3-(1-benzothiophen-3-yl)-N-[(1S)-2-hydroxy-1-phenylethyl]-1H-indazole-5-carboxamide;N-[1-(4-chlorophenyl)-2-hydroxyethyl]-3-(3-fluorophenyl)-1H-indazole-5-carboxamide;3-(3-fluorophenyl)-N-[1-(hydroxymethyl)cyclopentyl]-1H-indazole-5-carboxamide;3-(3-fluorophenyl)-N-(2-hydroxy-2-phenylethyl)-1H-indazole-5-carboxamide;3-(3-fluorophenyl)-N-(2-hydroxypropyl)-1H-indazole-5-carboxamide;3-(3-fluorophenyl)-N-[2-hydroxy-1-[4-(trifluoromethyl)phenyl]ethyl]-1H-indazole-5-carboxamide

C128H107ClF8N18O12S — CID 159059086

IUPAC3-(1-benzothiophen-3-yl)-N-[(1S)-2-hydroxy-1-phenylethyl]-1H-indazole-5-carboxamide;N-[1-(4-chlorophenyl)-2-hydroxyethyl]-3-(3-fluorophenyl)-1H-indazole-5-carboxamide;3-(3-fluorophenyl)-N-[1-(hydroxymethyl)cyclopentyl]-1H-indazole-5-carboxamide;3-(3-fluorophenyl)-N-(2-hydroxy-2-phenylethyl)-1H-indazole-5-carboxamide;3-(3-fluorophenyl)-N-(2-hydroxypropyl)-1H-indazole-5-carboxamide;3-(3-fluorophenyl)-N-[2-hydroxy-1-[4-(trifluoromethyl)phenyl]ethyl]-1H-indazole-5-carboxamide
SMILESCC(O)CNC(=O)c1ccc2[nH]nc(-c3cccc(F)c3)c2c1.O=C(NC(CO)c1ccc(C(F)(F)F)cc1)c1ccc2[nH]nc(-c3cccc(F)c3)c2c1.O=C(NC(CO)c1ccc(Cl)cc1)c1ccc2[nH]nc(-c3cccc(F)c3)c2c1.O=C(NC1(CO)CCCC1)c1ccc2[nH]nc(-c3cccc(F)c3)c2c1.O=C(NCC(O)c1ccccc1)c1ccc2[nH]nc(-c3cccc(F)c3)c2c1.O=C(N[C@H](CO)c1ccccc1)c1ccc2[nH]nc(-c3csc4ccccc34)c2c1
InChIInChI=1S/C24H19N3O2S.C23H17F4N3O2.C22H17ClFN3O2.C22H18FN3O2.C20H20FN3O2.C17H16FN3O2/c28-13-21(15-6-2-1-3-7-15)25-24(29)16-10-11-20-18(12-16)23(27-26-20)19-14-30-22-9-5-4-8-17(19)22;24-17-3-1-2-14(10-17)21-18-11-15(6-9-19(18)29-30-21)22(32)28-20(12-31)13-4-7-16(8-5-13)23(25,26)27;23-16-7-4-13(5-8-16)20(12-28)25-22(29)15-6-9-19-18(11-15)21(27-26-19)14-2-1-3-17(24)10-14;23-17-8-4-7-15(11-17)21-18-12-16(9-10-19(18)25-26-21)22(28)24-13-20(27)14-5-2-1-3-6-14;21-15-5-3-4-13(10-15)18-16-11-14(6-7-17(16)23-24-18)19(26)22-20(12-25)8-1-2-9-20;1-10(22)9-19-17(23)12-5-6-15-14(8-12)16(21-20-15)11-3-2-4-13(18)7-11/h1-12,14,21,28H,13H2,(H,25,29)(H,26,27);1-11,20,31H,12H2,(H,28,32)(H,29,30);1-11,20,28H,12H2,(H,25,29)(H,26,27);1-12,20,27H,13H2,(H,24,28)(H,25,26);3-7,10-11,25H,1-2,8-9,12H2,(H,22,26)(H,23,24);2-8,10,22H,9H2,1H3,(H,19,23)(H,20,21)/t21-;;;;;/m1...../s1
InChIKeyJYFQIZUUPWQMOD-RPDSBUJNSA-N
MW2308.88 g/mol
LogP23.96
Rot. Bonds28

