaC115H104F12N18O11S2
Molecular Weight2206.32 g/mol
Exact Mass2204.74
IUPAC Name7-fluoro-3-(3-fluorophenyl)-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-2H-indazole-5-carboxamide;7-fluoro-3-(3-fluorophenyl)-N-[(2S)-1-hydroxy-4-methylsulfanylbutan-2-yl]-2H-indazole-5-carboxamide;7-fluoro-3-(3-fluorophenyl)-N-[(1S)-2-hydroxy-1-phenylethyl]-2H-indazole-5-carboxamide;7-fluoro-3-(3-fluorophenyl)-N-(2-methylsulfanylethyl)-2H-indazole-5-carboxamide;7-fluoro-3-(3-fluorophenyl)-N-[[(2S)-oxolan-2-yl]methyl]-2H-indazole-5-carboxamide;7-fluoro-3-(3-fluorophenyl)-N-[[(2R)-oxolan-2-yl]methyl]-2H-indazole-5-carboxamide
SMILESCC(C)[C@@H](CO)NC(=O)c1cc(F)c2n[nH]c(-c3cccc(F)c3)c2c1.CSCCNC(=O)c1cc(F)c2n[nH]c(-c3cccc(F)c3)c2c1.CSCC[C@@H](CO)NC(=O)c1cc(F)c2n[nH]c(-c3cccc(F)c3)c2c1.O=C(NC[C@@H]1CCCO1)c1cc(F)c2n[nH]c(-c3cccc(F)c3)c2c1.O=C(NC[C@H]1CCCO1)c1cc(F)c2n[nH]c(-c3cccc(F)c3)c2c1.O=C(N[C@H](CO)c1ccccc1)c1cc(F)c2n[nH]c(-c3cccc(F)c3)c2c1
InChIInChI=1S/C22H17F2N3O2.C19H19F2N3O2S.2C19H17F2N3O2.C19H19F2N3O2.C17H15F2N3OS/c23-16-8-4-7-14(9-16)20-17-10-15(11-18(24)21(17)27-26-20)22(29)25-19(12-28)13-5-2-1-3-6-13;1-27-6-5-14(10-25)22-19(26)12-8-15-17(11-3-2-4-13(20)7-11)23-24-18(15)16(21)9-12;2*20-13-4-1-3-11(7-13)17-15-8-12(9-16(21)18(15)24-23-17)19(25)22-10-14-5-2-6-26-14;1-10(2)16(9-25)22-19(26)12-7-14-17(11-4-3-5-13(20)6-11)23-24-18(14)15(21)8-12;1-24-6-5-20-17(23)11-8-13-15(10-3-2-4-12(18)7-10)21-22-16(13)14(19)9-11/h1-11,19,28H,12H2,(H,25,29)(H,26,27);2-4,7-9,14,25H,5-6,10H2,1H3,(H,22,26)(H,23,24);2*1,3-4,7-9,14H,2,5-6,10H2,(H,22,25)(H,23,24);3-8,10,16,25H,9H2,1-2H3,(H,22,26)(H,23,24);2-4,7-9H,5-6H2,1H3,(H,20,23)(H,21,22)/t19-;3*14-;16-;/m10101./s1
InChIKeyVXDYNLKVMVUPQC-GKLMXGEHSA-N
XLogP21.01
TPSA425.83 Ų
H-Bond Donors15
H-Bond Acceptors19
Rotatable Bonds30
Heavy Atoms158
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002206.32
LogP ≤ 521.01
H-Bond Donors ≤ 515
H-Bond Acceptors ≤ 1019

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 7-fluoro-3-(3-fluorophenyl)-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-2H-indazole-5-carboxamide;7-fluoro-3-(3-fluorophenyl)-N-[(2S)-1-hydroxy-4-methylsulfanylbutan-2-yl]-2H-indazole-5-carboxamide;7-fluoro-3-(3-fluorophenyl)-N-[(1S)-2-hydroxy-1-phenylethyl]-2H-indazole-5-carboxamide;7-fluoro-3-(3-fluorophenyl)-N-(2-methylsulfanylethyl)-2H-indazole-5-carboxamide;7-fluoro-3-(3-fluorophenyl)-N-[[(2S)-oxolan-2-yl]methyl]-2H-indazole-5-carboxamide;7-fluoro-3-(3-fluorophenyl)-N-[[(2R)-oxolan-2-yl]methyl]-2H-indazole-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(cyclopropylmethyl)-7-fluoro-3-(3-fluorophenyl)-2