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

C94H82F8N18O7S2 — CID 160663485

IUPACN-[6-fluoro-3-[(E)-2-(3-fluorophenyl)ethenyl]-1H-indazol-5-yl]-1-hydroxycyclopropane-1-carboxamide;N-[6-fluoro-3-[(E)-2-(3-fluorophenyl)ethenyl]-1H-indazol-5-yl]-1-(methylamino)cyclopropane-1-carboxamide;N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]-1-(methylamino)cyclopropane-1-carboxamide;N-[6-fluoro-3-[(E)-2-thiophen-2-ylethenyl]-1H-indazol-5-yl]-1-hydroxycyclopropane-1-carboxamide;N-[6-fluoro-3-[(E)-2-thiophen-2-ylethenyl]-1H-indazol-5-yl]-1-(methylamino)cyclopropane-1-carboxamide
SMILESCNC1(C(=O)Nc2cc3c(/C=C/c4ccc(F)cc4)n[nH]c3cc2F)CC1.CNC1(C(=O)Nc2cc3c(/C=C/c4cccc(F)c4)n[nH]c3cc2F)CC1.CNC1(C(=O)Nc2cc3c(/C=C/c4cccs4)n[nH]c3cc2F)CC1.O=C(Nc1cc2c(/C=C/c3cccc(F)c3)n[nH]c2cc1F)C1(O)CC1.O=C(Nc1cc2c(/C=C/c3cccs3)n[nH]c2cc1F)C1(O)CC1
InChIInChI=1S/2C20H18F2N4O.C19H15F2N3O2.C18H17FN4OS.C17H14FN3O2S/c1-23-20(8-9-20)19(27)24-18-10-14-16(25-26-17(14)11-15(18)22)7-4-12-2-5-13(21)6-3-12;1-23-20(7-8-20)19(27)24-18-10-14-16(25-26-17(14)11-15(18)22)6-5-12-3-2-4-13(21)9-12;20-12-3-1-2-11(8-12)4-5-15-13-9-17(14(21)10-16(13)24-23-15)22-18(25)19(26)6-7-19;1-20-18(6-7-18)17(24)21-16-9-12-14(5-4-11-3-2-8-25-11)22-23-15(12)10-13(16)19;18-12-9-14-11(8-15(12)19-16(22)17(23)5-6-17)13(20-21-14)4-3-10-2-1-7-24-10/h2-7,10-11,23H,8-9H2,1H3,(H,24,27)(H,25,26);2-6,9-11,23H,7-8H2,1H3,(H,24,27)(H,25,26);1-5,8-10,26H,6-7H2,(H,22,25)(H,23,24);2-5,8-10,20H,6-7H2,1H3,(H,21,24)(H,22,23);1-4,7-9,23H,5-6H2,(H,19,22)(H,20,21)/b7-4+;6-5+;2*5-4+;4-3+
InChIKeyRLZCWPMDXJTPEE-MYHLMWBKSA-N
MW1791.93 g/mol
LogP17.90
Rot. Bonds23

