N-[(2S)-1-amino-1-oxopropan-2-yl]-7-fluoro-3-(2-pyridin-3-ylethenyl)-2H-indazole-5-carboxamide;tert-butyl N-[7-fluoro-1-methyl-3-[(E)-2-pyridin-3-ylethenyl]indazol-5-yl]carbamate;N-cyclopropyl-7-fluoro-3-[(E)-2-pyridin-3-ylethenyl]-2H-indazole-5-carboxamide;7-fluoro-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-3-[(E)-2-pyridin-3-ylethenyl]-2H-indazole-5-carboxamide;7-fluoro-N-[(1S)-2-hydroxy-1-phenylethyl]-3-[(E)-2-pyridin-3-ylethenyl]-2H-indazole-5-carboxamide

C99H92F5N21O9 — CID 159814235

About N-[(2S)-1-amino-1-oxopropan-2-yl]-7-fluoro-3-(2-pyridin-3-ylethenyl)-2H-indazole-5-carboxamide;tert-butyl N-[7-fluoro-1-methyl-3-[(E)-2-pyridin-3-ylethenyl]indazol-5-yl]carbamate;N-cyclopropyl-7-fluoro-3-[(E)-2-pyridin-3-ylethenyl]-2H-indazole-5-carboxamide;7-fluoro-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-3-[(E)-2-pyridin-3-ylethenyl]-2H-indazole-5-carboxamide;7-fluoro-N-[(1S)-2-hydroxy-1-phenylethyl]-3-[(E)-2-pyridin-3-ylethenyl]-2H-indazole-5-carboxamide

N-[(2S)-1-amino-1-oxopropan-2-yl]-7-fluoro-3-(2-pyridin-3-ylethenyl)-2H-indazole-5-carboxamide;tert-butyl N-[7-fluoro-1-methyl-3-[(E)-2-pyridin-3-ylethenyl]indazol-5-yl]carbamate;N-cyclopropyl-7-fluoro-3-[(E)-2-pyridin-3-ylethenyl]-2H-indazole-5-carboxamide;7-fluoro-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-3-[(E)-2-pyridin-3-ylethenyl]-2H-indazole-5-carboxamide;7-fluoro-N-[(1S)-2-hydroxy-1-phenylethyl]-3-[(E)-2-pyridin-3-ylethenyl]-2H-indazole-5-carboxamide (PubChem CID 159814235) has the molecular formula C99H92F5N21O9 and a molecular weight of 1814.95 g/mol. Its IUPAC name is N-[(2S)-1-amino-1-oxopropan-2-yl]-7-fluoro-3-(2-pyridin-3-ylethenyl)-2H-indazole-5-carboxamide;tert-butyl N-[7-fluoro-1-methyl-3-[(E)-2-pyridin-3-ylethenyl]indazol-5-yl]carbamate;N-cyclopropyl-7-fluoro-3-[(E)-2-pyridin-3-ylethenyl]-2H-indazole-5-carboxamide;7-fluoro-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-3-[(E)-2-pyridin-3-ylethenyl]-2H-indazole-5-carboxamide;7-fluoro-N-[(1S)-2-hydroxy-1-phenylethyl]-3-[(E)-2-pyridin-3-ylethenyl]-2H-indazole-5-carboxamide.