H-indazole-5-carboxamide;7-fluoro-3-(3-fluorophenyl)-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-2H-indazole-5-carboxamide;7-fluoro-3-(3-fluorophenyl)-N-[(1S)-2-hydroxy-1-phenylethyl]-2H-indazole-5-carboxamide;7-fluoro-3-(3-fluorophenyl)-N-(2-methylsulfanylethyl)-2H-indazole-5-carboxamide;7-fluoro-3-(3-fluorophenyl)-N-[[(2S)-oxolan-2-yl]methyl]-2H-indazole-5-carboxamide;7-fluoro-3-(3-fluorophenyl)-N-[[(2R)-oxolan-2-yl]methyl]-2H-indazole-5-carboxamide
CID 157553625
N-cyclopropyl-7-fluoro-3-naphthalen-2-yl-2H-indazole-5-carboxamide;N-(cyclopropylmethyl)-7-fluoro-3-naphthalen-2-yl-2H-indazole-5-carboxamide;7-fluoro-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-3-naphthalen-2-yl-2H-indazole-5-carboxamide;7-fluoro-N-[(1S)-2-hydroxy-1-phenylethyl]-3-naphthalen-2-yl-2H-indazole-5-carboxamide;7-fluoro-N-(2-methylsulfanylethyl)-3-naphthalen-2-yl-2H-indazole-5-carboxamide
CID 158267317
3-(3-fluorophenyl)-N-(furan-2-ylmethyl)-7-methoxy-1H-indazole-5-carboxamide;3-(3-fluorophenyl)-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-7-methoxy-1H-indazole-5-carboxamide;3-(3-fluorophenyl)-7-methoxy-N-(2-methylsulfanylethyl)-1H-indazole-5-carboxamide;3-(3-fluorophenyl)-7-methoxy-N-[[(2S)-oxolan-2-yl]methyl]-1H-indazole-5-carboxamide;3-(3-fluorophenyl)-7-methoxy-N-[[(2R)-oxolan-2-yl]methyl]-1H-indazole-5-carboxamide
CID 159174781
N-(2-ethoxyethyl)-4-fluoro-3-(3-fluorophenyl)-1H-indazole-5-carboxamide;N-(2-ethoxyethyl)-3-(3-fluorophenyl)-6-methyl-1H-indazole-5-carboxamide;4-fluoro-3-(3-fluorophenyl)-N-(oxolan-2-ylmethyl)-1H-indazole-5-carboxamide;4-fluoro-3-(3-fluorophenyl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1H-indazole-5-carboxamide;4-fluoro-3-(3-fluorophenyl)-N-(2-thiophen-2-ylethyl)-1H-indazole-5-carboxamide;3-(3-fluorophenyl)-6-methyl-N-(2-thiophen-2-ylethyl)-1H-indazole-5-carboxamide
CID 159411862
N-(1,3-dihydroxypropan-2-yl)-7-fluoro-3-naphthalen-2-yl-2H-indazole-5-carboxamide;7-fluoro-N-[(2S)-1-hydroxy-4-methylpentan-2-yl]-3-naphthalen-2-yl-2H-indazole-5-carboxamide;7-fluoro-N-[(2S)-1-hydroxy-4-methylsulfanylbutan-2-yl]-3-naphthalen-2-yl-2H-indazole-5-carboxamide;7-fluoro-3-naphthalen-2-yl-N-[[(2S)-oxolan-2-yl]methyl]-2H-indazole-5-carboxamide;7-fluoro-3-naphthalen-2-yl-N-[[(2R)-oxolan-2-yl]methyl]-2H-indazole-5-carboxamide
CID 159652541
N-[(2S)-1-amino-1-oxopropan-2-yl]-4-fluoro-3-(3-fluorophenyl)-1H-indazole-5-carboxamide;N-[(2S)-1-amino-1-oxopropan-2-yl]-3-(3-fluorophenyl)-6-methyl-1H-indazole-5-carboxamide;N-(cyclopropylmethyl)-3-(3-fluorophenyl)-6-methyl-1H-indazole-5-carboxamide;N-(2-ethoxyethyl)-3-(3-fluorophenyl)-6-methyl-1H-indazole-5-carboxamide;4-fluoro-3-(3-fluorophenyl)-N-(2-methylsulfanylethyl)-1H-indazole-5-carboxamide;3-(3-fluorophenyl)-6-methyl-N-(2-methylsulfanylethyl)-1H-indazole-5-carboxamide