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

N-[6-fluoro-3-[(E)-2-(3-fluorophenyl)ethenyl]-1H-indazol-5-yl]-1-hydroxycyclopropane-1-carboxamide;N-[6-fluoro-3-[(E)-2-(3-fluorophenyl)ethenyl]-1H-indazol-5-yl]-1-(methylamino)cyclopropane-1-carboxamide;N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]-1-(methylamino)cyclopropane-1-carboxamide;N-[6-fluoro-3-[(E)-2-thiophen-2-ylethenyl]-1H-indazol-5-yl]-1-hydroxycyclopropane-1-carboxamide;N-[6-fluoro-3-[(E)-2-thiophen-2-ylethenyl]-1H-indazol-5-yl]-1-(methylamino)cyclopropane-1-carboxamide (PubChem CID 160663485) has the molecular formula C94H82F8N18O7S2 and a molecular weight of 1791.93 g/mol. Its IUPAC name is N-[6-fluoro-3-[(E)-2-(3-fluorophenyl)ethenyl]-1H-indazol-5-yl]-1-hydroxycyclopropane-1-carboxamide;N-[6-fluoro-3-[(E)-2-(3-fluorophenyl)ethenyl]-1H-indazol-5-yl]-1-(methylamino)cyclopropane-1-carboxamide;N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]-1-(methylamino)cyclopropane-1-carboxamide;N-[6-fluoro-3-[(E)-2-thiophen-2-ylethenyl]-1H-indazol-5-yl]-1-hydroxycyclopropane-1-carboxamide;N-[6-fluoro-3-[(E)-2-thiophen-2-ylethenyl]-1H-indazol-5-yl]-1-(methylamino)cyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-[6-fluoro-3-[(E)-2-(3-fluorophenyl)ethenyl]-1H-indazol-5-yl]-1-hydroxycyclopropane-1-carboxamide;N-[6-fluoro-3-[(E)-2-(3-fluorophenyl)ethenyl]-1H-indazol-5-yl]-1-(methylamino)cyclopropane-1-carboxamide;N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]-1-(methylamino)cyclopropane-1-carboxamide;N-[6-fluoro-3-[(E)-2-thiophen-2-ylethenyl]-1H-indazol-5-yl]-1-hydroxycyclopropane-1-carboxamide;N-[6-fluoro-3-[(E)-2-thiophen-2-ylethenyl]-1H-indazol-5-yl]-1-(methylamino)cyclopropane-1-carboxamide
PubChem CID160663485
Molecular FormulaC94H82F8N18O7S2
Molecular Weight1791.93 g/mol
Exact Mass1790.59
IUPAC NameN-[6-fluoro-3-[(E)-2-(3-fluorophenyl)ethenyl]-1H-indazol-5-yl]-1-hydroxycyclopropane-1-carboxamide;N-[6-fluoro-3-[(E)-2-(3-fluorophenyl)ethenyl]-1H-indazol-5-yl]-1-(methylamino)cyclopropane-1-carboxamide;N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]-1-(methylamino)cyclopropane-1-carboxamide;N-[6-fluoro-3-[(E)-2-thiophen-2-ylethenyl]-1H-indazol-5-yl]-1-hydroxycyclopropane-1-carboxamide;N-[6-fluoro-3-[(E)-2-thiophen-2-ylethenyl]-1H-indazol-5-yl]-1-(methylamino)cyclopropane-1-carboxamide
SMILESCNC1(C(=O)Nc2cc3c(/C=C/c4ccc(F)cc4)n[nH]c3cc2F)CC1.CNC1(C(=O)Nc2cc3c(/C=C/c4cccc(F)c4)n[nH]c3cc2F)CC1.CNC1(C(=O)Nc2cc3c(/C=C/c4cccs4)n[nH]c3cc2F)CC1.O=C(Nc1cc2c(/C=C/c3cccc(F)c3)n[nH]c2cc1F)C1(O)CC1.O=C(Nc1cc2c(/C=C/c3cccs3)n[nH]c2cc1F)C1(O)CC1
InChIInChI=1S/2C20H18F2N4O.C19H15F2N3O2.C18H17FN4OS.C17H14FN3O2S/c1-23-20(8-9-20)19(27)24-18-10-14-16(25-26-17(14)11-15(18)22)7-4-12-2-5-13(21)6-3-12;1-23-20(7-8-20)19(27)24-18-10-14-16(25-26-17(14)11-15(18)22)6-5-12-3-2-4-13(21)9-12;20-12-3-1-2-11(8-12)4-5-15-13-9-17(14(21)10-16(13)24-23-15)22-18(25)19(26)6-7-19;1-20-18(6-7-18)17(24)21-16-9-12-14(5-4-11-3-2-8-25-11)22-23-15(12)10-13(16)19;18-12-9-14-11(8-15(12)19-16(22)17(23)5-6-17)13(20-21-14)4-3-10-2-1-7-24-10/h2-7,10-11,23H,8-9H2,1H3,(H,24,27)(H,25,26);2-6,9-11,23H,7-8H2,1H3,(H,24,27)(H,25,26);1-5,8-10,26H,6-7H2,(H,22,25)(H,23,24);2-5,8-10,20H,6-7H2,1H3,(H,21,24)(H,22,23);1-4,7-9,23H,5-6H2,(H,19,22)(H,20,21)/b7-4+;6-5+;2*5-4+;4-3+
InChIKeyRLZCWPMDXJTPEE-MYHLMWBKSA-N
XLogP17.90
TPSA365.45 Ų
H-Bond Donors15
H-Bond Acceptors17
Rotatable Bonds23
Heavy Atoms129
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001791.93
LogP ≤ 517.90
H-Bond Donors ≤ 515
H-Bond Acceptors ≤ 1017