About 3-(1-benzothiophen-3-yl)-N-[(1S)-2-hydroxy-1-phenylethyl]-1H-indazole-5-carboxamide;N-[1-(4-chlorophenyl)-2-hydroxyethyl]-3-(3-fluorophenyl)-1H-indazole-5-carboxamide;3-(3-fluorophenyl)-N-[1-(hydroxymethyl)cyclopentyl]-1H-indazole-5-carboxamide;3-(3-fluorophenyl)-N-(2-hydroxy-2-phenylethyl)-1H-indazole-5-carboxamide;3-(3-fluorophenyl)-N-(2-hydroxypropyl)-1H-indazole-5-carboxamide;3-(3-fluorophenyl)-N-[2-hydroxy-1-[4-(trifluoromethyl)phenyl]ethyl]-1H-indazole-5-carboxamide

3-(1-benzothiophen-3-yl)-N-[(1S)-2-hydroxy-1-phenylethyl]-1H-indazole-5-carboxamide;N-[1-(4-chlorophenyl)-2-hydroxyethyl]-3-(3-fluorophenyl)-1H-indazole-5-carboxamide;3-(3-fluorophenyl)-N-[1-(hydroxymethyl)cyclopentyl]-1H-indazole-5-carboxamide;3-(3-fluorophenyl)-N-(2-hydroxy-2-phenylethyl)-1H-indazole-5-carboxamide;3-(3-fluorophenyl)-N-(2-hydroxypropyl)-1H-indazole-5-carboxamide;3-(3-fluorophenyl)-N-[2-hydroxy-1-[4-(trifluoromethyl)phenyl]ethyl]-1H-indazole-5-carboxamide (PubChem CID 159059086) has the molecular formula C128H107ClF8N18O12S and a molecular weight of 2308.88 g/mol. Its IUPAC name is 3-(1-benzothiophen-3-yl)-N-[(1S)-2-hydroxy-1-phenylethyl]-1H-indazole-5-carboxamide;N-[1-(4-chlorophenyl)-2-hydroxyethyl]-3-(3-fluorophenyl)-1H-indazole-5-carboxamide;3-(3-fluorophenyl)-N-[1-(hydroxymethyl)cyclopentyl]-1H-indazole-5-carboxamide;3-(3-fluorophenyl)-N-(2-hydroxy-2-phenylethyl)-1H-indazole-5-carboxamide;3-(3-fluorophenyl)-N-(2-hydroxypropyl)-1H-indazole-5-carboxamide;3-(3-fluorophenyl)-N-[2-hydroxy-1-[4-(trifluoromethyl)phenyl]ethyl]-1H-indazole-5-carboxamide.

