N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]-1-hydroxycyclopropane-1-carboxamide;N-[6-fluoro-3-[(E)-2-(3-fluorophenyl)ethenyl]-1H-indazol-5-yl]-1-(hydroxymethyl)cyclopropane-1-carboxamide;N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]-1-(hydroxymethyl)cyclopropane-1-carboxamide;(2S,4R)-N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]-4-hydroxypyrrolidine-2-carboxamide;N-[6-fluoro-3-[(E)-2-thiophen-2-ylethenyl]-1H-indazol-5-yl]-1-(hydroxymethyl)cyclopropane-1-carboxamide

C97H83F9N16O10S — CID 161260201

IUPACN-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]-1-hydroxycyclopropane-1-carboxamide;N-[6-fluoro-3-[(E)-2-(3-fluorophenyl)ethenyl]-1H-indazol-5-yl]-1-(hydroxymethyl)cyclopropane-1-carboxamide;N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]-1-(hydroxymethyl)cyclopropane-1-carboxamide;(2S,4R)-N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]-4-hydroxypyrrolidine-2-carboxamide;N-[6-fluoro-3-[(E)-2-thiophen-2-ylethenyl]-1H-indazol-5-yl]-1-(hydroxymethyl)cyclopropane-1-carboxamide
SMILESO=C(Nc1cc2c(/C=C/c3ccc(F)cc3)n[nH]c2cc1F)C1(CO)CC1.O=C(Nc1cc2c(/C=C/c3ccc(F)cc3)n[nH]c2cc1F)C1(O)CC1.O=C(Nc1cc2c(/C=C/c3ccc(F)cc3)n[nH]c2cc1F)[C@@H]1C[C@@H](O)CN1.O=C(Nc1cc2c(/C=C/c3cccc(F)c3)n[nH]c2cc1F)C1(CO)CC1.O=C(Nc1cc2c(/C=C/c3cccs3)n[nH]c2cc1F)C1(CO)CC1
InChIInChI=1S/C20H18F2N4O2.2C20H17F2N3O2.C19H15F2N3O2.C18H16FN3O2S/c21-12-4-1-11(2-5-12)3-6-16-14-8-18(15(22)9-17(14)26-25-16)24-20(28)19-7-13(27)10-23-19;21-13-4-1-12(2-5-13)3-6-16-14-9-18(15(22)10-17(14)25-24-16)23-19(27)20(11-26)7-8-20;21-13-3-1-2-12(8-13)4-5-16-14-9-18(15(22)10-17(14)25-24-16)23-19(27)20(11-26)6-7-20;20-12-4-1-11(2-5-12)3-6-15-13-9-17(14(21)10-16(13)24-23-15)22-18(25)19(26)7-8-19;19-13-9-15-12(8-16(13)20-17(24)18(10-23)5-6-18)14(21-22-15)4-3-11-2-1-7-25-11/h1-6,8-9,13,19,23,27H,7,10H2,(H,24,28)(H,25,26);1-6,9-10,26H,7-8,11H2,(H,23,27)(H,24,25);1-5,8-10,26H,6-7,11H2,(H,23,27)(H,24,25);1-6,9-10,26H,7-8H2,(H,22,25)(H,23,24);1-4,7-9,23H,5-6,10H2,(H,20,24)(H,21,22)/b2*6-3+;5-4+;6-3+;4-3+/t13-,19+;;;;/m1..../s1
InChIKeyVCLIMUIXJWPKCR-AHWVSYPISA-N
MW1835.88 g/mol
LogP17.24
Rot. Bonds23

About N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]-1-hydroxycyclopropane-1-carboxamide;N-[6-fluoro-3-[(E)-2-(3-fluorophenyl)ethenyl]-1H-indazol-5-yl]-1-(hydroxymethyl)cyclopropane-1-carboxamide;N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]-1-(hydroxymethyl)cyclopropane-1-carboxamide;(2S,4R)-N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]-4-hydroxypyrrolidine-2-carboxamide;N-[6-fluoro-3-[(E)-2-thiophen-2-ylethenyl]-1H-indazol-5-yl]-1-(hydroxymethyl)cyclopropane-1-carboxamide

N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]-1-hydroxycyclopropane-1-carboxamide;N-[6-fluoro-3-[(E)-2-(3-fluorophenyl)ethenyl]-1H-indazol-5-yl]-1-(hydroxymethyl)cyclopropane-1-carboxamide;N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]-1-(hydroxymethyl)cyclopropane-1-carboxamide;(2S,4R)-N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]-4-hydroxypyrrolidine-2-carboxamide;N-[6-fluoro-3-[(E)-2-thiophen-2-ylethenyl]-1H-indazol-5-yl]-1-(hydroxymethyl)cyclopropane-1-carboxamide (PubChem CID 161260201) has