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

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Frequently Asked Questions

What is the IUPAC name of N-[6-fluoro-3-[(E)-2-(3-fluorophenyl)ethenyl]-1H-indazol-5-yl]-1-hydroxycyclopropane-1-carboxamide;N-[6-fluoro-3-[(E)-2-(3-fluorophenyl)ethenyl]-1H-indazol-5-yl]-1-(methylamino)cyclopropane-1-carboxamide;N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]-1-(methylamino)cyclopropane-1-carboxamide;N-[6-fluoro-3-[(E)-2-thiophen-2-ylethenyl]-1H-indazol-5-yl]-1-hydroxycyclopropane-1-carboxamide;N-[6-fluoro-3-[(E)-2-thiophen-2-ylethenyl]-1H-indazol-5-yl]-1-(methylamino)cyclopropane-1-carboxamide?
The IUPAC name of N-[6-fluoro-3-[(E)-2-(3-fluorophenyl)ethenyl]-1H-indazol-5-yl]-1-hydroxycyclopropane-1-carboxamide;N-[6-fluoro-3-[(E)-2-(3-fluorophenyl)ethenyl]-1H-indazol-5-yl]-1-(methylamino)cyclopropane-1-carboxamide;N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]-1-(methylamino)cyclopropane-1-carboxamide;N-[6-fluoro-3-[(E)-2-thiophen-2-ylethenyl]-1H-indazol-5-yl]-1-hydroxycyclopropane-1-carboxamide;N-[6-fluoro-3-[(E)-2-thiophen-2-ylethenyl]-1H-indazol-5-yl]-1-(methylamino)cyclopropane-1-carboxamide (CID 160663485) is N-[6-fluoro-3-[(E)-2-(3-fluorophenyl)ethenyl]-1H-indazol-5-yl]-1-hydroxycyclopropane-1-carboxamide;N-[6-fluoro-3-[(E)-2-(3-fluorophenyl)ethenyl]-1H-indazol-5-yl]-1-(methylamino)cyclopropane-1-carboxamide;N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]-1-(methylamino)cyclopropane-1-carboxamide;N-[6-fluoro-3-[(E)-2-thiophen-2-ylethenyl]-1H-indazol-5-yl]-1-hydroxycyclopropane-1-carboxamide;N-[6-fluoro-3-[(E)-2-thiophen-2-ylethenyl]-1H-indazol-5-yl]-1-(methylamino)cyclopropane-1-carboxamide.
What is the SMILES notation for N-[6-fluoro-3-[(E)-2-(3-fluorophenyl)ethenyl]-1H-indazol-5-yl]-1-hydroxycyclopropane-1-carboxamide;N-[6-fluoro-3-[(E)-2-(3-fluorophenyl)ethenyl]-1H-indazol-5-yl]-1-(methylamino)cyclopropane-1-carboxamide;N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]-1-(methylamino)cyclopropane-1-carboxamide;N-[6-fluoro-3-[(E)-2-thiophen-2-ylethenyl]-1H-indazol-5-yl]-1-hydroxycyclopropane-1-carboxamide;N-[6-fluoro-3-[(E)-2-thiophen-2-ylethenyl]-1H-indazol-5-yl]-1-(methylamino)cyclopropane-1-carboxamide?
The canonical SMILES for N-[6-fluoro-3-[(E)-2-(3-fluorophenyl)ethenyl]-1H-indazol-5-yl]-1-hydroxycyclopropane-1-carboxamide;N-[6-fluoro-3-[(E)-2-(3-fluorophenyl)ethenyl]-1H-indazol-5-yl]-1-(methylamino)cyclopropane-1-carboxamide;N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]-1-(methylamino)cyclopropane-1-carboxamide;N-[6-fluoro-3-[(E)-2-thiophen-2-ylethenyl]-1H-indazol-5-yl]-1-hydroxycyclopropane-1-carboxamide;N-[6-fluoro-3-[(E)-2-thiophen-2-ylethenyl]-1H-indazol-5-yl]-1-(methylamino)cyclopropane-1-carboxamide is CNC1(C(=O)Nc2cc3c(/C=C/c4ccc(F)cc4)n[nH]c3cc2F)CC1.CNC1(C(=O)Nc2cc3c(/C=C/c4cccc(F)c4)n[nH]c3cc2F)CC1.CNC1(C(=O)Nc2cc3c(/C=C/c4cccs4)n[nH]c3cc2F)CC1.O=C(Nc1cc2c(/C=C/c3cccc(F)c3)n[nH]c2cc1F)C1(O)CC1.O=C(Nc1cc2c(/C=C/c3cccs3)n[nH]c2cc1F)C1(O)CC1.
