N-[6-fluoro-3-[(E)-2-pyridin-3-ylethenyl]-1H-indazol-5-yl]acetamide;N-[6-fluoro-3-[(E)-2-pyridin-3-ylethenyl]-1H-indazol-5-yl]cyclopropanecarboxamide;1-N'-[6-fluoro-3-[(E)-2-pyridin-3-ylethenyl]-1H-indazol-5-yl]cyclopropane-1,1-dicarboxamide;N-[6-fluoro-3-[(E)-2-pyridin-3-ylethenyl]-1H-indazol-5-yl]-1-hydroxycyclopropane-1-carboxamide

C71H59F4N17O6 — CID 162261363

IUPACN-[6-fluoro-3-[(E)-2-pyridin-3-ylethenyl]-1H-indazol-5-yl]acetamide;N-[6-fluoro-3-[(E)-2-pyridin-3-ylethenyl]-1H-indazol-5-yl]cyclopropanecarboxamide;1-N'-[6-fluoro-3-[(E)-2-pyridin-3-ylethenyl]-1H-indazol-5-yl]cyclopropane-1,1-dicarboxamide;N-[6-fluoro-3-[(E)-2-pyridin-3-ylethenyl]-1H-indazol-5-yl]-1-hydroxycyclopropane-1-carboxamide
SMILESCC(=O)Nc1cc2c(/C=C/c3cccnc3)n[nH]c2cc1F.NC(=O)C1(C(=O)Nc2cc3c(/C=C/c4cccnc4)n[nH]c3cc2F)CC1.O=C(Nc1cc2c(/C=C/c3cccnc3)n[nH]c2cc1F)C1(O)CC1.O=C(Nc1cc2c(/C=C/c3cccnc3)n[nH]c2cc1F)C1CC1
InChIInChI=1S/C19H16FN5O2.C18H15FN4O2.C18H15FN4O.C16H13FN4O/c20-13-9-15-12(8-16(13)23-18(27)19(5-6-19)17(21)26)14(24-25-15)4-3-11-2-1-7-22-10-11;19-13-9-15-12(8-16(13)21-17(24)18(25)5-6-18)14(22-23-15)4-3-11-2-1-7-20-10-11;19-14-9-16-13(8-17(14)21-18(24)12-4-5-12)15(22-23-16)6-3-11-2-1-7-20-10-11;1-10(22)19-16-7-12-14(20-21-15(12)8-13(16)17)5-4-11-3-2-6-18-9-11/h1-4,7-10H,5-6H2,(H2,21,26)(H,23,27)(H,24,25);1-4,7-10,25H,5-6H2,(H,21,24)(H,22,23);1-3,6-10,12H,4-5H2,(H,21,24)(H,22,23);2-9H,1H3,(H,19,22)(H,20,21)/b2*4-3+;6-3+;5-4+
InChIKeyZZHIWIKNFTVRIV-HZVBSDJOSA-N
MW1322.36 g/mol
LogP12.04
Rot. Bonds16

About N-[6-fluoro-3-[(E)-2-pyridin-3-ylethenyl]-1H-indazol-5-yl]acetamide;N-[6-fluoro-3-[(E)-2-pyridin-3-ylethenyl]-1H-indazol-5-yl]cyclopropanecarboxamide;1-N'-[6-fluoro-3-[(E)-2-pyridin-3-ylethenyl]-1H-indazol-5-yl]cyclopropane-1,1-dicarboxamide;N-[6-fluoro-3-[(E)-2-pyridin-3-ylethenyl]-1H-indazol-5-yl]-1-hydroxycyclopropane-1-carboxamide