the molecular formula C97H83F9N16O10S and a molecular weight of 1835.88 g/mol. Its IUPAC name is N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]-1-hydroxycyclopropane-1-carboxamide;N-[6-fluoro-3-[(E)-2-(3-fluorophenyl)ethenyl]-1H-indazol-5-yl]-1-(hydroxymethyl)cyclopropane-1-carboxamide;N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]-1-(hydroxymethyl)cyclopropane-1-carboxamide;(2S,4R)-N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]-4-hydroxypyrrolidine-2-carboxamide;N-[6-fluoro-3-[(E)-2-thiophen-2-ylethenyl]-1H-indazol-5-yl]-1-(hydroxymethyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]-1-hydroxycyclopropane-1-carboxamide;N-[6-fluoro-3-[(E)-2-(3-fluorophenyl)ethenyl]-1H-indazol-5-yl]-1-(hydroxymethyl)cyclopropane-1-carboxamide;N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]-1-(hydroxymethyl)cyclopropane-1-carboxamide;(2S,4R)-N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]-4-hydroxypyrrolidine-2-carboxamide;N-[6-fluoro-3-[(E)-2-thiophen-2-ylethenyl]-1H-indazol-5-yl]-1-(hydroxymethyl)cyclopropane-1-carboxamide
PubChem CID161260201
Molecular FormulaC97H83F9N16O10S
Molecular Weight1835.88 g/mol
Exact Mass1834.61
IUPAC NameN-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]-1-hydroxycyclopropane-1-carboxamide;N-[6-fluoro-3-[(E)-2-(3-fluorophenyl)ethenyl]-1H-indazol-5-yl]-1-(hydroxymethyl)cyclopropane-1-carboxamide;N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]-1-(hydroxymethyl)cyclopropane-1-carboxamide;(2S,4R)-N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]-4-hydroxypyrrolidine-2-carboxamide;N-[6-fluoro-3-[(E)-2-thiophen-2-ylethenyl]-1H-indazol-5-yl]-1-(hydroxymethyl)cyclopropane-1-carboxamide
SMILESO=C(Nc1cc2c(/C=C/c3ccc(F)cc3)n[nH]c2cc1F)C1(CO)CC1.O=C(Nc1cc2c(/C=C/c3ccc(F)cc3)n[nH]c2cc1F)C1(O)CC1.O=C(Nc1cc2c(/C=C/c3ccc(F)cc3)n[nH]c2cc1F)[C@@H]1C[C@@H](O)CN1.O=C(Nc1cc2c(/C=C/c3cccc(F)c3)n[nH]c2cc1F)C1(CO)CC1.O=C(Nc1cc2c(/C=C/c3cccs3)n[nH]c2cc1F)C1(CO)CC1
InChIInChI=1S/C20H18F2N4O2.2C20H17F2N3O2.C19H15F2N3O2.C18H16FN3O2S/c21-12-4-1-11(2-5-12)3-6-16-14-8-18(15(22)9-17(14)26-25-16)24-20(28)19-7-13(27)10-23-19;21-13-4-1-12(2-5-13)3-6-16-14-9-18(15(22)10-17(14)25-24-16)23-19(27)20(11-26)7-8-20;21-13-3-1-2-12(8-13)4-5-16-14-9-18(15(22)10-17(14)25-24-16)23-19(27)20(11-26)6-7-20;20-12-4-1-11(2-5-12)3-6-15-13-9-17(14(21)10-16(13)24-23-15)22-18(25)19(26)7-8-19;19-13-9-15-12(8-16(13)20-17(24)18(10-23)5-6-18)14(21-22-15)4-3-11-2-1-7-25-11/h1-6,8-9,13,19,23,27H,7,10H2,(H,24,28)(H,25,26);1-6,9-10,26H,7-8,11H2,(H,23,27)(H,24,25);1-5,8-10,26H,6-7,11H2,(H,23,27)(H,24,25);1-6,9-10,26H,7-8H2,(H,22,25)(H,23,24);1-4,7-9,23H,5-6,10H2,(H,20,24)(H,21,22)/b2*6-3+;5-4+;6-3+;4-3+/t13-,19+;;;;/m1..../s1
InChIKeyVCLIMUIXJWPKCR-AHWVSYPISA-N
XLogP17.24
TPSA402.08 Ų
H-Bond Donors16
H-Bond Acceptors17
Rotatable Bonds23
Heavy Atoms133
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001835.88
LogP ≤ 517.24
H-Bond Donors ≤ 516
H-Bond Acceptors ≤ 1017