CID 160794181
N-[(2S)-1-amino-1-oxopropan-2-yl]-4-fluoro-3-(3-fluorophenyl)-1H-indazole-5-carboxamide;N-[(2S)-1-amino-1-oxopropan-2-yl]-3-(3-fluorophenyl)-6-methyl-1H-indazole-5-carboxamide;N-(cyclopropylmethyl)-3-(3-fluorophenyl)-6-methyl-1H-indazole-5-carboxamide;4-fluoro-3-(3-fluorophenyl)-N-(2-methylsulfanylethyl)-1H-indazole-5-carboxamide;3-(3-fluorophenyl)-N-[(1S)-2-hydroxy-1-phenylethyl]-6-methyl-1H-indazole-5-carboxamide;3-(3-fluorophenyl)-6-methyl-N-(2-methylsulfanylethyl)-1H-indazole-5-carboxamide
CID 161125260
N-ethyl-3-(3-fluorophenyl)-N-(2-hydroxyethyl)-1H-indazole-5-carboxamide;3-(3-fluorophenyl)-N-[(2R)-1-hydroxybutan-2-yl]-1H-indazole-5-carboxamide;3-(3-fluorophenyl)-N-[(2S)-1-hydroxybutan-2-yl]-1H-indazole-5-carboxamide;3-(3-fluorophenyl)-N-(4-hydroxycyclohexyl)-1H-indazole-5-carboxamide;3-(3-fluorophenyl)-N-[2-(2-hydroxyethoxy)ethyl]-1H-indazole-5-carboxamide;3-(3-fluorophenyl)-N-(2-piperidin-1-ylethyl)-1H-indazole-5-carboxamide
CID 161191279
N-(2-ethoxyethyl)-4-fluoro-3-(3-fluorophenyl)-1H-indazole-5-carboxamide;4-fluoro-3-(3-fluorophenyl)-N-(oxolan-2-ylmethyl)-1H-indazole-5-carboxamide;4-fluoro-3-(3-fluorophenyl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1H-indazole-5-carboxamide;4-fluoro-3-(3-fluorophenyl)-N-(2-thiophen-2-ylethyl)-1H-indazole-5-carboxamide;3-(3-fluorophenyl)-6-methyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1H-indazole-5-carboxamide;3-(3-fluorophenyl)-6-methyl-N-(2-thiophen-2-ylethyl)-1H-indazole-5-carboxamide
CID 161819895
N-(1,3-dihydroxypropan-2-yl)-7-fluoro-3-naphthalen-2-yl-2H-indazole-5-carboxamide;7-fluoro-N-[(2S)-1-hydroxy-4-methylsulfanylbutan-2-yl]-3-naphthalen-2-yl-2H-indazole-5-carboxamide;7-fluoro-N-[(1S)-2-hydroxy-1-phenylethyl]-3-naphthalen-2-yl-2H-indazole-5-carboxamide;7-fluoro-3-naphthalen-2-yl-N-[[(2S)-oxolan-2-yl]methyl]-2H-indazole-5-carboxamide;7-fluoro-3-naphthalen-2-yl-N-[[(2R)-oxolan-2-yl]methyl]-2H-indazole-5-carboxamide
CID 161887708
N-[2-amino-1-(2,3-difluorophenyl)ethyl]-3-(3-methyl-2H-indazol-5-yl)benzamide;N-[2-amino-1-(3-methylphenyl)ethyl]-3-cyano-5-(3-methyl-2H-indazol-5-yl)benzamide;N-[2-amino-1-(3-methylphenyl)ethyl]-3-(3-fluoro-2H-indazol-5-yl)benzamide;N-[2-amino-1-(3-methylphenyl)ethyl]-3-(3-fluoro-2H-indazol-5-yl)-5-(pyrrolidin-1-ylmethyl)benzamide;3-(3-fluoro-2H-indazol-5-yl)-N-[2-hydroxy-1-(3-methylphenyl)ethyl]benzamide;3-(3-fluoro-2H-indazol-5-yl)-N-[1-(3-methylphenyl)-2-piperazin-1-ylethyl]benzamide;N-[2-hydroxy-1-(3-methylphenyl)ethyl]-3-(3-methyl-2H-indazol-5-yl)benzamide;3-(3-methyl-2H-indazol-5-yl)-N-[1-(3-methylphenyl)-2-piperazin-1-ylethyl]benzamide
