2-amino-N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]-2-pyridin-3-ylacetamide;1-ethyl-3-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]urea;(2S)-N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]-1-methylpyrrolidine-2-carboxamide;N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]-2-morpholin-4-ylacetamide;N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]-2-oxoimidazolidine-4-carboxamide

C101H88F10N22O7 — CID 161064204

IUPAC2-amino-N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]-2-pyridin-3-ylacetamide;1-ethyl-3-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]urea;(2S)-N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]-1-methylpyrrolidine-2-carboxamide;N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]-2-morpholin-4-ylacetamide;N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]-2-oxoimidazolidine-4-carboxamide
SMILESCCNC(=O)Nc1cc2c(/C=C/c3ccc(F)cc3)n[nH]c2cc1F.CN1CCC[C@H]1C(=O)Nc1cc2c(/C=C/c3ccc(F)cc3)n[nH]c2cc1F.NC(C(=O)Nc1cc2c(/C=C/c3ccc(F)cc3)n[nH]c2cc1F)c1cccnc1.O=C(CN1CCOCC1)Nc1cc2c(/C=C/c3ccc(F)cc3)n[nH]c2cc1F.O=C1NCC(C(=O)Nc2cc3c(/C=C/c4ccc(F)cc4)n[nH]c3cc2F)N1
InChIInChI=1S/C22H17F2N5O.C21H20F2N4O2.C21H20F2N4O.C19H15F2N5O2.C18H16F2N4O/c23-15-6-3-13(4-7-15)5-8-18-16-10-20(17(24)11-19(16)29-28-18)27-22(30)21(25)14-2-1-9-26-12-14;22-15-4-1-14(2-5-15)3-6-18-16-11-20(17(23)12-19(16)26-25-18)24-21(28)13-27-7-9-29-10-8-27;1-27-10-2-3-20(27)21(28)24-19-11-15-17(25-26-18(15)12-16(19)23)9-6-13-4-7-14(22)8-5-13;20-11-4-1-10(2-5-11)3-6-14-12-7-16(13(21)8-15(12)26-25-14)23-18(27)17-9-22-19(28)24-17;1-2-21-18(25)22-17-9-13-15(23-24-16(13)10-14(17)20)8-5-11-3-6-12(19)7-4-11/h1-12,21H,25H2,(H,27,30)(H,28,29);1-6,11-12H,7-10,13H2,(H,24,28)(H,25,26);4-9,11-12,20H,2-3,10H2,1H3,(H,24,28)(H,25,26);1-8,17H,9H2,(H,23,27)(H,25,26)(H2,22,24,28);3-10H,2H2,1H3,(H,23,24)(H2,21,22,25)/b8-5+;6-3+;9-6+;6-3+;8-5+/t;;20-;;/m..0../s1
InChIKeyUDUIOCQFCDISBE-XLRBQYIXSA-N
MW1911.94 g/mol
LogP18.16
Rot. Bonds22

About 2-amino-N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]-2-pyridin-3-ylacetamide;1-ethyl-3-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]urea;(2S)-N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]-1-methylpyrrolidine-2-carboxamide;N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]-2-morpholin-4-ylacetamide;N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]-2-oxoimidazolidine-4-carboxamide

2-amino-N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]-2-pyridin-3-ylacetamide;1-ethyl-3-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]urea;(2S)-N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]-1-methylpyrrolidine-2-carboxamide;N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]-2-morpholin-4-ylacetamide;N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]-2-oxoimidazolidine-4-carboxamide (PubChem CID 161064204) has the molecular formula C101H88F10N22O7 and a molecular weight of 1911.94 g/mol. Its IUPAC name is 2-amino-N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]-2-pyridin-3-ylacetamide;1-ethyl-3-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]urea;(2S)-N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]-1-methylpyrrolidine-2-carboxamide;N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]-2-morpholin-4-ylacetamide;N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]-2-oxoimidazolidine-4-carboxamide.

