4-fluoro-3-(3-fluorophenyl)-N-[(1S)-2-hydroxy-1-phenylethyl]-1H-indazole-5-carboxamide;4-fluoro-3-(3-fluorophenyl)-N-[(3R)-2-oxooxolan-3-yl]-1H-indazole-5-carboxamide;4-fluoro-3-(3-fluorophenyl)-N-[2-(1,3-thiazol-2-yl)ethyl]-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-[(3R)-2-oxooxolan-3-yl]-1H-indazole-5-carboxamide;3-(3-fluorophenyl)-6-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]-1H-indazole-5-carboxamide

C121H97F9N20O12S2 — CID 160797271

IUPAC4-fluoro-3-(3-fluorophenyl)-N-[(1S)-2-hydroxy-1-phenylethyl]-1H-indazole-5-carboxamide;4-fluoro-3-(3-fluorophenyl)-N-[(3R)-2-oxooxolan-3-yl]-1H-indazole-5-carboxamide;4-fluoro-3-(3-fluorophenyl)-N-[2-(1,3-thiazol-2-yl)ethyl]-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-[(3R)-2-oxooxolan-3-yl]-1H-indazole-5-carboxamide;3-(3-fluorophenyl)-6-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]-1H-indazole-5-carboxamide
SMILESCc1cc2[nH]nc(-c3cccc(F)c3)c2cc1C(=O)NCCc1nccs1.Cc1cc2[nH]nc(-c3cccc(F)c3)c2cc1C(=O)N[C@@H]1CCOC1=O.Cc1cc2[nH]nc(-c3cccc(F)c3)c2cc1C(=O)N[C@H](CO)c1ccccc1.O=C(NCCc1nccs1)c1ccc2[nH]nc(-c3cccc(F)c3)c2c1F.O=C(N[C@@H]1CCOC1=O)c1ccc2[nH]nc(-c3cccc(F)c3)c2c1F.O=C(N[C@H](CO)c1ccccc1)c1ccc2[nH]nc(-c3cccc(F)c3)c2c1F
InChIInChI=1S/C23H20FN3O2.C22H17F2N3O2.C20H17FN4OS.C19H14F2N4OS.C19H16FN3O3.C18H13F2N3O3/c1-14-10-20-19(22(27-26-20)16-8-5-9-17(24)11-16)12-18(14)23(29)25-21(13-28)15-6-3-2-4-7-15;23-15-8-4-7-14(11-15)21-19-17(26-27-21)10-9-16(20(19)24)22(29)25-18(12-28)13-5-2-1-3-6-13;1-12-9-17-16(19(25-24-17)13-3-2-4-14(21)10-13)11-15(12)20(26)23-6-5-18-22-7-8-27-18;20-12-3-1-2-11(10-12)18-16-14(24-25-18)5-4-13(17(16)21)19(26)23-7-6-15-22-8-9-27-15;1-10-7-16-14(17(23-22-16)11-3-2-4-12(20)8-11)9-13(10)18(24)21-15-5-6-26-19(15)25;19-10-3-1-2-9(8-10)16-14-12(22-23-16)5-4-11(15(14)20)17(24)21-13-6-7-26-18(13)25/h2-12,21,28H,13H2,1H3,(H,25,29)(H,26,27);1-11,18,28H,12H2,(H,25,29)(H,26,27);2-4,7-11H,5-6H2,1H3,(H,23,26)(H,24,25);1-5,8-10H,6-7H2,(H,23,26)(H,24,25);2-4,7-9,15H,5-6H2,1H3,(H,21,24)(H,22,23);1-5,8,13H,6-7H2,(H,21,24)(H,22,23)/t21-;18-;;;15-;13-/m11..11/s1
InChIKeySCPIDCBOKBXOEL-HOOPYHQHSA-N
MW2258.35 g/mol
LogP21.43
Rot. Bonds26

About 4-fluoro-3-(3-fluorophenyl)-N-[(1S)-2-hydroxy-1-phenylethyl]-1H-indazole-5-carboxamide;4-fluoro-3-(3-fluorophenyl)-N-[(3R)-2-oxooxolan-3-yl]-1H-indazole-5-carboxamide;4-fluoro-3-(3-fluorophenyl)-N-[2-(1,3-thiazol-2-yl)ethyl]-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-[(3R)-2-oxooxolan-3-yl]-1H-indazole-5-carboxamide;3-(3-fluorophenyl)-6-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]-1H-indazole-5-carboxamide