Molecular Properties

• Compound Name: N-[(2S)-1-amino-1-oxopropan-2-yl]-7-fluoro-3-(2-pyridin-3-ylethenyl)-2H-indazole-5-carboxamide;tert-butyl N-[7-fluoro-1-methyl-3-[(E)-2-pyridin-3-ylethenyl]indazol-5-yl]carbamate;N-cyclopropyl-7-fluoro-3-[(E)-2-pyridin-3-ylethenyl]-2H-indazole-5-carboxamide;7-fluoro-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-3-[(E)-2-pyridin-3-ylethenyl]-2H-indazole-5-carboxamide;7-fluoro-N-[(1S)-2-hydroxy-1-phenylethyl]-3-[(E)-2-pyridin-3-ylethenyl]-2H-indazole-5-carboxamide
• PubChem CID: 159814235
• Molecular Formula: C99H92F5N21O9
• Molecular Weight: 1814.95 g/mol
• Exact Mass: 1813.73
• IUPAC Name: N-[(2S)-1-amino-1-oxopropan-2-yl]-7-fluoro-3-(2-pyridin-3-ylethenyl)-2H-indazole-5-carboxamide;tert-butyl N-[7-fluoro-1-methyl-3-[(E)-2-pyridin-3-ylethenyl]indazol-5-yl]carbamate;N-cyclopropyl-7-fluoro-3-[(E)-2-pyridin-3-ylethenyl]-2H-indazole-5-carboxamide;7-fluoro-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-3-[(E)-2-pyridin-3-ylethenyl]-2H-indazole-5-carboxamide;7-fluoro-N-[(1S)-2-hydroxy-1-phenylethyl]-3-[(E)-2-pyridin-3-ylethenyl]-2H-indazole-5-carboxamide
• SMILES: CC(C)[C@@H](CO)NC(=O)c1cc(F)c2n[nH]c(/C=C/c3cccnc3)c2c1.C[C@H](NC(=O)c1cc(F)c2n[nH]c(C=Cc3cccnc3)c2c1)C(N)=O.Cn1nc(/C=C/c2cccnc2)c2cc(NC(=O)OC(C)(C)C)cc(F)c21.O=C(NC1CC1)c1cc(F)c2n[nH]c(/C=C/c3cccnc3)c2c1.O=C(N[C@H](CO)c1ccccc1)c1cc(F)c2n[nH]c(/C=C/c3cccnc3)c2c1
• InChI: InChI=1S/C23H19FN4O2.2C20H21FN4O2.C18H16FN5O2.C18H15FN4O/c24-19-12-17(23(30)26-21(14-29)16-6-2-1-3-7-16)11-18-20(27-28-22(18)19)9-8-15-5-4-10-25-13-15;1-20(2,3)27-19(26)23-14-10-15-17(8-7-13-6-5-9-22-12-13)24-25(4)18(15)16(21)11-14;1-12(2)18(11-26)23-20(27)14-8-15-17(24-25-19(15)16(21)9-14)6-5-13-4-3-7-22-10-13;1-10(17(20)25)22-18(26)12-7-13-15(23-24-16(13)14(19)8-12)5-4-11-3-2-6-21-9-11;19-15-9-12(18(24)21-13-4-5-13)8-14-16(22-23-17(14)15)6-3-11-2-1-7-20-10-11/h1-13,21,29H,14H2,(H,26,30)(H,27,28);5-12H,1-4H3,(H,23,26);3-10,12,18,26H,11H2,1-2H3,(H,23,27)(H,24,25);2-10H,1H3,(H2,20,25)(H,22,26)(H,23,24);1-3,6-10,13H,4-5H2,(H,21,24)(H,22,23)/b9-8+;8-7+;6-5+;;6-3+/t21-;;18-;10-;/m1.10./s1
• InChIKey: NLKGINQLNUEKHT-UNSHKPMHSA-N
• XLogP: 16.40
• TPSA: 435.27 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 20
• Rotatable Bonds: 24
• Heavy Atoms: 134
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1814.95
LogP ≤ 5	16.40
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	20

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-amino-1-oxopropan-2-yl]-7-fluoro-3-(2-pyridin-3-ylethenyl)-2H-indazole-5-carboxamide;tert-butyl N-[7-fluoro-1-methyl-3-[(E)-2-pyridin-3-ylethenyl]indazol-5-yl]carbamate;N-cyclopropyl-7-fluoro-3-[(E)-2-pyridin-3-ylethenyl]-2H-indazole-5-carboxamide;7-fluoro-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-3-[(E)-2-pyridin-3-ylethenyl]-2H-indazole-5-carboxamide;7-fluoro-N-[(1S)-2-hydroxy-1-phenylethyl]-3-[(E)-2-pyridin-3-ylethenyl]-2H-indazole-5-carboxamide?