Molecular Properties

Compound Name2-amino-N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]-2-pyridin-3-ylacetamide;1-ethyl-3-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]urea;(2S)-N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]-1-methylpyrrolidine-2-carboxamide;N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]-2-morpholin-4-ylacetamide;N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]-2-oxoimidazolidine-4-carboxamide
PubChem CID161064204
Molecular FormulaC101H88F10N22O7
Molecular Weight1911.94 g/mol
Exact Mass1910.70
IUPAC Name2-amino-N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]-2-pyridin-3-ylacetamide;1-ethyl-3-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]urea;(2S)-N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]-1-methylpyrrolidine-2-carboxamide;N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]-2-morpholin-4-ylacetamide;N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]-2-oxoimidazolidine-4-carboxamide
SMILESCCNC(=O)Nc1cc2c(/C=C/c3ccc(F)cc3)n[nH]c2cc1F.CN1CCC[C@H]1C(=O)Nc1cc2c(/C=C/c3ccc(F)cc3)n[nH]c2cc1F.NC(C(=O)Nc1cc2c(/C=C/c3ccc(F)cc3)n[nH]c2cc1F)c1cccnc1.O=C(CN1CCOCC1)Nc1cc2c(/C=C/c3ccc(F)cc3)n[nH]c2cc1F.O=C1NCC(C(=O)Nc2cc3c(/C=C/c4ccc(F)cc4)n[nH]c3cc2F)N1
InChIInChI=1S/C22H17F2N5O.C21H20F2N4O2.C21H20F2N4O.C19H15F2N5O2.C18H16F2N4O/c23-15-6-3-13(4-7-15)5-8-18-16-10-20(17(24)11-19(16)29-28-18)27-22(30)21(25)14-2-1-9-26-12-14;22-15-4-1-14(2-5-15)3-6-18-16-11-20(17(23)12-19(16)26-25-18)24-21(28)13-27-7-9-29-10-8-27;1-27-10-2-3-20(27)21(28)24-19-11-15-17(25-26-18(15)12-16(19)23)9-6-13-4-7-14(22)8-5-13;20-11-4-1-10(2-5-11)3-6-14-12-7-16(13(21)8-15(12)26-25-14)23-18(27)17-9-22-19(28)24-17;1-2-21-18(25)22-17-9-13-15(23-24-16(13)10-14(17)20)8-5-11-3-6-12(19)7-4-11/h1-12,21H,25H2,(H,27,30)(H,28,29);1-6,11-12H,7-10,13H2,(H,24,28)(H,25,26);4-9,11-12,20H,2-3,10H2,1H3,(H,24,28)(H,25,26);1-8,17H,9H2,(H,23,27)(H,25,26)(H2,22,24,28);3-10H,2H2,1H3,(H,23,24)(H2,21,22,25)/b8-5+;6-3+;9-6+;6-3+;8-5+/t;;20-;;/m..0../s1
InChIKeyUDUIOCQFCDISBE-XLRBQYIXSA-N
XLogP18.16
TPSA396.68 Ų
H-Bond Donors14
H-Bond Acceptors16
Rotatable Bonds22
Heavy Atoms140
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001911.94
LogP ≤ 518.16
H-Bond Donors ≤ 514
H-Bond Acceptors ≤ 1016