What is the InChIKey of N-[6-fluoro-3-[(E)-2-(3-fluorophenyl)ethenyl]-1H-indazol-5-yl]-1-hydroxycyclopropane-1-carboxamide;N-[6-fluoro-3-[(E)-2-(3-fluorophenyl)ethenyl]-1H-indazol-5-yl]-1-(methylamino)cyclopropane-1-carboxamide;N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]-1-(methylamino)cyclopropane-1-carboxamide;N-[6-fluoro-3-[(E)-2-thiophen-2-ylethenyl]-1H-indazol-5-yl]-1-hydroxycyclopropane-1-carboxamide;N-[6-fluoro-3-[(E)-2-thiophen-2-ylethenyl]-1H-indazol-5-yl]-1-(methylamino)cyclopropane-1-carboxamide?
The InChIKey is RLZCWPMDXJTPEE-MYHLMWBKSA-N. The full InChI is InChI=1S/2C20H18F2N4O.C19H15F2N3O2.C18H17FN4OS.C17H14FN3O2S/c1-23-20(8-9-20)19(27)24-18-10-14-16(25-26-17(14)11-15(18)22)7-4-12-2-5-13(21)6-3-12;1-23-20(7-8-20)19(27)24-18-10-14-16(25-26-17(14)11-15(18)22)6-5-12-3-2-4-13(21)9-12;20-12-3-1-2-11(8-12)4-5-15-13-9-17(14(21)10-16(13)24-23-15)22-18(25)19(26)6-7-19;1-20-18(6-7-18)17(24)21-16-9-12-14(5-4-11-3-2-8-25-11)22-23-15(12)10-13(16)19;18-12-9-14-11(8-15(12)19-16(22)17(23)5-6-17)13(20-21-14)4-3-10-2-1-7-24-10/h2-7,10-11,23H,8-9H2,1H3,(H,24,27)(H,25,26);2-6,9-11,23H,7-8H2,1H3,(H,24,27)(H,25,26);1-5,8-10,26H,6-7H2,(H,22,25)(H,23,24);2-5,8-10,20H,6-7H2,1H3,(H,21,24)(H,22,23);1-4,7-9,23H,5-6H2,(H,19,22)(H,20,21)/b7-4+;6-5+;2*5-4+;4-3+.
What are the key properties of N-[6-fluoro-3-[(E)-2-(3-fluorophenyl)ethenyl]-1H-indazol-5-yl]-1-hydroxycyclopropane-1-carboxamide;N-[6-fluoro-3-[(E)-2-(3-fluorophenyl)ethenyl]-1H-indazol-5-yl]-1-(methylamino)cyclopropane-1-carboxamide;N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]-1-(methylamino)cyclopropane-1-carboxamide;N-[6-fluoro-3-[(E)-2-thiophen-2-ylethenyl]-1H-indazol-5-yl]-1-hydroxycyclopropane-1-carboxamide;N-[6-fluoro-3-[(E)-2-thiophen-2-ylethenyl]-1H-indazol-5-yl]-1-(methylamino)cyclopropane-1-carboxamide?
N-[6-fluoro-3-[(E)-2-(3-fluorophenyl)ethenyl]-1H-indazol-5-yl]-1-hydroxycyclopropane-1-carboxamide;N-[6-fluoro-3-[(E)-2-(3-fluorophenyl)ethenyl]-1H-indazol-5-yl]-1-(methylamino)cyclopropane-1-carboxamide;N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]-1-(methylamino)cyclopropane-1-carboxamide;N-[6-fluoro-3-[(E)-2-thiophen-2-ylethenyl]-1H-indazol-5-yl]-1-hydroxycyclopropane-1-carboxamide;N-[6-fluoro-3-[(E)-2-thiophen-2-ylethenyl]-1H-indazol-5-yl]-1-(methylamino)cyclopropane-1-carboxamide has a molecular weight of 1791.93 g/mol, XLogP of 17.90, 23 rotatable bonds, 15 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-fluoro-3-[(E)-2-(3-fluorophenyl)ethenyl]-1H-indazol-5-yl]-1-hydroxycyclopropane-1-carboxamide;N-[6-fluoro-3-[(E)-2-(3-fluorophenyl)ethenyl]-1H-indazol-5-yl]-1-(methylamino)cyclopropane-1-carboxamide;N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]-1-(methylamino)cyclopropane-1-carboxamide;N-[6-fluoro-3-[(E)-2-thiophen-2-ylethenyl]-1H-indazol-5-yl]-1-hydroxycyclopropane-1-carboxamide;N-[6-fluoro-3-[(E)-2-thiophen-2-ylethenyl]-1H-indazol-5-yl]-1-(methylamino)cyclopropane-1-carboxamide is sourced from PubChem (CID 160663485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).