Molecular Properties

Compound Name3-(1-benzothiophen-3-yl)-N-[(1S)-2-hydroxy-1-phenylethyl]-1H-indazole-5-carboxamide;N-[1-(4-chlorophenyl)-2-hydroxyethyl]-3-(3-fluorophenyl)-1H-indazole-5-carboxamide;3-(3-fluorophenyl)-N-[1-(hydroxymethyl)cyclopentyl]-1H-indazole-5-carboxamide;3-(3-fluorophenyl)-N-(2-hydroxy-2-phenylethyl)-1H-indazole-5-carboxamide;3-(3-fluorophenyl)-N-(2-hydroxypropyl)-1H-indazole-5-carboxamide;3-(3-fluorophenyl)-N-[2-hydroxy-1-[4-(trifluoromethyl)phenyl]ethyl]-1H-indazole-5-carboxamide
PubChem CID159059086
Molecular FormulaC128H107ClF8N18O12S
Molecular Weight2308.88 g/mol
Exact Mass2306.76
IUPAC Name3-(1-benzothiophen-3-yl)-N-[(1S)-2-hydroxy-1-phenylethyl]-1H-indazole-5-carboxamide;N-[1-(4-chlorophenyl)-2-hydroxyethyl]-3-(3-fluorophenyl)-1H-indazole-5-carboxamide;3-(3-fluorophenyl)-N-[1-(hydroxymethyl)cyclopentyl]-1H-indazole-5-carboxamide;3-(3-fluorophenyl)-N-(2-hydroxy-2-phenylethyl)-1H-indazole-5-carboxamide;3-(3-fluorophenyl)-N-(2-hydroxypropyl)-1H-indazole-5-carboxamide;3-(3-fluorophenyl)-N-[2-hydroxy-1-[4-(trifluoromethyl)phenyl]ethyl]-1H-indazole-5-carboxamide
SMILESCC(O)CNC(=O)c1ccc2[nH]nc(-c3cccc(F)c3)c2c1.O=C(NC(CO)c1ccc(C(F)(F)F)cc1)c1ccc2[nH]nc(-c3cccc(F)c3)c2c1.O=C(NC(CO)c1ccc(Cl)cc1)c1ccc2[nH]nc(-c3cccc(F)c3)c2c1.O=C(NC1(CO)CCCC1)c1ccc2[nH]nc(-c3cccc(F)c3)c2c1.O=C(NCC(O)c1ccccc1)c1ccc2[nH]nc(-c3cccc(F)c3)c2c1.O=C(N[C@H](CO)c1ccccc1)c1ccc2[nH]nc(-c3csc4ccccc34)c2c1
InChIInChI=1S/C24H19N3O2S.C23H17F4N3O2.C22H17ClFN3O2.C22H18FN3O2.C20H20FN3O2.C17H16FN3O2/c28-13-21(15-6-2-1-3-7-15)25-24(29)16-10-11-20-18(12-16)23(27-26-20)19-14-30-22-9-5-4-8-17(19)22;24-17-3-1-2-14(10-17)21-18-11-15(6-9-19(18)29-30-21)22(32)28-20(12-31)13-4-7-16(8-5-13)23(25,26)27;23-16-7-4-13(5-8-16)20(12-28)25-22(29)15-6-9-19-18(11-15)21(27-26-19)14-2-1-3-17(24)10-14;23-17-8-4-7-15(11-17)21-18-12-16(9-10-19(18)25-26-21)22(28)24-13-20(27)14-5-2-1-3-6-14;21-15-5-3-4-13(10-15)18-16-11-14(6-7-17(16)23-24-18)19(26)22-20(12-25)8-1-2-9-20;1-10(22)9-19-17(23)12-5-6-15-14(8-12)16(21-20-15)11-3-2-4-13(18)7-11/h1-12,14,21,28H,13H2,(H,25,29)(H,26,27);1-11,20,31H,12H2,(H,28,32)(H,29,30);1-11,20,28H,12H2,(H,25,29)(H,26,27);1-12,20,27H,13H2,(H,24,28)(H,25,26);3-7,10-11,25H,1-2,8-9,12H2,(H,22,26)(H,23,24);2-8,10,22H,9H2,1H3,(H,19,23)(H,20,21)/t21-;;;;;/m1...../s1
InChIKeyJYFQIZUUPWQMOD-RPDSBUJNSA-N
XLogP23.96
TPSA468.06 Ų
H-Bond Donors18
H-Bond Acceptors19
Rotatable Bonds28
Heavy Atoms168
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002308.88
LogP ≤ 523.96
H-Bond Donors ≤ 518
H-Bond Acceptors ≤ 1019

Analyze 3-(1-benzothiophen-3-yl)-N-[(1S)-2-hydroxy-1-phenylethyl]-1H-indazole-5-carboxamide;N-[1-(4-chlorophenyl)-2-hydroxyethyl]-3-(3-fluorophenyl)-1H-indazole-5-carboxamide;3-(3-fluorophenyl)-N-[1-(hydroxymethyl)cyclopentyl]-1H-indazole-5-carboxamide;3-(3-fluorophenyl)-N-(2-hydroxy-2-phenylethyl)-1H-indazole-5-carboxamide;3-(3-fluorophenyl)-N-(2-hydroxypropyl)-1H-indazole-5-carboxamide;3-(3-fluorophenyl)-N-[2-hydroxy-1-[4-(trifluoromethyl)phenyl]ethyl]-1H-indazole-5-carboxamide with MolForge