Analyze 2-amino-N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]-2-pyridin-3-ylacetamide;1-ethyl-3-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]urea;(2S)-N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]-1-methylpyrrolidine-2-carboxamide;N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]-2-morpholin-4-ylacetamide;N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]-2-oxoimidazolidine-4-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]-2-pyridin-3-ylacetamide;1-ethyl-3-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]urea;(2S)-N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]-1-methylpyrrolidine-2-carboxamide;N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]-2-morpholin-4-ylacetamide;N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]-2-oxoimidazolidine-4-carboxamide?
The IUPAC name of 2-amino-N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]-2-pyridin-3-ylacetamide;1-ethyl-3-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]urea;(2S)-N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]-1-methylpyrrolidine-2-carboxamide;N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]-2-morpholin-4-ylacetamide;N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]-2-oxoimidazolidine-4-carboxamide (CID 161064204) is 2-amino-N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]-2-pyridin-3-ylacetamide;1-ethyl-3-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]urea;(2S)-N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]-1-methylpyrrolidine-2-carboxamide;N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]-2-morpholin-4-ylacetamide;N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]-2-oxoimidazolidine-4-carboxamide.
What is the SMILES notation for 2-amino-N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]-2-pyridin-3-ylacetamide;1-ethyl-3-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]urea;(2S)-N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]-1-methylpyrrolidine-2-carboxamide;N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]-2-morpholin-4-ylacetamide;N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]-2-oxoimidazolidine-4-carboxamide?
The canonical SMILES for 2-amino-N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]-2-pyridin-3-ylacetamide;1-ethyl-3-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]urea;(2S)-N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]-1-methylpyrrolidine-2-carboxamide;N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]-2-morpholin-4-ylacetamide;N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]-2-oxoimidazolidine-4-carboxamide is CCNC(=O)Nc1cc2c(/C=C/c3ccc(F)cc3)n[nH]c2cc1F.CN1CCC[C@H]1C(=O)Nc1cc2c(/C=C/c3ccc(F)cc3)n[nH]c2cc1F.NC(C(=O)Nc1cc2c(/C=C/c3ccc(F)cc3)n[nH]c2cc1F)c1cccnc1.O=C(CN1CCOCC1)Nc1cc2c(/C=C/c3ccc(F)cc3)n[nH]c2cc1F.O=C1NCC(C(=O)Nc2cc3c(/C=C/c4ccc(F)cc4)n[nH]c3cc2F)N1.
What is the InChIKey of 2-amino-N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]-2-pyridin-3-ylacetamide;1-ethyl-3-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]urea;(2S)-N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]-1-methylpyrrolidine-2-carboxamide;N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]-2-morpholin-4-ylacetamide;N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]-2-oxoimidazolidine-4-carboxamide?
The InChIKey is UDUIOCQFCDISBE-XLRBQYIXSA-N. The full InChI is InChI=1S/C22H17F2N5O.C21H20F2N4O2.C21H20F2N4O.C19H15F2N5O2.C18H16F2N4O/c23-15-6-3-13(4-7-15)5-8-18-16-10-20(17(24)11-19(16)29-28-18)27-22(30)21(25)14-2-1-9-26-12-14;22-15-4-1-14(2-5-15)3-6-18-16-11-20(17(23)12-19(16)26-25-18)24-21(28)13-27-7-9-29-10-8-27;1-27-10-2-3-20(27)21(28)24-19-11-15-17(25-26-18(15)12-16(19)23)9-6-13-4-7-14(22)8-5-13;20-11-4-1-10(2-5-11)3-6-14-12-7-16(13(21)8-15(12)26-25-14)23-18(27)17-9-22-19(28)24-17;1-2-21-18(25)22-17-9-13-15(23-24-16(13)10-14(17)20)8-5-11-3-6-12(19)7-4-11/h1-12,21H,25H2,(H,27,30)(H,28,29);1-6,11-12H,7-10,13H2,(H,24,28)(H,25,26);4-9,11-12,20H,2-3,10H2,1H3,(H,24,28)(H,25,26);1-8,17H,9H2,(H,23,27)(H,25,26)(H2,22,24,28);3-10H,2H2,1H3,(H,23,24)(H2,21,22,25)/b8-5+;6-3+;9-6+;6-3+;8-5+/t;;20-;;/m..0../s1.
What are the key properties of 2-amino-N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]-2-pyridin-3-ylacetamide;1-ethyl-3-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]urea;(2S)-N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]-1-methylpyrrolidine-2-carboxamide;N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]-2-morpholin-4-ylacetamide;N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]-2-oxoimidazolidine-4-carboxamide?
2-amino-N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]-2-pyridin-3-ylacetamide;1-ethyl-3-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]urea;(2S)-N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]-1-methylpyrrolidine-2-carboxamide;N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]-2-morpholin-4-ylacetamide;N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]-2-oxoimidazolidine-4-carboxamide has a molecular weight of 1911.94 g/mol, XLogP of 18.16, 22 rotatable bonds, 14 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]-2-pyridin-3-ylacetamide;1-ethyl-3-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]urea;(2S)-N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]-1-methylpyrrolidine-2-carboxamide;N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]-2-morpholin-4-ylacetamide;N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]-2-oxoimidazolidine-4-carboxamide is sourced from PubChem (CID 161064204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).