4-fluoro-3-(3-fluorophenyl)-N-[(1S)-2-hydroxy-1-phenylethyl]-1H-indazole-5-carboxamide;4-fluoro-3-(3-fluorophenyl)-N-[(3R)-2-oxooxolan-3-yl]-1H-indazole-5-carboxamide;4-fluoro-3-(3-fluorophenyl)-N-[2-(1,3-thiazol-2-yl)ethyl]-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-[(3R)-2-oxooxolan-3-yl]-1H-indazole-5-carboxamide;3-(3-fluorophenyl)-6-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]-1H-indazole-5-carboxamide (PubChem CID 160797271) has the molecular formula C121H97F9N20O12S2 and a molecular weight of 2258.35 g/mol. Its IUPAC name is 4-fluoro-3-(3-fluorophenyl)-N-[(1S)-2-hydroxy-1-phenylethyl]-1H-indazole-5-carboxamide;4-fluoro-3-(3-fluorophenyl)-N-[(3R)-2-oxooxolan-3-yl]-1H-indazole-5-carboxamide;4-fluoro-3-(3-fluorophenyl)-N-[2-(1,3-thiazol-2-yl)ethyl]-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-[(3R)-2-oxooxolan-3-yl]-1H-indazole-5-carboxamide;3-(3-fluorophenyl)-6-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]-1H-indazole-5-carboxamide.

Molecular Properties

Compound Name4-fluoro-3-(3-fluorophenyl)-N-[(1S)-2-hydroxy-1-phenylethyl]-1H-indazole-5-carboxamide;4-fluoro-3-(3-fluorophenyl)-N-[(3R)-2-oxooxolan-3-yl]-1H-indazole-5-carboxamide;4-fluoro-3-(3-fluorophenyl)-N-[2-(1,3-thiazol-2-yl)ethyl]-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-[(3R)-2-oxooxolan-3-yl]-1H-indazole-5-carboxamide;3-(3-fluorophenyl)-6-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]-1H-indazole-5-carboxamide
PubChem CID160797271
Molecular FormulaC121H97F9N20O12S2
Molecular Weight2258.35 g/mol
Exact Mass2256.69
IUPAC Name4-fluoro-3-(3-fluorophenyl)-N-[(1S)-2-hydroxy-1-phenylethyl]-1H-indazole-5-carboxamide;4-fluoro-3-(3-fluorophenyl)-N-[(3R)-2-oxooxolan-3-yl]-1H-indazole-5-carboxamide;4-fluoro-3-(3-fluorophenyl)-N-[2-(1,3-thiazol-2-yl)ethyl]-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-[(3R)-2-oxooxolan-3-yl]-1H-indazole-5-carboxamide;3-(3-fluorophenyl)-6-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]-1H-indazole-5-carboxamide
SMILESCc1cc2[nH]nc(-c3cccc(F)c3)c2cc1C(=O)NCCc1nccs1.Cc1cc2[nH]nc(-c3cccc(F)c3)c2cc1C(=O)N[C@@H]1CCOC1=O.Cc1cc2[nH]nc(-c3cccc(F)c3)c2cc1C(=O)N[C@H](CO)c1ccccc1.O=C(NCCc1nccs1)c1ccc2[nH]nc(-c3cccc(F)c3)c2c1F.O=C(N[C@@H]1CCOC1=O)c1ccc2[nH]nc(-c3cccc(F)c3)c2c1F.O=C(N[C@H](CO)c1ccccc1)c1ccc2[nH]nc(-c3cccc(F)c3)c2c1F
InChIInChI=1S/C23H20FN3O2.C22H17F2N3O2.C20H17FN4OS.C19H14F2N4OS.C19H16FN3O3.C18H13F2N3O3/c1-14-10-20-19(22(27-26-20)16-8-5-9-17(24)11-16)12-18(14)23(29)25-21(13-28)15-6-3-2-4-7-15;23-15-8-4-7-14(11-15)21-19-17(26-27-21)10-9-16(20(19)24)22(29)25-18(12-28)13-5-2-1-3-6-13;1-12-9-17-16(19(25-24-17)13-3-2-4-14(21)10-13)11-15(12)20(26)23-6-5-18-22-7-8-27-18;20-12-3-1-2-11(10-12)18-16-14(24-25-18)5-4-13(17(16)21)19(26)23-7-6-15-22-8-9-27-15;1-10-7-16-14(17(23-22-16)11-3-2-4-12(20)8-11)9-13(10)18(24)21-15-5-6-26-19(15)25;19-10-3-1-2-9(8-10)16-14-12(22-23-16)5-4-11(15(14)20)17(24)21-13-6-7-26-18(13)25/h2-12,21,28H,13H2,1H3,(H,25,29)(H,26,27);1-11,18,28H,12H2,(H,25,29)(H,26,27);2-4,7-11H,5-6H2,1H3,(H,23,26)(H,24,25);1-5,8-10H,6-7H2,(H,23,26)(H,24,25);2-4,7-9,15H,5-6H2,1H3,(H,21,24)(H,22,23);1-5,8,13H,6-7H2,(H,21,24)(H,22,23)/t21-;18-;;;15-;13-/m11..11/s1
InChIKeySCPIDCBOKBXOEL-HOOPYHQHSA-N
XLogP21.43
TPSA465.52 Ų
H-Bond Donors14
H-Bond Acceptors22
Rotatable Bonds26
Heavy Atoms164
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002258.35
LogP ≤ 521.43
H-Bond Donors ≤ 514
H-Bond Acceptors ≤ 1022

