1-acetyl-N-[3-[(E)-2-(3,4-difluorophenyl)ethenyl]-6-fluoro-1H-indazol-5-yl]piperidine-4-carboxamide;N-[3-[(E)-2-(3,4-difluorophenyl)ethenyl]-6-fluoro-1H-indazol-5-yl]cyclopropanecarboxamide;N-[3-[(E)-2-(3,4-difluorophenyl)ethenyl]-6-fluoro-1H-indazol-5-yl]-1-hydroxycyclopropane-1-carboxamide;3-[(E)-2-(3,4-difluorophenyl)ethenyl]-6-fluoro-1-methylindazol-5-amine

C77H61F12N13O5 — CID 160863311

About 1-acetyl-N-[3-[(E)-2-(3,4-difluorophenyl)ethenyl]-6-fluoro-1H-indazol-5-yl]piperidine-4-carboxamide;N-[3-[(E)-2-(3,4-difluorophenyl)ethenyl]-6-fluoro-1H-indazol-5-yl]cyclopropanecarboxamide;N-[3-[(E)-2-(3,4-difluorophenyl)ethenyl]-6-fluoro-1H-indazol-5-yl]-1-hydroxycyclopropane-1-carboxamide;3-[(E)-2-(3,4-difluorophenyl)ethenyl]-6-fluoro-1-methylindazol-5-amine

1-acetyl-N-[3-[(E)-2-(3,4-difluorophenyl)ethenyl]-6-fluoro-1H-indazol-5-yl]piperidine-4-carboxamide;N-[3-[(E)-2-(3,4-difluorophenyl)ethenyl]-6-fluoro-1H-indazol-5-yl]cyclopropanecarboxamide;N-[3-[(E)-2-(3,4-difluorophenyl)ethenyl]-6-fluoro-1H-indazol-5-yl]-1-hydroxycyclopropane-1-carboxamide;3-[(E)-2-(3,4-difluorophenyl)ethenyl]-6-fluoro-1-methylindazol-5-amine (PubChem CID 160863311) has the molecular formula C77H61F12N13O5 and a molecular weight of 1476.40 g/mol. Its IUPAC name is 1-acetyl-N-[3-[(E)-2-(3,4-difluorophenyl)ethenyl]-6-fluoro-1H-indazol-5-yl]piperidine-4-carboxamide;N-[3-[(E)-2-(3,4-difluorophenyl)ethenyl]-6-fluoro-1H-indazol-5-yl]cyclopropanecarboxamide;N-[3-[(E)-2-(3,4-difluorophenyl)ethenyl]-6-fluoro-1H-indazol-5-yl]-1-hydroxycyclopropane-1-carboxamide;3-[(E)-2-(3,4-difluorophenyl)ethenyl]-6-fluoro-1-methylindazol-5-amine.