Analyze N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]-1-hydroxycyclopropane-1-carboxamide;N-[6-fluoro-3-[(E)-2-(3-fluorophenyl)ethenyl]-1H-indazol-5-yl]-1-(hydroxymethyl)cyclopropane-1-carboxamide;N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]-1-(hydroxymethyl)cyclopropane-1-carboxamide;(2S,4R)-N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]-4-hydroxypyrrolidine-2-carboxamide;N-[6-fluoro-3-[(E)-2-thiophen-2-ylethenyl]-1H-indazol-5-yl]-1-(hydroxymethyl)cyclopropane-1-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]-1-hydroxycyclopropane-1-carboxamide;N-[6-fluoro-3-[(E)-2-(3-fluorophenyl)ethenyl]-1H-indazol-5-yl]-1-(hydroxymethyl)cyclopropane-1-carboxamide;N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]-1-(hydroxymethyl)cyclopropane-1-carboxamide;(2S,4R)-N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]-4-hydroxypyrrolidine-2-carboxamide;N-[6-fluoro-3-[(E)-2-thiophen-2-ylethenyl]-1H-indazol-5-yl]-1-(hydroxymethyl)cyclopropane-1-carboxamide?
The IUPAC name of N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]-1-hydroxycyclopropane-1-carboxamide;N-[6-fluoro-3-[(E)-2-(3-fluorophenyl)ethenyl]-1H-indazol-5-yl]-1-(hydroxymethyl)cyclopropane-1-carboxamide;N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]-1-(hydroxymethyl)cyclopropane-1-carboxamide;(2S,4R)-N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]-4-hydroxypyrrolidine-2-carboxamide;N-[6-fluoro-3-[(E)-2-thiophen-2-ylethenyl]-1H-indazol-5-yl]-1-(hydroxymethyl)cyclopropane-1-carboxamide (CID 161260201) is N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]-1-hydroxycyclopropane-1-carboxamide;N-[6-fluoro-3-[(E)-2-(3-fluorophenyl)ethenyl]-1H-indazol-5-yl]-1-(hydroxymethyl)cyclopropane-1-carboxamide;N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]-1-(hydroxymethyl)cyclopropane-1-carboxamide;(2S,4R)-N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]-4-hydroxypyrrolidine-2-carboxamide;N-[6-fluoro-3-[(E)-2-thiophen-2-ylethenyl]-1H-indazol-5-yl]-1-(hydroxymethyl)cyclopropane-1-carboxamide.
What is the SMILES notation for N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]-1-hydroxycyclopropane-1-carboxamide;N-[6-fluoro-3-[(E)-2-(3-fluorophenyl)ethenyl]-1H-indazol-5-yl]-1-(hydroxymethyl)cyclopropane-1-carboxamide;N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]-1-(hydroxymethyl)cyclopropane-1-carboxamide;(2S,4R)-N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]-4-hydroxypyrrolidine-2-carboxamide;N-[6-fluoro-3-[(E)-2-thiophen-2-ylethenyl]-1H-indazol-5-yl]-1-(hydroxymethyl)cyclopropane-1-carboxamide?
The canonical SMILES for N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]-1-hydroxycyclopropane-1-carboxamide;N-[6-fluoro-3-[(E)-2-(3-fluorophenyl)ethenyl]-1H-indazol-5-yl]-1-(hydroxymethyl)cyclopropane-1-carboxamide;N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]-1-(hydroxymethyl)cyclopropane-1-carboxamide;(2S,4R)-N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]-4-hydroxypyrrolidine-2-carboxamide;N-[6-fluoro-3-[(E)-2-thiophen-2-ylethenyl]-1H-indazol-5-yl]-1-(hydroxymethyl)cyclopropane-1-carboxamide is O=C(Nc1cc2c(/C=C/c3ccc(F)cc3)n[nH]c2cc1F)C1(CO)CC1.O=C(Nc1cc2c(/C=C/c3ccc(F)cc3)n[nH]c2cc1F)C1(O)CC1.O=C(Nc1cc2c(/C=C/c3ccc(F)cc3)n[nH]c2cc1F)[C@@H]1C[C@@H](O)CN1.O=C(Nc1cc2c(/C=C/c3cccc(F)c3)n[nH]c2cc1F)C1(CO)CC1.O=C(Nc1cc2c(/C=C/c3cccs3)n[nH]c2cc1F)C1(CO)CC1.
