N-[(2S)-1-amino-1-oxopropan-2-yl]-6-fluoro-3-[(E)-2-(3-fluorophenyl)ethenyl]-1H-indazole-5-carboxamide;tert-butyl N-[6-fluoro-3-[(E)-2-(3-fluorophenyl)ethenyl]-1-methylindazol-5-yl]carbamate;N-[(2S)-1-chloro-3-methylbutan-2-yl]-6-fluoro-3-[(E)-2-(3-fluorophenyl)ethenyl]-1H-indazole-5-carboxamide;6-fluoro-3-[(E)-2-(3-fluorophenyl)ethenyl]-1-methylindazole-5-carboxylic acid;6-fluoro-3-[(E)-2-(3-fluorophenyl)ethenyl]-N-(pyridin-3-ylmethyl)-1H-indazole-5-carboxamide

C100H84ClF10N16O8+ — CID 162263908

About N-[(2S)-1-amino-1-oxopropan-2-yl]-6-fluoro-3-[(E)-2-(3-fluorophenyl)ethenyl]-1H-indazole-5-carboxamide;tert-butyl N-[6-fluoro-3-[(E)-2-(3-fluorophenyl)ethenyl]-1-methylindazol-5-yl]carbamate;N-[(2S)-1-chloro-3-methylbutan-2-yl]-6-fluoro-3-[(E)-2-(3-fluorophenyl)ethenyl]-1H-indazole-5-carboxamide;6-fluoro-3-[(E)-2-(3-fluorophenyl)ethenyl]-1-methylindazole-5-carboxylic acid;6-fluoro-3-[(E)-2-(3-fluorophenyl)ethenyl]-N-(pyridin-3-ylmethyl)-1H-indazole-5-carboxamide

N-[(2S)-1-amino-1-oxopropan-2-yl]-6-fluoro-3-[(E)-2-(3-fluorophenyl)ethenyl]-1H-indazole-5-carboxamide;tert-butyl N-[6-fluoro-3-[(E)-2-(3-fluorophenyl)ethenyl]-1-methylindazol-5-yl]carbamate;N-[(2S)-1-chloro-3-methylbutan-2-yl]-6-fluoro-3-[(E)-2-(3-fluorophenyl)ethenyl]-1H-indazole-5-carboxamide;6-fluoro-3-[(E)-2-(3-fluorophenyl)ethenyl]-1-methylindazole-5-carboxylic acid;6-fluoro-3-[(E)-2-(3-fluorophenyl)ethenyl]-N-(pyridin-3-ylmethyl)-1H-indazole-5-carboxamide (PubChem CID 162263908) has the molecular formula C100H84ClF10N16O8+ and a molecular weight of 1863.31 g/mol. Its IUPAC name is N-[(2S)-1-amino-1-oxopropan-2-yl]-6-fluoro-3-[(E)-2-(3-fluorophenyl)ethenyl]-1H-indazole-5-carboxamide;tert-butyl N-[6-fluoro-3-[(E)-2-(3-fluorophenyl)ethenyl]-1-methylindazol-5-yl]carbamate;N-[(2S)-1-chloro-3-methylbutan-2-yl]-6-fluoro-3-[(E)-2-(3-fluorophenyl)ethenyl]-1H-indazole-5-carboxamide;6-fluoro-3-[(E)-2-(3-fluorophenyl)ethenyl]-1-methylindazole-5-carboxylic acid;6-fluoro-3-[(E)-2-(3-fluorophenyl)ethenyl]-N-(pyridin-3-ylmethyl)-1H-indazole-5-carboxamide.