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Related Compounds

N-[1-(4-chlorophenyl)-2-hydroxyethyl]-3-(3-fluorophenyl)-1H-indazole-5-carboxamide;3-(3-fluorophenyl)-N-[1-(hydroxymethyl)cyclopentyl]-1H-indazole-5-carboxamide;3-(3-fluorophenyl)-N-(2-hydroxy-2-phenylethyl)-1H-indazole-5-carboxamide;3-(3-fluorophenyl)-N-(2-hydroxypropyl)-1H-indazole-5-carboxamide;3-(3-fluorophenyl)-N-[2-hydroxy-1-[4-(trifluoromethyl)phenyl]ethyl]-1H-indazole-5-carboxamide;N-[(1S)-2-hydroxy-1-phenylethyl]-3-(3H-inden-1-yl)-1H-indazole-5-carboxamide
CID 157143699
N-[1-(4-chlorophenyl)-2-hydroxyethyl]-3-(3-fluorophenyl)-1H-indazole-5-carboxamide;N-(2,3-dihydroxypropyl)-3-(3-fluorophenyl)-1H-indazole-5-carboxamide;3-(3-fluorophenyl)-N-[1-(hydroxymethyl)cyclopentyl]-1H-indazole-5-carboxamide;3-(3-fluorophenyl)-N-(2-hydroxy-2-phenylethyl)-1H-indazole-5-carboxamide;3-(3-fluorophenyl)-N-(2-hydroxypropyl)-1H-indazole-5-carboxamide;3-(3-fluorophenyl)-N-[2-hydroxy-1-[4-(trifluoromethyl)phenyl]ethyl]-1H-indazole-5-carboxamide
CID 160808152
N-(2-acetamidoethyl)-3-(1-benzothiophen-2-yl)-4-fluoro-1H-indazole-5-carboxamide;N-[(2S)-1-amino-1-oxopropan-2-yl]-3-(1-benzothiophen-2-yl)-4-fluoro-1H-indazole-5-carboxamide;3-(1-benzothiophen-2-yl)-4-fluoro-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-1H-indazole-5-carboxamide;3-(1-benzothiophen-2-yl)-4-fluoro-N-(2-thiophen-2-ylethyl)-1H-indazole-5-carboxamide;N-cyclopropyl-4-fluoro-3-naphthalen-2-yl-1H-indazole-5-carboxamide
CID 161803344