Analyze 4-fluoro-3-(3-fluorophenyl)-N-[(1S)-2-hydroxy-1-phenylethyl]-1H-indazole-5-carboxamide;4-fluoro-3-(3-fluorophenyl)-N-[(3R)-2-oxooxolan-3-yl]-1H-indazole-5-carboxamide;4-fluoro-3-(3-fluorophenyl)-N-[2-(1,3-thiazol-2-yl)ethyl]-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-[(3R)-2-oxooxolan-3-yl]-1H-indazole-5-carboxamide;3-(3-fluorophenyl)-6-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]-1H-indazole-5-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-3-(3-fluorophenyl)-N-[(1S)-2-hydroxy-1-phenylethyl]-1H-indazole-5-carboxamide;4-fluoro-3-(3-fluorophenyl)-N-[(3R)-2-oxooxolan-3-yl]-1H-indazole-5-carboxamide;4-fluoro-3-(3-fluorophenyl)-N-[2-(1,3-thiazol-2-yl)ethyl]-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-[(3R)-2-oxooxolan-3-yl]-1H-indazole-5-carboxamide;3-(3-fluorophenyl)-6-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]-1H-indazole-5-carboxamide?
The IUPAC name of 4-fluoro-3-(3-fluorophenyl)-N-[(1S)-2-hydroxy-1-phenylethyl]-1H-indazole-5-carboxamide;4-fluoro-3-(3-fluorophenyl)-N-[(3R)-2-oxooxolan-3-yl]-1H-indazole-5-carboxamide;4-fluoro-3-(3-fluorophenyl)-N-[2-(1,3-thiazol-2-yl)ethyl]-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-[(3R)-2-oxooxolan-3-yl]-1H-indazole-5-carboxamide;3-(3-fluorophenyl)-6-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]-1H-indazole-5-carboxamide (CID 160797271) is 4-fluoro-3-(3-fluorophenyl)-N-[(1S)-2-hydroxy-1-phenylethyl]-1H-indazole-5-carboxamide;4-fluoro-3-(3-fluorophenyl)-N-[(3R)-2-oxooxolan-3-yl]-1H-indazole-5-carboxamide;4-fluoro-3-(3-fluorophenyl)-N-[2-(1,3-thiazol-2-yl)ethyl]-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-[(3R)-2-oxooxolan-3-yl]-1H-indazole-5-carboxamide;3-(3-fluorophenyl)-6-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]-1H-indazole-5-carboxamide.
What is the SMILES notation for 4-fluoro-3-(3-fluorophenyl)-N-[(1S)-2-hydroxy-1-phenylethyl]-1H-indazole-5-carboxamide;4-fluoro-3-(3-fluorophenyl)-N-[(3R)-2-oxooxolan-3-yl]-1H-indazole-5-carboxamide;4-fluoro-3-(3-fluorophenyl)-N-[2-(1,3-thiazol-2-yl)ethyl]-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-[(3R)-2-oxooxolan-3-yl]-1H-indazole-5-carboxamide;3-(3-fluorophenyl)-6-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]-1H-indazole-5-carboxamide?
The canonical SMILES for 4-fluoro-3-(3-fluorophenyl)-N-[(1S)-2-hydroxy-1-phenylethyl]-1H-indazole-5-carboxamide;4-fluoro-3-(3-fluorophenyl)-N-[(3R)-2-oxooxolan-3-yl]-1H-indazole-5-carboxamide;4-fluoro-3-(3-fluorophenyl)-N-[2-(1,3-thiazol-2-yl)ethyl]-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-[(3R)-2-oxooxolan-3-yl]-1H-indazole-5-carboxamide;3-(3-fluorophenyl)-6-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]-1H-indazole-5-carboxamide is Cc1cc2[nH]nc(-c3cccc(F)c3)c2cc1C(=O)NCCc1nccs1.Cc1cc2[nH]nc(-c3cccc(F)c3)c2cc1C(=O)N[C@@H]1CCOC1=O.Cc1cc2[nH]nc(-c3cccc(F)c3)c2cc1C(=O)N[C@H](CO)c1ccccc1.O=C(NCCc1nccs1)c1ccc2[nH]nc(-c3cccc(F)c3)c2c1F.O=C(N[C@@H]1CCOC1=O)c1ccc2[nH]nc(-c3cccc(F)c3)c2c1F.O=C(N[C@H](CO)c1ccccc1)c1ccc2[nH]nc(-c3cccc(F)c3)c2c1F.