CID 163505886
N-[2-amino-1-(2-fluoro-3-methylphenyl)ethyl]-3-(3-methyl-2H-indazol-5-yl)benzamide;N-[2-amino-1-(3-methylphenyl)ethyl]-3-cyano-5-(3-methyl-2H-indazol-5-yl)benzamide;N-[2-amino-1-(3-methylphenyl)ethyl]-3-(3-fluoro-2H-indazol-5-yl)benzamide;N-[2-amino-1-(3-methylphenyl)ethyl]-3-(3-fluoro-2H-indazol-5-yl)-5-(pyrrolidin-1-ylmethyl)benzamide;3-(3-fluoro-2H-indazol-5-yl)-N-[2-hydroxy-1-(3-methylphenyl)ethyl]benzamide;3-(3-fluoro-2H-indazol-5-yl)-N-[1-(3-methylphenyl)-2-piperazin-1-ylethyl]benzamide;N-[2-hydroxy-1-(3-methylphenyl)ethyl]-3-(3-methyl-2H-indazol-5-yl)benzamide;3-(3-methyl-2H-indazol-5-yl)-N-[1-(3-methylphenyl)-2-piperazin-1-ylethyl]benzamide
CID 165024967

Frequently Asked Questions

What is the IUPAC name of 7-fluoro-3-(3-fluorophenyl)-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-2H-indazole-5-carboxamide;7-fluoro-3-(3-fluorophenyl)-N-[(2S)-1-hydroxy-4-methylsulfanylbutan-2-yl]-2H-indazole-5-carboxamide;7-fluoro-3-(3-fluorophenyl)-N-[(1S)-2-hydroxy-1-phenylethyl]-2H-indazole-5-carboxamide;7-fluoro-3-(3-fluorophenyl)-N-(2-methylsulfanylethyl)-2H-indazole-5-carboxamide;7-fluoro-3-(3-fluorophenyl)-N-[[(2S)-oxolan-2-yl]methyl]-2H-indazole-5-carboxamide;7-fluoro-3-(3-fluorophenyl)-N-[[(2R)-oxolan-2-yl]methyl]-2H-indazole-5-carboxamide?
The IUPAC name of 7-fluoro-3-(3-fluorophenyl)-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-2H-indazole-5-carboxamide;7-fluoro-3-(3-fluorophenyl)-N-[(2S)-1-hydroxy-4-methylsulfanylbutan-2-yl]-2H-indazole-5-carboxamide;7-fluoro-3-(3-fluorophenyl)-N-[(1S)-2-hydroxy-1-phenylethyl]-2H-indazole-5-carboxamide;7-fluoro-3-(3-fluorophenyl)-N-(2-methylsulfanylethyl)-2H-indazole-5-carboxamide;7-fluoro-3-(3-fluorophenyl)-N-[[(2S)-oxolan-2-yl]methyl]-2H-indazole-5-carboxamide;7-fluoro-3-(3-fluorophenyl)-N-[[(2R)-oxolan-2-yl]methyl]-2H-indazole-5-carboxamide (CID 161424394) is 7-fluoro-3-(3-fluorophenyl)-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-2H-indazole-5-carboxamide;7-fluoro-3-(3-fluorophenyl)-N-[(2S)-1-hydroxy-4-methylsulfanylbutan-2-yl]-2H-indazole-5-carboxamide;7-fluoro-3-(3-fluorophenyl)-N-[(1S)-2-hydroxy-1-phenylethyl]-2H-indazole-5-carboxamide;7-fluoro-3-(3-fluorophenyl)-N-(2-methylsulfanylethyl)-2H-indazole-5-carboxamide;7-fluoro-3-(3-fluorophenyl)-N-[[(2S)-oxolan-2-yl]methyl]-2H-indazole-5-carboxamide;7-fluoro-3-(3-fluorophenyl)-N-[[(2R)-oxolan-2-yl]methyl]-2H-indazole-5-carboxamide.