Molecular Properties

• Compound Name: N-[(2S)-1-amino-1-oxopropan-2-yl]-6-fluoro-3-[(E)-2-(3-fluorophenyl)ethenyl]-1H-indazole-5-carboxamide;tert-butyl N-[6-fluoro-3-[(E)-2-(3-fluorophenyl)ethenyl]-1-methylindazol-5-yl]carbamate;N-[(2S)-1-chloro-3-methylbutan-2-yl]-6-fluoro-3-[(E)-2-(3-fluorophenyl)ethenyl]-1H-indazole-5-carboxamide;6-fluoro-3-[(E)-2-(3-fluorophenyl)ethenyl]-1-methylindazole-5-carboxylic acid;6-fluoro-3-[(E)-2-(3-fluorophenyl)ethenyl]-N-(pyridin-3-ylmethyl)-1H-indazole-5-carboxamide
• PubChem CID: 162263908
• Molecular Formula: C100H84ClF10N16O8+
• Molecular Weight: 1863.31 g/mol
• Exact Mass: 1861.62
• IUPAC Name: N-[(2S)-1-amino-1-oxopropan-2-yl]-6-fluoro-3-[(E)-2-(3-fluorophenyl)ethenyl]-1H-indazole-5-carboxamide;tert-butyl N-[6-fluoro-3-[(E)-2-(3-fluorophenyl)ethenyl]-1-methylindazol-5-yl]carbamate;N-[(2S)-1-chloro-3-methylbutan-2-yl]-6-fluoro-3-[(E)-2-(3-fluorophenyl)ethenyl]-1H-indazole-5-carboxamide;6-fluoro-3-[(E)-2-(3-fluorophenyl)ethenyl]-1-methylindazole-5-carboxylic acid;6-fluoro-3-[(E)-2-(3-fluorophenyl)ethenyl]-N-(pyridin-3-ylmethyl)-1H-indazole-5-carboxamide
• SMILES: C[C@H](NC(=O)c1cc2c(/C=C/c3cccc(F)c3)n[nH]c2cc1F)C(N)=O.Cn1nc(/C=C/c2cccc(F)c2)c2cc(C(=O)O)c(F)cc21.Cn1nc(/C=C/c2cccc(F)c2)c2cc(NC(=O)OC(C)(C)C)c(F)cc21.O=C(NCc1cccnc1)c1cc2c(/C=C/c3cccc(F)c3)n[nH]c2cc1F.[CH2+]C(C)[C@@H](CCl)NC(=O)c1cc2c(/C=C/c3cccc(F)c3)n[nH]c2cc1F
• InChI: InChI=1S/C22H16F2N4O.C21H18ClF2N3O.C21H21F2N3O2.C19H16F2N4O2.C17H12F2N2O2/c23-16-5-1-3-14(9-16)6-7-20-18-10-17(19(24)11-21(18)28-27-20)22(29)26-13-15-4-2-8-25-12-15;1-12(2)20(11-22)25-21(28)15-9-16-18(26-27-19(16)10-17(15)24)7-6-13-4-3-5-14(23)8-13;1-21(2,3)28-20(27)24-18-11-15-17(25-26(4)19(15)12-16(18)23)9-8-13-6-5-7-14(22)10-13;1-10(18(22)26)23-19(27)13-8-14-16(24-25-17(14)9-15(13)21)6-5-11-3-2-4-12(20)7-11;1-21-16-9-14(19)12(17(22)23)8-13(16)15(20-21)6-5-10-3-2-4-11(18)7-10/h1-12H,13H2,(H,26,29)(H,27,28);3-10,12,20H,1,11H2,2H3,(H-,25,26,27,28);5-12H,1-4H3,(H,24,27);2-10H,1H3,(H2,22,26)(H,23,27)(H,24,25);2-9H,1H3,(H,22,23)/p+1/b2*7-6+;9-8+;2*6-5+/t;12?,20-;;10-;/m.1.0./s1
• InChIKey: ZZQCEDGVNJIARD-QPQGAUCOSA-O
• XLogP: 20.86
• TPSA: 340.59 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 15
• Rotatable Bonds: 22
• Heavy Atoms: 135
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1863.31
LogP ≤ 5	20.86
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	15

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-amino-1-oxopropan-2-yl]-6-fluoro-3-[(E)-2-(3-fluorophenyl)ethenyl]-1H-indazole-5-carboxamide;tert-butyl N-[6-fluoro-3-[(E)-2-(3-fluorophenyl)ethenyl]-1-methylindazol-5-yl]carbamate;N-[(2S)-1-chloro-3-methylbutan-2-yl]-6-fluoro-3-[(E)-2-(3-fluorophenyl)ethenyl]-1H-indazole-5-carboxamide;6-fluoro-3-[(E)-2-(3-fluorophenyl)ethenyl]-1-methylindazole-5-carboxylic acid;6-fluoro-3-[(E)-2-(3-fluorophenyl)ethenyl]-N-(pyridin-3-ylmethyl)-1H-indazole-5-carboxamide?