Frequently Asked Questions

What is the IUPAC name of 3-(1-benzothiophen-3-yl)-N-[(1S)-2-hydroxy-1-phenylethyl]-1H-indazole-5-carboxamide;N-[1-(4-chlorophenyl)-2-hydroxyethyl]-3-(3-fluorophenyl)-1H-indazole-5-carboxamide;3-(3-fluorophenyl)-N-[1-(hydroxymethyl)cyclopentyl]-1H-indazole-5-carboxamide;3-(3-fluorophenyl)-N-(2-hydroxy-2-phenylethyl)-1H-indazole-5-carboxamide;3-(3-fluorophenyl)-N-(2-hydroxypropyl)-1H-indazole-5-carboxamide;3-(3-fluorophenyl)-N-[2-hydroxy-1-[4-(trifluoromethyl)phenyl]ethyl]-1H-indazole-5-carboxamide?
The IUPAC name of 3-(1-benzothiophen-3-yl)-N-[(1S)-2-hydroxy-1-phenylethyl]-1H-indazole-5-carboxamide;N-[1-(4-chlorophenyl)-2-hydroxyethyl]-3-(3-fluorophenyl)-1H-indazole-5-carboxamide;3-(3-fluorophenyl)-N-[1-(hydroxymethyl)cyclopentyl]-1H-indazole-5-carboxamide;3-(3-fluorophenyl)-N-(2-hydroxy-2-phenylethyl)-1H-indazole-5-carboxamide;3-(3-fluorophenyl)-N-(2-hydroxypropyl)-1H-indazole-5-carboxamide;3-(3-fluorophenyl)-N-[2-hydroxy-1-[4-(trifluoromethyl)phenyl]ethyl]-1H-indazole-5-carboxamide (CID 159059086) is 3-(1-benzothiophen-3-yl)-N-[(1S)-2-hydroxy-1-phenylethyl]-1H-indazole-5-carboxamide;N-[1-(4-chlorophenyl)-2-hydroxyethyl]-3-(3-fluorophenyl)-1H-indazole-5-carboxamide;3-(3-fluorophenyl)-N-[1-(hydroxymethyl)cyclopentyl]-1H-indazole-5-carboxamide;3-(3-fluorophenyl)-N-(2-hydroxy-2-phenylethyl)-1H-indazole-5-carboxamide;3-(3-fluorophenyl)-N-(2-hydroxypropyl)-1H-indazole-5-carboxamide;3-(3-fluorophenyl)-N-[2-hydroxy-1-[4-(trifluoromethyl)phenyl]ethyl]-1H-indazole-5-carboxamide.
What is the SMILES notation for 3-(1-benzothiophen-3-yl)-N-[(1S)-2-hydroxy-1-phenylethyl]-1H-indazole-5-carboxamide;N-[1-(4-chlorophenyl)-2-hydroxyethyl]-3-(3-fluorophenyl)-1H-indazole-5-carboxamide;3-(3-fluorophenyl)-N-[1-(hydroxymethyl)cyclopentyl]-1H-indazole-5-carboxamide;3-(3-fluorophenyl)-N-(2-hydroxy-2-phenylethyl)-1H-indazole-5-carboxamide;3-(3-fluorophenyl)-N-(2-hydroxypropyl)-1H-indazole-5-carboxamide;3-(3-fluorophenyl)-N-[2-hydroxy-1-[4-(trifluoromethyl)phenyl]ethyl]-1H-indazole-5-carboxamide?
The canonical SMILES for 3-(1-benzothiophen-3-yl)-N-[(1S)-2-hydroxy-1-phenylethyl]-1H-indazole-5-carboxamide;N-[1-(4-chlorophenyl)-2-hydroxyethyl]-3-(3-fluorophenyl)-1H-indazole-5-carboxamide;3-(3-fluorophenyl)-N-[1-(hydroxymethyl)cyclopentyl]-1H-indazole-5-carboxamide;3-(3-fluorophenyl)-N-(2-hydroxy-2-phenylethyl)-1H-indazole-5-carboxamide;3-(3-fluorophenyl)-N-(2-hydroxypropyl)-1H-indazole-5-carboxamide;3-(3-fluorophenyl)-N-[2-hydroxy-1-[4-(trifluoromethyl)phenyl]ethyl]-1H-indazole-5-carboxamide is CC(O)CNC(=O)c1ccc2[nH]nc(-c3cccc(F)c3)c2c1.O=C(NC(CO)c1ccc(C(F)(F)F)cc1)c1ccc2[nH]nc(-c3cccc(F)c3)c2c1.O=C(NC(CO)c1ccc(Cl)cc1)c1ccc2[nH]nc(-c3cccc(F)c3)c2c1.O=C(NC1(CO)CCCC1)c1ccc2[nH]nc(-c3cccc(F)c3)c2c1.O=C(NCC(O)c1ccccc1)c1ccc2[nH]nc(-c3cccc(F)c3)c2c1.O=C(N[C@H](CO)c1ccccc1)c1ccc2[nH]nc(-c3csc4ccccc34)c2c1.