What is the SMILES notation for 7-fluoro-3-(3-fluorophenyl)-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-2H-indazole-5-carboxamide;7-fluoro-3-(3-fluorophenyl)-N-[(2S)-1-hydroxy-4-methylsulfanylbutan-2-yl]-2H-indazole-5-carboxamide;7-fluoro-3-(3-fluorophenyl)-N-[(1S)-2-hydroxy-1-phenylethyl]-2H-indazole-5-carboxamide;7-fluoro-3-(3-fluorophenyl)-N-(2-methylsulfanylethyl)-2H-indazole-5-carboxamide;7-fluoro-3-(3-fluorophenyl)-N-[[(2S)-oxolan-2-yl]methyl]-2H-indazole-5-carboxamide;7-fluoro-3-(3-fluorophenyl)-N-[[(2R)-oxolan-2-yl]methyl]-2H-indazole-5-carboxamide?
The canonical SMILES for 7-fluoro-3-(3-fluorophenyl)-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-2H-indazole-5-carboxamide;7-fluoro-3-(3-fluorophenyl)-N-[(2S)-1-hydroxy-4-methylsulfanylbutan-2-yl]-2H-indazole-5-carboxamide;7-fluoro-3-(3-fluorophenyl)-N-[(1S)-2-hydroxy-1-phenylethyl]-2H-indazole-5-carboxamide;7-fluoro-3-(3-fluorophenyl)-N-(2-methylsulfanylethyl)-2H-indazole-5-carboxamide;7-fluoro-3-(3-fluorophenyl)-N-[[(2S)-oxolan-2-yl]methyl]-2H-indazole-5-carboxamide;7-fluoro-3-(3-fluorophenyl)-N-[[(2R)-oxolan-2-yl]methyl]-2H-indazole-5-carboxamide is CC(C)[C@@H](CO)NC(=O)c1cc(F)c2n[nH]c(-c3cccc(F)c3)c2c1.CSCCNC(=O)c1cc(F)c2n[nH]c(-c3cccc(F)c3)c2c1.CSCC[C@@H](CO)NC(=O)c1cc(F)c2n[nH]c(-c3cccc(F)c3)c2c1.O=C(NC[C@@H]1CCCO1)c1cc(F)c2n[nH]c(-c3cccc(F)c3)c2c1.O=C(NC[C@H]1CCCO1)c1cc(F)c2n[nH]c(-c3cccc(F)c3)c2c1.O=C(N[C@H](CO)c1ccccc1)c1cc(F)c2n[nH]c(-c3cccc(F)c3)c2c1.
What is the InChIKey of 7-fluoro-3-(3-fluorophenyl)-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-2H-indazole-5-carboxamide;7-fluoro-3-(3-fluorophenyl)-N-[(2S)-1-hydroxy-4-methylsulfanylbutan-2-yl]-2H-indazole-5-carboxamide;7-fluoro-3-(3-fluorophenyl)-N-[(1S)-2-hydroxy-1-phenylethyl]-2H-indazole-5-carboxamide;7-fluoro-3-(3-fluorophenyl)-N-(2-methylsulfanylethyl)-2H-indazole-5-carboxamide;7-fluoro-3-(3-fluorophenyl)-N-[[(2S)-oxolan-2-yl]methyl]-2H-indazole-5-carboxamide;7-fluoro-3-(3-fluorophenyl)-N-[[(2R)-oxolan-2-yl]methyl]-2H-indazole-5-carboxamide?