The IUPAC name of N-[(2S)-1-amino-1-oxopropan-2-yl]-6-fluoro-3-[(E)-2-(3-fluorophenyl)ethenyl]-1H-indazole-5-carboxamide;tert-butyl N-[6-fluoro-3-[(E)-2-(3-fluorophenyl)ethenyl]-1-methylindazol-5-yl]carbamate;N-[(2S)-1-chloro-3-methylbutan-2-yl]-6-fluoro-3-[(E)-2-(3-fluorophenyl)ethenyl]-1H-indazole-5-carboxamide;6-fluoro-3-[(E)-2-(3-fluorophenyl)ethenyl]-1-methylindazole-5-carboxylic acid;6-fluoro-3-[(E)-2-(3-fluorophenyl)ethenyl]-N-(pyridin-3-ylmethyl)-1H-indazole-5-carboxamide (CID 162263908) is N-[(2S)-1-amino-1-oxopropan-2-yl]-6-fluoro-3-[(E)-2-(3-fluorophenyl)ethenyl]-1H-indazole-5-carboxamide;tert-butyl N-[6-fluoro-3-[(E)-2-(3-fluorophenyl)ethenyl]-1-methylindazol-5-yl]carbamate;N-[(2S)-1-chloro-3-methylbutan-2-yl]-6-fluoro-3-[(E)-2-(3-fluorophenyl)ethenyl]-1H-indazole-5-carboxamide;6-fluoro-3-[(E)-2-(3-fluorophenyl)ethenyl]-1-methylindazole-5-carboxylic acid;6-fluoro-3-[(E)-2-(3-fluorophenyl)ethenyl]-N-(pyridin-3-ylmethyl)-1H-indazole-5-carboxamide.

What is the SMILES notation for N-[(2S)-1-amino-1-oxopropan-2-yl]-6-fluoro-3-[(E)-2-(3-fluorophenyl)ethenyl]-1H-indazole-5-carboxamide;tert-butyl N-[6-fluoro-3-[(E)-2-(3-fluorophenyl)ethenyl]-1-methylindazol-5-yl]carbamate;N-[(2S)-1-chloro-3-methylbutan-2-yl]-6-fluoro-3-[(E)-2-(3-fluorophenyl)ethenyl]-1H-indazole-5-carboxamide;6-fluoro-3-[(E)-2-(3-fluorophenyl)ethenyl]-1-methylindazole-5-carboxylic acid;6-fluoro-3-[(E)-2-(3-fluorophenyl)ethenyl]-N-(pyridin-3-ylmethyl)-1H-indazole-5-carboxamide?

The canonical SMILES for N-[(2S)-1-amino-1-oxopropan-2-yl]-6-fluoro-3-[(E)-2-(3-fluorophenyl)ethenyl]-1H-indazole-5-carboxamide;tert-butyl N-[6-fluoro-3-[(E)-2-(3-fluorophenyl)ethenyl]-1-methylindazol-5-yl]carbamate;N-[(2S)-1-chloro-3-methylbutan-2-yl]-6-fluoro-3-[(E)-2-(3-fluorophenyl)ethenyl]-1H-indazole-5-carboxamide;6-fluoro-3-[(E)-2-(3-fluorophenyl)ethenyl]-1-methylindazole-5-carboxylic acid;6-fluoro-3-[(E)-2-(3-fluorophenyl)ethenyl]-N-(pyridin-3-ylmethyl)-1H-indazole-5-carboxamide is C[C@H](NC(=O)c1cc2c(/C=C/c3cccc(F)c3)n[nH]c2cc1F)C(N)=O.Cn1nc(/C=C/c2cccc(F)c2)c2cc(C(=O)O)c(F)cc21.Cn1nc(/C=C/c2cccc(F)c2)c2cc(NC(=O)OC(C)(C)C)c(F)cc21.O=C(NCc1cccnc1)c1cc2c(/C=C/c3cccc(F)c3)n[nH]c2cc1F.[CH2+]C(C)[C@@H](CCl)NC(=O)c1cc2c(/C=C/c3cccc(F)c3)n[nH]c2cc1F.

What is the InChIKey of N-[(2S)-1-amino-1-oxopropan-2-yl]-6-fluoro-3-[(E)-2-(3-fluorophenyl)ethenyl]-1H-indazole-5-carboxamide;tert-butyl N-[6-fluoro-3-[(E)-2-(3-fluorophenyl)ethenyl]-1-methylindazol-5-yl]carbamate;N-[(2S)-1-chloro-3-methylbutan-2-yl]-6-fluoro-3-[(E)-2-(3-fluorophenyl)ethenyl]-1H-indazole-5-carboxamide;6-fluoro-3-[(E)-2-(3-fluorophenyl)ethenyl]-1-methylindazole-5-carboxylic acid;6-fluoro-3-[(E)-2-(3-fluorophenyl)ethenyl]-N-(pyridin-3-ylmethyl)-1H-indazole-5-carboxamide?