Molecular Properties

• Compound Name: 1-acetyl-N-[3-[(E)-2-(3,4-difluorophenyl)ethenyl]-6-fluoro-1H-indazol-5-yl]piperidine-4-carboxamide;N-[3-[(E)-2-(3,4-difluorophenyl)ethenyl]-6-fluoro-1H-indazol-5-yl]cyclopropanecarboxamide;N-[3-[(E)-2-(3,4-difluorophenyl)ethenyl]-6-fluoro-1H-indazol-5-yl]-1-hydroxycyclopropane-1-carboxamide;3-[(E)-2-(3,4-difluorophenyl)ethenyl]-6-fluoro-1-methylindazol-5-amine
• PubChem CID: 160863311
• Molecular Formula: C77H61F12N13O5
• Molecular Weight: 1476.40 g/mol
• Exact Mass: 1475.47
• IUPAC Name: 1-acetyl-N-[3-[(E)-2-(3,4-difluorophenyl)ethenyl]-6-fluoro-1H-indazol-5-yl]piperidine-4-carboxamide;N-[3-[(E)-2-(3,4-difluorophenyl)ethenyl]-6-fluoro-1H-indazol-5-yl]cyclopropanecarboxamide;N-[3-[(E)-2-(3,4-difluorophenyl)ethenyl]-6-fluoro-1H-indazol-5-yl]-1-hydroxycyclopropane-1-carboxamide;3-[(E)-2-(3,4-difluorophenyl)ethenyl]-6-fluoro-1-methylindazol-5-amine
• SMILES: CC(=O)N1CCC(C(=O)Nc2cc3c(/C=C/c4ccc(F)c(F)c4)n[nH]c3cc2F)CC1.Cn1nc(/C=C/c2ccc(F)c(F)c2)c2cc(N)c(F)cc21.O=C(Nc1cc2c(/C=C/c3ccc(F)c(F)c3)n[nH]c2cc1F)C1(O)CC1.O=C(Nc1cc2c(/C=C/c3ccc(F)c(F)c3)n[nH]c2cc1F)C1CC1
• InChI: InChI=1S/C23H21F3N4O2.C19H14F3N3O2.C19H14F3N3O.C16H12F3N3/c1-13(31)30-8-6-15(7-9-30)23(32)27-22-11-16-20(28-29-21(16)12-19(22)26)5-3-14-2-4-17(24)18(25)10-14;20-12-3-1-10(7-13(12)21)2-4-15-11-8-17(14(22)9-16(11)25-24-15)23-18(26)19(27)5-6-19;20-13-5-1-10(7-14(13)21)2-6-16-12-8-18(23-19(26)11-3-4-11)15(22)9-17(12)25-24-16;1-22-16-8-13(19)14(20)7-10(16)15(21-22)5-3-9-2-4-11(17)12(18)6-9/h2-5,10-12,15H,6-9H2,1H3,(H,27,32)(H,28,29);1-4,7-9,27H,5-6H2,(H,23,26)(H,24,25);1-2,5-9,11H,3-4H2,(H,23,26)(H,24,25);2-8H,20H2,1H3/b5-3+;4-2+;6-2+;5-3+
• InChIKey: SKTWFDXZFDAZEJ-RQIYEXSCSA-N
• XLogP: 16.20
• TPSA: 257.72 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 11
• Rotatable Bonds: 14
• Heavy Atoms: 107
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1476.40
LogP ≤ 5	16.20
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-acetyl-N-[3-[(E)-2-(3,4-difluorophenyl)ethenyl]-6-fluoro-1H-indazol-5-yl]piperidine-4-carboxamide;N-[3-[(E)-2-(3,4-difluorophenyl)ethenyl]-6-fluoro-1H-indazol-5-yl]cyclopropanecarboxamide;N-[3-[(E)-2-(3,4-difluorophenyl)ethenyl]-6-fluoro-1H-indazol-5-yl]-1-hydroxycyclopropane-1-carboxamide;3-[(E)-2-(3,4-difluorophenyl)ethenyl]-6-fluoro-1-methylindazol-5-amine?

The IUPAC name of 1-acetyl-N-[3-[(E)-2-(3,4-difluorophenyl)ethenyl]-6-fluoro-1H-indazol-5-yl]piperidine-4-carboxamide;N-[3-[(E)-2-(3,4-difluorophenyl)ethenyl]-6-fluoro-1H-indazol-5-yl]cyclopropanecarboxamide;N-[3-[(E)-2-(3,4-difluorophenyl)ethenyl]-6-fluoro-1H-indazol-5-yl]-1-hydroxycyclopropane-1-carboxamide;3-[(E)-2-(3,4-difluorophenyl)ethenyl]-6-fluoro-1-methylindazol-5-amine (CID 160863311) is 1-acetyl-N-[3-[(E)-2-(3,4-difluorophenyl)ethenyl]-6-fluoro-1H-indazol-5-yl]piperidine-4-carboxamide;N-[3-[(E)-2-(3,4-difluorophenyl)ethenyl]-6-fluoro-1H-indazol-5-yl]cyclopropanecarboxamide;N-[3-[(E)-2-(3,4-difluorophenyl)ethenyl]-6-fluoro-1H-indazol-5-yl]-1-hydroxycyclopropane-1-carboxamide;3-[(E)-2-(3,4-difluorophenyl)ethenyl]-6-fluoro-1-methylindazol-5-amine.

What is the SMILES notation for 1-acetyl-N-[3-[(E)-2-(3,4-difluorophenyl)ethenyl]-6-fluoro-1H-indazol-5-yl]piperidine-4-carboxamide;N-[3-[(E)-2-(3,4-difluorophenyl)ethenyl]-6-fluoro-1H-indazol-5-yl]cyclopropanecarboxamide;N-[3-[(E)-2-(3,4-difluorophenyl)ethenyl]-6-fluoro-1H-indazol-5-yl]-1-hydroxycyclopropane-1-carboxamide;3-[(E)-2-(3,4-difluorophenyl)ethenyl]-6-fluoro-1-methylindazol-5-amine?