N-[6-fluoro-3-[(E)-2-pyridin-3-ylethenyl]-1H-indazol-5-yl]acetamide;N-[6-fluoro-3-[(E)-2-pyridin-3-ylethenyl]-1H-indazol-5-yl]cyclopropanecarboxamide;1-N'-[6-fluoro-3-[(E)-2-pyridin-3-ylethenyl]-1H-indazol-5-yl]cyclopropane-1,1-dicarboxamide;N-[6-fluoro-3-[(E)-2-pyridin-3-ylethenyl]-1H-indazol-5-yl]-1-hydroxycyclopropane-1-carboxamide (PubChem CID 162261363) has the molecular formula C71H59F4N17O6 and a molecular weight of 1322.36 g/mol. Its IUPAC name is N-[6-fluoro-3-[(E)-2-pyridin-3-ylethenyl]-1H-indazol-5-yl]acetamide;N-[6-fluoro-3-[(E)-2-pyridin-3-ylethenyl]-1H-indazol-5-yl]cyclopropanecarboxamide;1-N'-[6-fluoro-3-[(E)-2-pyridin-3-ylethenyl]-1H-indazol-5-yl]cyclopropane-1,1-dicarboxamide;N-[6-fluoro-3-[(E)-2-pyridin-3-ylethenyl]-1H-indazol-5-yl]-1-hydroxycyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-[6-fluoro-3-[(E)-2-pyridin-3-ylethenyl]-1H-indazol-5-yl]acetamide;N-[6-fluoro-3-[(E)-2-pyridin-3-ylethenyl]-1H-indazol-5-yl]cyclopropanecarboxamide;1-N'-[6-fluoro-3-[(E)-2-pyridin-3-ylethenyl]-1H-indazol-5-yl]cyclopropane-1,1-dicarboxamide;N-[6-fluoro-3-[(E)-2-pyridin-3-ylethenyl]-1H-indazol-5-yl]-1-hydroxycyclopropane-1-carboxamide
PubChem CID162261363
Molecular FormulaC71H59F4N17O6
Molecular Weight1322.36 g/mol
Exact Mass1321.48
IUPAC NameN-[6-fluoro-3-[(E)-2-pyridin-3-ylethenyl]-1H-indazol-5-yl]acetamide;N-[6-fluoro-3-[(E)-2-pyridin-3-ylethenyl]-1H-indazol-5-yl]cyclopropanecarboxamide;1-N'-[6-fluoro-3-[(E)-2-pyridin-3-ylethenyl]-1H-indazol-5-yl]cyclopropane-1,1-dicarboxamide;N-[6-fluoro-3-[(E)-2-pyridin-3-ylethenyl]-1H-indazol-5-yl]-1-hydroxycyclopropane-1-carboxamide
SMILESCC(=O)Nc1cc2c(/C=C/c3cccnc3)n[nH]c2cc1F.NC(=O)C1(C(=O)Nc2cc3c(/C=C/c4cccnc4)n[nH]c3cc2F)CC1.O=C(Nc1cc2c(/C=C/c3cccnc3)n[nH]c2cc1F)C1(O)CC1.O=C(Nc1cc2c(/C=C/c3cccnc3)n[nH]c2cc1F)C1CC1
InChIInChI=1S/C19H16FN5O2.C18H15FN4O2.C18H15FN4O.C16H13FN4O/c20-13-9-15-12(8-16(13)23-18(27)19(5-6-19)17(21)26)14(24-25-15)4-3-11-2-1-7-22-10-11;19-13-9-15-12(8-16(13)21-17(24)18(25)5-6-18)14(22-23-15)4-3-11-2-1-7-20-10-11;19-14-9-16-13(8-17(14)21-18(24)12-4-5-12)15(22-23-16)6-3-11-2-1-7-20-10-11;1-10(22)19-16-7-12-14(20-21-15(12)8-13(16)17)5-4-11-3-2-6-18-9-11/h1-4,7-10H,5-6H2,(H2,21,26)(H,23,27)(H,24,25);1-4,7-10,25H,5-6H2,(H,21,24)(H,22,23);1-3,6-10,12H,4-5H2,(H,21,24)(H,22,23);2-9H,1H3,(H,19,22)(H,20,21)/b2*4-3+;6-3+;5-4+
InChIKeyZZHIWIKNFTVRIV-HZVBSDJOSA-N
XLogP12.04
TPSA346.00 Ų
H-Bond Donors10
H-Bond Acceptors14
Rotatable Bonds16
Heavy Atoms98
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001322.36
LogP ≤ 512.04
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1014

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Analyze N-[6-fluoro-3-[(E)-2-pyridin-3-ylethenyl]-1H-indazol-5-yl]acetamide;N-[6-fluoro-3-[(E)-2-pyridin-3-ylethenyl]-1H-indazol-5-yl]cyclopropanecarboxamide;1-N'-[6-fluoro-3-[(E)-2-pyridin-3-ylethenyl]-1H-indazol-5-yl]cyclopropane-1,1-dicarboxamide;N-[6-fluoro-3-[(E)-2-pyridin-3-ylethenyl]-1H-indazol-5-yl]-1-hydroxycyclopropane-1-carboxamide with MolForge