The IUPAC name of N-[(2S)-1-amino-1-oxopropan-2-yl]-7-fluoro-3-(2-pyridin-3-ylethenyl)-2H-indazole-5-carboxamide;tert-butyl N-[7-fluoro-1-methyl-3-[(E)-2-pyridin-3-ylethenyl]indazol-5-yl]carbamate;N-cyclopropyl-7-fluoro-3-[(E)-2-pyridin-3-ylethenyl]-2H-indazole-5-carboxamide;7-fluoro-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-3-[(E)-2-pyridin-3-ylethenyl]-2H-indazole-5-carboxamide;7-fluoro-N-[(1S)-2-hydroxy-1-phenylethyl]-3-[(E)-2-pyridin-3-ylethenyl]-2H-indazole-5-carboxamide (CID 159814235) is N-[(2S)-1-amino-1-oxopropan-2-yl]-7-fluoro-3-(2-pyridin-3-ylethenyl)-2H-indazole-5-carboxamide;tert-butyl N-[7-fluoro-1-methyl-3-[(E)-2-pyridin-3-ylethenyl]indazol-5-yl]carbamate;N-cyclopropyl-7-fluoro-3-[(E)-2-pyridin-3-ylethenyl]-2H-indazole-5-carboxamide;7-fluoro-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-3-[(E)-2-pyridin-3-ylethenyl]-2H-indazole-5-carboxamide;7-fluoro-N-[(1S)-2-hydroxy-1-phenylethyl]-3-[(E)-2-pyridin-3-ylethenyl]-2H-indazole-5-carboxamide.

What is the SMILES notation for N-[(2S)-1-amino-1-oxopropan-2-yl]-7-fluoro-3-(2-pyridin-3-ylethenyl)-2H-indazole-5-carboxamide;tert-butyl N-[7-fluoro-1-methyl-3-[(E)-2-pyridin-3-ylethenyl]indazol-5-yl]carbamate;N-cyclopropyl-7-fluoro-3-[(E)-2-pyridin-3-ylethenyl]-2H-indazole-5-carboxamide;7-fluoro-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-3-[(E)-2-pyridin-3-ylethenyl]-2H-indazole-5-carboxamide;7-fluoro-N-[(1S)-2-hydroxy-1-phenylethyl]-3-[(E)-2-pyridin-3-ylethenyl]-2H-indazole-5-carboxamide?

The canonical SMILES for N-[(2S)-1-amino-1-oxopropan-2-yl]-7-fluoro-3-(2-pyridin-3-ylethenyl)-2H-indazole-5-carboxamide;tert-butyl N-[7-fluoro-1-methyl-3-[(E)-2-pyridin-3-ylethenyl]indazol-5-yl]carbamate;N-cyclopropyl-7-fluoro-3-[(E)-2-pyridin-3-ylethenyl]-2H-indazole-5-carboxamide;7-fluoro-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-3-[(E)-2-pyridin-3-ylethenyl]-2H-indazole-5-carboxamide;7-fluoro-N-[(1S)-2-hydroxy-1-phenylethyl]-3-[(E)-2-pyridin-3-ylethenyl]-2H-indazole-5-carboxamide is CC(C)[C@@H](CO)NC(=O)c1cc(F)c2n[nH]c(/C=C/c3cccnc3)c2c1.C[C@H](NC(=O)c1cc(F)c2n[nH]c(C=Cc3cccnc3)c2c1)C(N)=O.Cn1nc(/C=C/c2cccnc2)c2cc(NC(=O)OC(C)(C)C)cc(F)c21.O=C(NC1CC1)c1cc(F)c2n[nH]c(/C=C/c3cccnc3)c2c1.O=C(N[C@H](CO)c1ccccc1)c1cc(F)c2n[nH]c(/C=C/c3cccnc3)c2c1.

What is the InChIKey of N-[(2S)-1-amino-1-oxopropan-2-yl]-7-fluoro-3-(2-pyridin-3-ylethenyl)-2H-indazole-5-carboxamide;tert-butyl N-[7-fluoro-1-methyl-3-[(E)-2-pyridin-3-ylethenyl]indazol-5-yl]carbamate;N-cyclopropyl-7-fluoro-3-[(E)-2-pyridin-3-ylethenyl]-2H-indazole-5-carboxamide;7-fluoro-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-3-[(E)-2-pyridin-3-ylethenyl]-2H-indazole-5-carboxamide;7-fluoro-N-[(1S)-2-hydroxy-1-phenylethyl]-3-[(E)-2-pyridin-3-ylethenyl]-2H-indazole-5-carboxamide?