The canonical SMILES for 1-acetyl-N-[3-[(E)-2-(3,4-difluorophenyl)ethenyl]-6-fluoro-1H-indazol-5-yl]piperidine-4-carboxamide;N-[3-[(E)-2-(3,4-difluorophenyl)ethenyl]-6-fluoro-1H-indazol-5-yl]cyclopropanecarboxamide;N-[3-[(E)-2-(3,4-difluorophenyl)ethenyl]-6-fluoro-1H-indazol-5-yl]-1-hydroxycyclopropane-1-carboxamide;3-[(E)-2-(3,4-difluorophenyl)ethenyl]-6-fluoro-1-methylindazol-5-amine is CC(=O)N1CCC(C(=O)Nc2cc3c(/C=C/c4ccc(F)c(F)c4)n[nH]c3cc2F)CC1.Cn1nc(/C=C/c2ccc(F)c(F)c2)c2cc(N)c(F)cc21.O=C(Nc1cc2c(/C=C/c3ccc(F)c(F)c3)n[nH]c2cc1F)C1(O)CC1.O=C(Nc1cc2c(/C=C/c3ccc(F)c(F)c3)n[nH]c2cc1F)C1CC1.

What is the InChIKey of 1-acetyl-N-[3-[(E)-2-(3,4-difluorophenyl)ethenyl]-6-fluoro-1H-indazol-5-yl]piperidine-4-carboxamide;N-[3-[(E)-2-(3,4-difluorophenyl)ethenyl]-6-fluoro-1H-indazol-5-yl]cyclopropanecarboxamide;N-[3-[(E)-2-(3,4-difluorophenyl)ethenyl]-6-fluoro-1H-indazol-5-yl]-1-hydroxycyclopropane-1-carboxamide;3-[(E)-2-(3,4-difluorophenyl)ethenyl]-6-fluoro-1-methylindazol-5-amine?

The InChIKey is SKTWFDXZFDAZEJ-RQIYEXSCSA-N. The full InChI is InChI=1S/C23H21F3N4O2.C19H14F3N3O2.C19H14F3N3O.C16H12F3N3/c1-13(31)30-8-6-15(7-9-30)23(32)27-22-11-16-20(28-29-21(16)12-19(22)26)5-3-14-2-4-17(24)18(25)10-14;20-12-3-1-10(7-13(12)21)2-4-15-11-8-17(14(22)9-16(11)25-24-15)23-18(26)19(27)5-6-19;20-13-5-1-10(7-14(13)21)2-6-16-12-8-18(23-19(26)11-3-4-11)15(22)9-17(12)25-24-16;1-22-16-8-13(19)14(20)7-10(16)15(21-22)5-3-9-2-4-11(17)12(18)6-9/h2-5,10-12,15H,6-9H2,1H3,(H,27,32)(H,28,29);1-4,7-9,27H,5-6H2,(H,23,26)(H,24,25);1-2,5-9,11H,3-4H2,(H,23,26)(H,24,25);2-8H,20H2,1H3/b5-3+;4-2+;6-2+;5-3+.

What are the key properties of 1-acetyl-N-[3-[(E)-2-(3,4-difluorophenyl)ethenyl]-6-fluoro-1H-indazol-5-yl]piperidine-4-carboxamide;N-[3-[(E)-2-(3,4-difluorophenyl)ethenyl]-6-fluoro-1H-indazol-5-yl]cyclopropanecarboxamide;N-[3-[(E)-2-(3,4-difluorophenyl)ethenyl]-6-fluoro-1H-indazol-5-yl]-1-hydroxycyclopropane-1-carboxamide;3-[(E)-2-(3,4-difluorophenyl)ethenyl]-6-fluoro-1-methylindazol-5-amine?

1-acetyl-N-[3-[(E)-2-(3,4-difluorophenyl)ethenyl]-6-fluoro-1H-indazol-5-yl]piperidine-4-carboxamide;N-[3-[(E)-2-(3,4-difluorophenyl)ethenyl]-6-fluoro-1H-indazol-5-yl]cyclopropanecarboxamide;N-[3-[(E)-2-(3,4-difluorophenyl)ethenyl]-6-fluoro-1H-indazol-5-yl]-1-hydroxycyclopropane-1-carboxamide;3-[(E)-2-(3,4-difluorophenyl)ethenyl]-6-fluoro-1-methylindazol-5-amine has a molecular weight of 1476.40 g/mol, XLogP of 16.20, 14 rotatable bonds, 8 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 1-acetyl-N-[3-[(E)-2-(3,4-difluorophenyl)ethenyl]-6-fluoro-1H-indazol-5-yl]piperidine-4-carboxamide;N-[3-[(E)-2-(3,4-difluorophenyl)ethenyl]-6-fluoro-1H-indazol-5-yl]cyclopropanecarboxamide;N-[3-[(E)-2-(3,4-difluorophenyl)ethenyl]-6-fluoro-1H-indazol-5-yl]-1-hydroxycyclopropane-1-carboxamide;3-[(E)-2-(3,4-difluorophenyl)ethenyl]-6-fluoro-1-methylindazol-5-amine is sourced from PubChem (CID 160863311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).