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Related Compounds

cis-(1R,2S)-N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]-2-hydroxycyclopentane-1-carboxamide;N-[6-fluoro-3-[(E)-2-pyridin-3-ylethenyl]-1H-indazol-5-yl]acetamide;N-[6-fluoro-3-[(E)-2-pyridin-3-ylethenyl]-1H-indazol-5-yl]cyclopropanecarboxamide;1-N'-[6-fluoro-3-[(E)-2-pyridin-3-ylethenyl]-1H-indazol-5-yl]cyclopropane-1,1-dicarboxamide;N-[6-fluoro-3-[(E)-2-pyridin-3-ylethenyl]-1H-indazol-5-yl]-1-hydroxycyclopropane-1-carboxamide
CID 157586271
1-N'-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]cyclopropane-1,1-dicarboxamide;(3R)-N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]-3-hydroxy-3-phenylpropanamide;N-[6-fluoro-3-[(E)-2-pyridin-3-ylethenyl]-1H-indazol-5-yl]-3-hydroxy-2,2-dimethylpropanamide;N-[6-fluoro-3-[(E)-2-pyridin-3-ylethenyl]-1H-indazol-5-yl]-3-hydroxy-3-methylbutanamide
CID 160138761
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
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;3-[(E)-2-(3,4-difluorophenyl)ethenyl]-6-fluoro-1-methyl-5-nitroindazole
CID 161083755
(E)-N-tert-butyl-3-[5-[(3,5-difluorophenyl)methylamino]-2H-indazol-3-yl]prop-2-enamide;(E)-3-[5-[[(1R)-1-(3,5-difluorophenyl)ethyl]amino]-2H-indazol-3-yl]-1-[(3S)-3-hydroxypyrrolidin-1-yl]prop-2-en-1-one;N-[(1S)-1-(3,5-difluorophenyl)ethyl]-3-[(E)-2-pyridin-2-ylethenyl]-2H-indazol-5-amine;N-[(1R)-1-(3,5-difluorophenyl)ethyl]-3-[(E)-2-pyridin-2-ylethenyl]-2H-indazol-5-amine;(E)-3-[5-[(3,5-difluorophenyl)methylamino]-2H-indazol-3-yl]-N-ethylprop-2-enamide;(E)-3-[5-[(3,5-difluorophenyl)methylamino]-2H-indazol-3-yl]-N-methylprop-2-enamide
CID 167559663