What is the InChIKey of 3-(1-benzothiophen-3-yl)-N-[(1S)-2-hydroxy-1-phenylethyl]-1H-indazole-5-carboxamide;N-[1-(4-chlorophenyl)-2-hydroxyethyl]-3-(3-fluorophenyl)-1H-indazole-5-carboxamide;3-(3-fluorophenyl)-N-[1-(hydroxymethyl)cyclopentyl]-1H-indazole-5-carboxamide;3-(3-fluorophenyl)-N-(2-hydroxy-2-phenylethyl)-1H-indazole-5-carboxamide;3-(3-fluorophenyl)-N-(2-hydroxypropyl)-1H-indazole-5-carboxamide;3-(3-fluorophenyl)-N-[2-hydroxy-1-[4-(trifluoromethyl)phenyl]ethyl]-1H-indazole-5-carboxamide?
The InChIKey is JYFQIZUUPWQMOD-RPDSBUJNSA-N. The full InChI is InChI=1S/C24H19N3O2S.C23H17F4N3O2.C22H17ClFN3O2.C22H18FN3O2.C20H20FN3O2.C17H16FN3O2/c28-13-21(15-6-2-1-3-7-15)25-24(29)16-10-11-20-18(12-16)23(27-26-20)19-14-30-22-9-5-4-8-17(19)22;24-17-3-1-2-14(10-17)21-18-11-15(6-9-19(18)29-30-21)22(32)28-20(12-31)13-4-7-16(8-5-13)23(25,26)27;23-16-7-4-13(5-8-16)20(12-28)25-22(29)15-6-9-19-18(11-15)21(27-26-19)14-2-1-3-17(24)10-14;23-17-8-4-7-15(11-17)21-18-12-16(9-10-19(18)25-26-21)22(28)24-13-20(27)14-5-2-1-3-6-14;21-15-5-3-4-13(10-15)18-16-11-14(6-7-17(16)23-24-18)19(26)22-20(12-25)8-1-2-9-20;1-10(22)9-19-17(23)12-5-6-15-14(8-12)16(21-20-15)11-3-2-4-13(18)7-11/h1-12,14,21,28H,13H2,(H,25,29)(H,26,27);1-11,20,31H,12H2,(H,28,32)(H,29,30);1-11,20,28H,12H2,(H,25,29)(H,26,27);1-12,20,27H,13H2,(H,24,28)(H,25,26);3-7,10-11,25H,1-2,8-9,12H2,(H,22,26)(H,23,24);2-8,10,22H,9H2,1H3,(H,19,23)(H,20,21)/t21-;;;;;/m1...../s1.
What are the key properties of 3-(1-benzothiophen-3-yl)-N-[(1S)-2-hydroxy-1-phenylethyl]-1H-indazole-5-carboxamide;N-[1-(4-chlorophenyl)-2-hydroxyethyl]-3-(3-fluorophenyl)-1H-indazole-5-carboxamide;3-(3-fluorophenyl)-N-[1-(hydroxymethyl)cyclopentyl]-1H-indazole-5-carboxamide;3-(3-fluorophenyl)-N-(2-hydroxy-2-phenylethyl)-1H-indazole-5-carboxamide;3-(3-fluorophenyl)-N-(2-hydroxypropyl)-1H-indazole-5-carboxamide;3-(3-fluorophenyl)-N-[2-hydroxy-1-[4-(trifluoromethyl)phenyl]ethyl]-1H-indazole-5-carboxamide?
3-(1-benzothiophen-3-yl)-N-[(1S)-2-hydroxy-1-phenylethyl]-1H-indazole-5-carboxamide;N-[1-(4-chlorophenyl)-2-hydroxyethyl]-3-(3-fluorophenyl)-1H-indazole-5-carboxamide;3-(3-fluorophenyl)-N-[1-(hydroxymethyl)cyclopentyl]-1H-indazole-5-carboxamide;3-(3-fluorophenyl)-N-(2-hydroxy-2-phenylethyl)-1H-indazole-5-carboxamide;3-(3-fluorophenyl)-N-(2-hydroxypropyl)-1H-indazole-5-carboxamide;3-(3-fluorophenyl)-N-[2-hydroxy-1-[4-(trifluoromethyl)phenyl]ethyl]-1H-indazole-5-carboxamide has a molecular weight of 2308.88 g/mol, XLogP of 23.96, 28 rotatable bonds, 18 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-benzothiophen-3-yl)-N-[(1S)-2-hydroxy-1-phenylethyl]-1H-indazole-5-carboxamide;N-[1-(4-chlorophenyl)-2-hydroxyethyl]-3-(3-fluorophenyl)-1H-indazole-5-carboxamide;3-(3-fluorophenyl)-N-[1-(hydroxymethyl)cyclopentyl]-1H-indazole-5-carboxamide;3-(3-fluorophenyl)-N-(2-hydroxy-2-phenylethyl)-1H-indazole-5-carboxamide;3-(3-fluorophenyl)-N-(2-hydroxypropyl)-1H-indazole-5-carboxamide;3-(3-fluorophenyl)-N-[2-hydroxy-1-[4-(trifluoromethyl)phenyl]ethyl]-1H-indazole-5-carboxamide is sourced from PubChem (CID 159059086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).