What is the InChIKey of N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]-1-hydroxycyclopropane-1-carboxamide;N-[6-fluoro-3-[(E)-2-(3-fluorophenyl)ethenyl]-1H-indazol-5-yl]-1-(hydroxymethyl)cyclopropane-1-carboxamide;N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]-1-(hydroxymethyl)cyclopropane-1-carboxamide;(2S,4R)-N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]-4-hydroxypyrrolidine-2-carboxamide;N-[6-fluoro-3-[(E)-2-thiophen-2-ylethenyl]-1H-indazol-5-yl]-1-(hydroxymethyl)cyclopropane-1-carboxamide?
The InChIKey is VCLIMUIXJWPKCR-AHWVSYPISA-N. The full InChI is InChI=1S/C20H18F2N4O2.2C20H17F2N3O2.C19H15F2N3O2.C18H16FN3O2S/c21-12-4-1-11(2-5-12)3-6-16-14-8-18(15(22)9-17(14)26-25-16)24-20(28)19-7-13(27)10-23-19;21-13-4-1-12(2-5-13)3-6-16-14-9-18(15(22)10-17(14)25-24-16)23-19(27)20(11-26)7-8-20;21-13-3-1-2-12(8-13)4-5-16-14-9-18(15(22)10-17(14)25-24-16)23-19(27)20(11-26)6-7-20;20-12-4-1-11(2-5-12)3-6-15-13-9-17(14(21)10-16(13)24-23-15)22-18(25)19(26)7-8-19;19-13-9-15-12(8-16(13)20-17(24)18(10-23)5-6-18)14(21-22-15)4-3-11-2-1-7-25-11/h1-6,8-9,13,19,23,27H,7,10H2,(H,24,28)(H,25,26);1-6,9-10,26H,7-8,11H2,(H,23,27)(H,24,25);1-5,8-10,26H,6-7,11H2,(H,23,27)(H,24,25);1-6,9-10,26H,7-8H2,(H,22,25)(H,23,24);1-4,7-9,23H,5-6,10H2,(H,20,24)(H,21,22)/b2*6-3+;5-4+;6-3+;4-3+/t13-,19+;;;;/m1..../s1.
What are the key properties of N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]-1-hydroxycyclopropane-1-carboxamide;N-[6-fluoro-3-[(E)-2-(3-fluorophenyl)ethenyl]-1H-indazol-5-yl]-1-(hydroxymethyl)cyclopropane-1-carboxamide;N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]-1-(hydroxymethyl)cyclopropane-1-carboxamide;(2S,4R)-N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]-4-hydroxypyrrolidine-2-carboxamide;N-[6-fluoro-3-[(E)-2-thiophen-2-ylethenyl]-1H-indazol-5-yl]-1-(hydroxymethyl)cyclopropane-1-carboxamide?
N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]-1-hydroxycyclopropane-1-carboxamide;N-[6-fluoro-3-[(E)-2-(3-fluorophenyl)ethenyl]-1H-indazol-5-yl]-1-(hydroxymethyl)cyclopropane-1-carboxamide;N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]-1-(hydroxymethyl)cyclopropane-1-carboxamide;(2S,4R)-N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]-4-hydroxypyrrolidine-2-carboxamide;N-[6-fluoro-3-[(E)-2-thiophen-2-ylethenyl]-1H-indazol-5-yl]-1-(hydroxymethyl)cyclopropane-1-carboxamide has a molecular weight of 1835.88 g/mol, XLogP of 17.24, 23 rotatable bonds, 16 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]-1-hydroxycyclopropane-1-carboxamide;N-[6-fluoro-3-[(E)-2-(3-fluorophenyl)ethenyl]-1H-indazol-5-yl]-1-(hydroxymethyl)cyclopropane-1-carboxamide;N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]-1-(hydroxymethyl)cyclopropane-1-carboxamide;(2S,4R)-N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]-4-hydroxypyrrolidine-2-carboxamide;N-[6-fluoro-3-[(E)-2-thiophen-2-ylethenyl]-1H-indazol-5-yl]-1-(hydroxymethyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 161260201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).