Frequently Asked Questions

What is the IUPAC name of N-[6-fluoro-3-[(E)-2-pyridin-3-ylethenyl]-1H-indazol-5-yl]acetamide;N-[6-fluoro-3-[(E)-2-pyridin-3-ylethenyl]-1H-indazol-5-yl]cyclopropanecarboxamide;1-N'-[6-fluoro-3-[(E)-2-pyridin-3-ylethenyl]-1H-indazol-5-yl]cyclopropane-1,1-dicarboxamide;N-[6-fluoro-3-[(E)-2-pyridin-3-ylethenyl]-1H-indazol-5-yl]-1-hydroxycyclopropane-1-carboxamide?
The IUPAC name of N-[6-fluoro-3-[(E)-2-pyridin-3-ylethenyl]-1H-indazol-5-yl]acetamide;N-[6-fluoro-3-[(E)-2-pyridin-3-ylethenyl]-1H-indazol-5-yl]cyclopropanecarboxamide;1-N'-[6-fluoro-3-[(E)-2-pyridin-3-ylethenyl]-1H-indazol-5-yl]cyclopropane-1,1-dicarboxamide;N-[6-fluoro-3-[(E)-2-pyridin-3-ylethenyl]-1H-indazol-5-yl]-1-hydroxycyclopropane-1-carboxamide (CID 162261363) is N-[6-fluoro-3-[(E)-2-pyridin-3-ylethenyl]-1H-indazol-5-yl]acetamide;N-[6-fluoro-3-[(E)-2-pyridin-3-ylethenyl]-1H-indazol-5-yl]cyclopropanecarboxamide;1-N'-[6-fluoro-3-[(E)-2-pyridin-3-ylethenyl]-1H-indazol-5-yl]cyclopropane-1,1-dicarboxamide;N-[6-fluoro-3-[(E)-2-pyridin-3-ylethenyl]-1H-indazol-5-yl]-1-hydroxycyclopropane-1-carboxamide.
What is the SMILES notation for N-[6-fluoro-3-[(E)-2-pyridin-3-ylethenyl]-1H-indazol-5-yl]acetamide;N-[6-fluoro-3-[(E)-2-pyridin-3-ylethenyl]-1H-indazol-5-yl]cyclopropanecarboxamide;1-N'-[6-fluoro-3-[(E)-2-pyridin-3-ylethenyl]-1H-indazol-5-yl]cyclopropane-1,1-dicarboxamide;N-[6-fluoro-3-[(E)-2-pyridin-3-ylethenyl]-1H-indazol-5-yl]-1-hydroxycyclopropane-1-carboxamide?
The canonical SMILES for N-[6-fluoro-3-[(E)-2-pyridin-3-ylethenyl]-1H-indazol-5-yl]acetamide;N-[6-fluoro-3-[(E)-2-pyridin-3-ylethenyl]-1H-indazol-5-yl]cyclopropanecarboxamide;1-N'-[6-fluoro-3-[(E)-2-pyridin-3-ylethenyl]-1H-indazol-5-yl]cyclopropane-1,1-dicarboxamide;N-[6-fluoro-3-[(E)-2-pyridin-3-ylethenyl]-1H-indazol-5-yl]-1-hydroxycyclopropane-1-carboxamide is CC(=O)Nc1cc2c(/C=C/c3cccnc3)n[nH]c2cc1F.NC(=O)C1(C(=O)Nc2cc3c(/C=C/c4cccnc4)n[nH]c3cc2F)CC1.O=C(Nc1cc2c(/C=C/c3cccnc3)n[nH]c2cc1F)C1(O)CC1.O=C(Nc1cc2c(/C=C/c3cccnc3)n[nH]c2cc1F)C1CC1.
What is the InChIKey of N-[6-fluoro-3-[(E)-2-pyridin-3-ylethenyl]-1H-indazol-5-yl]acetamide;N-[6-fluoro-3-[(E)-2-pyridin-3-ylethenyl]-1H-indazol-5-yl]cyclopropanecarboxamide;1-N'-[6-fluoro-3-[(E)-2-pyridin-3-ylethenyl]-1H-indazol-5-yl]cyclopropane-1,1-dicarboxamide;N-[6-fluoro-3-[(E)-2-pyridin-3-ylethenyl]-1H-indazol-5-yl]-1-hydroxycyclopropane-1-carboxamide?
The InChIKey is ZZHIWIKNFTVRIV-HZVBSDJOSA-N. The full InChI is InChI=1S/C19H16FN5O2.C18H15FN4O2.C18H15FN4O.C16H13FN4O/c20-13-9-15-12(8-16(13)23-18(27)19(5-6-19)17(21)26)14(24-25-15)4-3-11-2-1-7-22-10-11;19-13-9-15-12(8-16(13)21-17(24)18(25)5-6-18)14(22-23-15)4-3-11-2-1-7-20-10-11;19-14-9-16-13(8-17(14)21-18(24)12-4-5-12)15(22-23-16)6-3-11-2-1-7-20-10-11;1-10(22)19-16-7-12-14(20-21-15(12)8-13(16)17)5-4-11-3-2-6-18-9-11/h1-4,7-10H,5-6H2,(H2,21,26)(H,23,27)(H,24,25);1-4,7-10,25H,5-6H2,(H,21,24)(H,22,23);1-3,6-10,12H,4-5H2,(H,21,24)(H,22,23);2-9H,1H3,(H,19,22)(H,20,21)/b2*4-3+;6-3+;5-4+.
What are the key properties of N-[6-fluoro-3-[(E)-2-pyridin-3-ylethenyl]-1H-indazol-5-yl]acetamide;N-[6-fluoro-3-[(E)-2-pyridin-3-ylethenyl]-1H-indazol-5-yl]cyclopropanecarboxamide;1-N'-[6-fluoro-3-[(E)-2-pyridin-3-ylethenyl]-1H-indazol-5-yl]cyclopropane-1,1-dicarboxamide;N-[6-fluoro-3-[(E)-2-pyridin-3-ylethenyl]-1H-indazol-5-yl]-1-hydroxycyclopropane-1-carboxamide?
N-[6-fluoro-3-[(E)-2-pyridin-3-ylethenyl]-1H-indazol-5-yl]acetamide;N-[6-fluoro-3-[(E)-2-pyridin-3-ylethenyl]-1H-indazol-5-yl]cyclopropanecarboxamide;1-N'-[6-fluoro-3-[(E)-2-pyridin-3-ylethenyl]-1H-indazol-5-yl]cyclopropane-1,1-dicarboxamide;N-[6-fluoro-3-[(E)-2-pyridin-3-ylethenyl]-1H-indazol-5-yl]-1-hydroxycyclopropane-1-carboxamide has a molecular weight of 1322.36 g/mol, XLogP of 12.04, 16 rotatable bonds, 10 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-fluoro-3-[(E)-2-pyridin-3-ylethenyl]-1H-indazol-5-yl]acetamide;N-[6-fluoro-3-[(E)-2-pyridin-3-ylethenyl]-1H-indazol-5-yl]cyclopropanecarboxamide;1-N'-[6-fluoro-3-[(E)-2-pyridin-3-ylethenyl]-1H-indazol-5-yl]cyclopropane-1,1-dicarboxamide;N-[6-fluoro-3-[(E)-2-pyridin-3-ylethenyl]-1H-indazol-5-yl]-1-hydroxycyclopropane-1-carboxamide is sourced from PubChem (CID 162261363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).