The InChIKey is VXDYNLKVMVUPQC-GKLMXGEHSA-N. The full InChI is InChI=1S/C22H17F2N3O2.C19H19F2N3O2S.2C19H17F2N3O2.C19H19F2N3O2.C17H15F2N3OS/c23-16-8-4-7-14(9-16)20-17-10-15(11-18(24)21(17)27-26-20)22(29)25-19(12-28)13-5-2-1-3-6-13;1-27-6-5-14(10-25)22-19(26)12-8-15-17(11-3-2-4-13(20)7-11)23-24-18(15)16(21)9-12;2*20-13-4-1-3-11(7-13)17-15-8-12(9-16(21)18(15)24-23-17)19(25)22-10-14-5-2-6-26-14;1-10(2)16(9-25)22-19(26)12-7-14-17(11-4-3-5-13(20)6-11)23-24-18(14)15(21)8-12;1-24-6-5-20-17(23)11-8-13-15(10-3-2-4-12(18)7-10)21-22-16(13)14(19)9-11/h1-11,19,28H,12H2,(H,25,29)(H,26,27);2-4,7-9,14,25H,5-6,10H2,1H3,(H,22,26)(H,23,24);2*1,3-4,7-9,14H,2,5-6,10H2,(H,22,25)(H,23,24);3-8,10,16,25H,9H2,1-2H3,(H,22,26)(H,23,24);2-4,7-9H,5-6H2,1H3,(H,20,23)(H,21,22)/t19-;3*14-;16-;/m10101./s1.
What are the key properties of 7-fluoro-3-(3-fluorophenyl)-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-2H-indazole-5-carboxamide;7-fluoro-3-(3-fluorophenyl)-N-[(2S)-1-hydroxy-4-methylsulfanylbutan-2-yl]-2H-indazole-5-carboxamide;7-fluoro-3-(3-fluorophenyl)-N-[(1S)-2-hydroxy-1-phenylethyl]-2H-indazole-5-carboxamide;7-fluoro-3-(3-fluorophenyl)-N-(2-methylsulfanylethyl)-2H-indazole-5-carboxamide;7-fluoro-3-(3-fluorophenyl)-N-[[(2S)-oxolan-2-yl]methyl]-2H-indazole-5-carboxamide;7-fluoro-3-(3-fluorophenyl)-N-[[(2R)-oxolan-2-yl]methyl]-2H-indazole-5-carboxamide?
7-fluoro-3-(3-fluorophenyl)-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-2H-indazole-5-carboxamide;7-fluoro-3-(3-fluorophenyl)-N-[(2S)-1-hydroxy-4-methylsulfanylbutan-2-yl]-2H-indazole-5-carboxamide;7-fluoro-3-(3-fluorophenyl)-N-[(1S)-2-hydroxy-1-phenylethyl]-2H-indazole-5-carboxamide;7-fluoro-3-(3-fluorophenyl)-N-(2-methylsulfanylethyl)-2H-indazole-5-carboxamide;7-fluoro-3-(3-fluorophenyl)-N-[[(2S)-oxolan-2-yl]methyl]-2H-indazole-5-carboxamide;7-fluoro-3-(3-fluorophenyl)-N-[[(2R)-oxolan-2-yl]methyl]-2H-indazole-5-carboxamide has a molecular weight of 2206.32 g/mol, XLogP of 21.01, 30 rotatable bonds, 15 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-3-(3-fluorophenyl)-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-2H-indazole-5-carboxamide;7-fluoro-3-(3-fluorophenyl)-N-[(2S)-1-hydroxy-4-methylsulfanylbutan-2-yl]-2H-indazole-5-carboxamide;7-fluoro-3-(3-fluorophenyl)-N-[(1S)-2-hydroxy-1-phenylethyl]-2H-indazole-5-carboxamide;7-fluoro-3-(3-fluorophenyl)-N-(2-methylsulfanylethyl)-2H-indazole-5-carboxamide;7-fluoro-3-(3-fluorophenyl)-N-[[(2S)-oxolan-2-yl]methyl]-2H-indazole-5-carboxamide;7-fluoro-3-(3-fluorophenyl)-N-[[(2R)-oxolan-2-yl]methyl]-2H-indazole-5-carboxamide is sourced from PubChem (CID 161424394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).