The InChIKey is NLKGINQLNUEKHT-UNSHKPMHSA-N. The full InChI is InChI=1S/C23H19FN4O2.2C20H21FN4O2.C18H16FN5O2.C18H15FN4O/c24-19-12-17(23(30)26-21(14-29)16-6-2-1-3-7-16)11-18-20(27-28-22(18)19)9-8-15-5-4-10-25-13-15;1-20(2,3)27-19(26)23-14-10-15-17(8-7-13-6-5-9-22-12-13)24-25(4)18(15)16(21)11-14;1-12(2)18(11-26)23-20(27)14-8-15-17(24-25-19(15)16(21)9-14)6-5-13-4-3-7-22-10-13;1-10(17(20)25)22-18(26)12-7-13-15(23-24-16(13)14(19)8-12)5-4-11-3-2-6-21-9-11;19-15-9-12(18(24)21-13-4-5-13)8-14-16(22-23-17(14)15)6-3-11-2-1-7-20-10-11/h1-13,21,29H,14H2,(H,26,30)(H,27,28);5-12H,1-4H3,(H,23,26);3-10,12,18,26H,11H2,1-2H3,(H,23,27)(H,24,25);2-10H,1H3,(H2,20,25)(H,22,26)(H,23,24);1-3,6-10,13H,4-5H2,(H,21,24)(H,22,23)/b9-8+;8-7+;6-5+;;6-3+/t21-;;18-;10-;/m1.10./s1.

What are the key properties of N-[(2S)-1-amino-1-oxopropan-2-yl]-7-fluoro-3-(2-pyridin-3-ylethenyl)-2H-indazole-5-carboxamide;tert-butyl N-[7-fluoro-1-methyl-3-[(E)-2-pyridin-3-ylethenyl]indazol-5-yl]carbamate;N-cyclopropyl-7-fluoro-3-[(E)-2-pyridin-3-ylethenyl]-2H-indazole-5-carboxamide;7-fluoro-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-3-[(E)-2-pyridin-3-ylethenyl]-2H-indazole-5-carboxamide;7-fluoro-N-[(1S)-2-hydroxy-1-phenylethyl]-3-[(E)-2-pyridin-3-ylethenyl]-2H-indazole-5-carboxamide?

N-[(2S)-1-amino-1-oxopropan-2-yl]-7-fluoro-3-(2-pyridin-3-ylethenyl)-2H-indazole-5-carboxamide;tert-butyl N-[7-fluoro-1-methyl-3-[(E)-2-pyridin-3-ylethenyl]indazol-5-yl]carbamate;N-cyclopropyl-7-fluoro-3-[(E)-2-pyridin-3-ylethenyl]-2H-indazole-5-carboxamide;7-fluoro-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-3-[(E)-2-pyridin-3-ylethenyl]-2H-indazole-5-carboxamide;7-fluoro-N-[(1S)-2-hydroxy-1-phenylethyl]-3-[(E)-2-pyridin-3-ylethenyl]-2H-indazole-5-carboxamide has a molecular weight of 1814.95 g/mol, XLogP of 16.40, 24 rotatable bonds, 12 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(2S)-1-amino-1-oxopropan-2-yl]-7-fluoro-3-(2-pyridin-3-ylethenyl)-2H-indazole-5-carboxamide;tert-butyl N-[7-fluoro-1-methyl-3-[(E)-2-pyridin-3-ylethenyl]indazol-5-yl]carbamate;N-cyclopropyl-7-fluoro-3-[(E)-2-pyridin-3-ylethenyl]-2H-indazole-5-carboxamide;7-fluoro-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-3-[(E)-2-pyridin-3-ylethenyl]-2H-indazole-5-carboxamide;7-fluoro-N-[(1S)-2-hydroxy-1-phenylethyl]-3-[(E)-2-pyridin-3-ylethenyl]-2H-indazole-5-carboxamide is sourced from PubChem (CID 159814235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).