What is the InChIKey of 4-fluoro-3-(3-fluorophenyl)-N-[(1S)-2-hydroxy-1-phenylethyl]-1H-indazole-5-carboxamide;4-fluoro-3-(3-fluorophenyl)-N-[(3R)-2-oxooxolan-3-yl]-1H-indazole-5-carboxamide;4-fluoro-3-(3-fluorophenyl)-N-[2-(1,3-thiazol-2-yl)ethyl]-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-[(3R)-2-oxooxolan-3-yl]-1H-indazole-5-carboxamide;3-(3-fluorophenyl)-6-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]-1H-indazole-5-carboxamide?
The InChIKey is SCPIDCBOKBXOEL-HOOPYHQHSA-N. The full InChI is InChI=1S/C23H20FN3O2.C22H17F2N3O2.C20H17FN4OS.C19H14F2N4OS.C19H16FN3O3.C18H13F2N3O3/c1-14-10-20-19(22(27-26-20)16-8-5-9-17(24)11-16)12-18(14)23(29)25-21(13-28)15-6-3-2-4-7-15;23-15-8-4-7-14(11-15)21-19-17(26-27-21)10-9-16(20(19)24)22(29)25-18(12-28)13-5-2-1-3-6-13;1-12-9-17-16(19(25-24-17)13-3-2-4-14(21)10-13)11-15(12)20(26)23-6-5-18-22-7-8-27-18;20-12-3-1-2-11(10-12)18-16-14(24-25-18)5-4-13(17(16)21)19(26)23-7-6-15-22-8-9-27-15;1-10-7-16-14(17(23-22-16)11-3-2-4-12(20)8-11)9-13(10)18(24)21-15-5-6-26-19(15)25;19-10-3-1-2-9(8-10)16-14-12(22-23-16)5-4-11(15(14)20)17(24)21-13-6-7-26-18(13)25/h2-12,21,28H,13H2,1H3,(H,25,29)(H,26,27);1-11,18,28H,12H2,(H,25,29)(H,26,27);2-4,7-11H,5-6H2,1H3,(H,23,26)(H,24,25);1-5,8-10H,6-7H2,(H,23,26)(H,24,25);2-4,7-9,15H,5-6H2,1H3,(H,21,24)(H,22,23);1-5,8,13H,6-7H2,(H,21,24)(H,22,23)/t21-;18-;;;15-;13-/m11..11/s1.
What are the key properties of 4-fluoro-3-(3-fluorophenyl)-N-[(1S)-2-hydroxy-1-phenylethyl]-1H-indazole-5-carboxamide;4-fluoro-3-(3-fluorophenyl)-N-[(3R)-2-oxooxolan-3-yl]-1H-indazole-5-carboxamide;4-fluoro-3-(3-fluorophenyl)-N-[2-(1,3-thiazol-2-yl)ethyl]-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-[(3R)-2-oxooxolan-3-yl]-1H-indazole-5-carboxamide;3-(3-fluorophenyl)-6-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]-1H-indazole-5-carboxamide?
4-fluoro-3-(3-fluorophenyl)-N-[(1S)-2-hydroxy-1-phenylethyl]-1H-indazole-5-carboxamide;4-fluoro-3-(3-fluorophenyl)-N-[(3R)-2-oxooxolan-3-yl]-1H-indazole-5-carboxamide;4-fluoro-3-(3-fluorophenyl)-N-[2-(1,3-thiazol-2-yl)ethyl]-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-[(3R)-2-oxooxolan-3-yl]-1H-indazole-5-carboxamide;3-(3-fluorophenyl)-6-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]-1H-indazole-5-carboxamide has a molecular weight of 2258.35 g/mol, XLogP of 21.43, 26 rotatable bonds, 14 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-3-(3-fluorophenyl)-N-[(1S)-2-hydroxy-1-phenylethyl]-1H-indazole-5-carboxamide;4-fluoro-3-(3-fluorophenyl)-N-[(3R)-2-oxooxolan-3-yl]-1H-indazole-5-carboxamide;4-fluoro-3-(3-fluorophenyl)-N-[2-(1,3-thiazol-2-yl)ethyl]-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-[(3R)-2-oxooxolan-3-yl]-1H-indazole-5-carboxamide;3-(3-fluorophenyl)-6-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]-1H-indazole-5-carboxamide is sourced from PubChem (CID 160797271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).