The InChIKey is ZZQCEDGVNJIARD-QPQGAUCOSA-O. The full InChI is InChI=1S/C22H16F2N4O.C21H18ClF2N3O.C21H21F2N3O2.C19H16F2N4O2.C17H12F2N2O2/c23-16-5-1-3-14(9-16)6-7-20-18-10-17(19(24)11-21(18)28-27-20)22(29)26-13-15-4-2-8-25-12-15;1-12(2)20(11-22)25-21(28)15-9-16-18(26-27-19(16)10-17(15)24)7-6-13-4-3-5-14(23)8-13;1-21(2,3)28-20(27)24-18-11-15-17(25-26(4)19(15)12-16(18)23)9-8-13-6-5-7-14(22)10-13;1-10(18(22)26)23-19(27)13-8-14-16(24-25-17(14)9-15(13)21)6-5-11-3-2-4-12(20)7-11;1-21-16-9-14(19)12(17(22)23)8-13(16)15(20-21)6-5-10-3-2-4-11(18)7-10/h1-12H,13H2,(H,26,29)(H,27,28);3-10,12,20H,1,11H2,2H3,(H-,25,26,27,28);5-12H,1-4H3,(H,24,27);2-10H,1H3,(H2,22,26)(H,23,27)(H,24,25);2-9H,1H3,(H,22,23)/p+1/b2*7-6+;9-8+;2*6-5+/t;12?,20-;;10-;/m.1.0./s1.

What are the key properties of N-[(2S)-1-amino-1-oxopropan-2-yl]-6-fluoro-3-[(E)-2-(3-fluorophenyl)ethenyl]-1H-indazole-5-carboxamide;tert-butyl N-[6-fluoro-3-[(E)-2-(3-fluorophenyl)ethenyl]-1-methylindazol-5-yl]carbamate;N-[(2S)-1-chloro-3-methylbutan-2-yl]-6-fluoro-3-[(E)-2-(3-fluorophenyl)ethenyl]-1H-indazole-5-carboxamide;6-fluoro-3-[(E)-2-(3-fluorophenyl)ethenyl]-1-methylindazole-5-carboxylic acid;6-fluoro-3-[(E)-2-(3-fluorophenyl)ethenyl]-N-(pyridin-3-ylmethyl)-1H-indazole-5-carboxamide?

N-[(2S)-1-amino-1-oxopropan-2-yl]-6-fluoro-3-[(E)-2-(3-fluorophenyl)ethenyl]-1H-indazole-5-carboxamide;tert-butyl N-[6-fluoro-3-[(E)-2-(3-fluorophenyl)ethenyl]-1-methylindazol-5-yl]carbamate;N-[(2S)-1-chloro-3-methylbutan-2-yl]-6-fluoro-3-[(E)-2-(3-fluorophenyl)ethenyl]-1H-indazole-5-carboxamide;6-fluoro-3-[(E)-2-(3-fluorophenyl)ethenyl]-1-methylindazole-5-carboxylic acid;6-fluoro-3-[(E)-2-(3-fluorophenyl)ethenyl]-N-(pyridin-3-ylmethyl)-1H-indazole-5-carboxamide has a molecular weight of 1863.31 g/mol, XLogP of 20.86, 22 rotatable bonds, 9 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(2S)-1-amino-1-oxopropan-2-yl]-6-fluoro-3-[(E)-2-(3-fluorophenyl)ethenyl]-1H-indazole-5-carboxamide;tert-butyl N-[6-fluoro-3-[(E)-2-(3-fluorophenyl)ethenyl]-1-methylindazol-5-yl]carbamate;N-[(2S)-1-chloro-3-methylbutan-2-yl]-6-fluoro-3-[(E)-2-(3-fluorophenyl)ethenyl]-1H-indazole-5-carboxamide;6-fluoro-3-[(E)-2-(3-fluorophenyl)ethenyl]-1-methylindazole-5-carboxylic acid;6-fluoro-3-[(E)-2-(3-fluorophenyl)ethenyl]-N-(pyridin-3-ylmethyl)-1H-indazole-5-carboxamide is sourced from PubChem (CID 162263908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).