N-[6-fluoro-3-[(E)-2-(3-fluorophenyl)ethenyl]-1H-indazol-5-yl]-1-(hydroxymethyl)cyclopropane-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-(hydroxymethyl)cyclopropane-1-carboxamide

C78H69F7N14O6S — CID 159551176

IUPACN-[6-fluoro-3-[(E)-2-(3-fluorophenyl)ethenyl]-1H-indazol-5-yl]-1-(hydroxymethyl)cyclopropane-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-(hydroxymethyl)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.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/2C20H18F2N4O.C20H17F2N3O2.C18H16FN3O2S/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;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;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/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,6-7,11H2,(H,23,27)(H,24,25);1-4,7-9,23H,5-6,10H2,(H,20,24)(H,21,22)/b7-4+;6-5+;5-4+;4-3+
InChIKeyMFKGMGUFZDSYEO-AFNJOIKXSA-N
MW1463.55 g/mol
LogP14.77
Rot. Bonds20

About N-[6-fluoro-3-[(E)-2-(3-fluorophenyl)ethenyl]-1H-indazol-5-yl]-1-(hydroxymethyl)cyclopropane-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-(hydroxymethyl)cyclopropane-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-(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-(hydroxymethyl)cyclopropane-1-carboxamide (PubChem CID 159551176) has the molecular formula C78H69F7N14O6S and a molecular weight of 1463.55 g/mol. Its IUPAC name is N-[6-fluoro-3-[(E)-2-(3-fluorophenyl)ethenyl]-1H-indazol-5-yl]-1-(hydroxymethyl)cyclopropane-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-(hydroxymethyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-[6-fluoro-3-[(E)-2-(3-fluorophenyl)ethenyl]-1H-indazol-5-yl]-1-(hydroxymethyl)cyclopropane-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-(hydroxymethyl)cyclopropane-1-carboxamide
PubChem CID159551176
Molecular FormulaC78H69F7N14O6S
Molecular Weight1463.55 g/mol
Exact Mass1462.51
IUPAC NameN-[6-fluoro-3-[(E)-2-(3-fluorophenyl)ethenyl]-1H-indazol-5-yl]-1-(hydroxymethyl)cyclopropane-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-(hydroxymethyl)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.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/2C20H18F2N4O.C20H17F2N3O2.C18H16FN3O2S/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;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;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/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,6-7,11H2,(H,23,27)(H,24,25);1-4,7-9,23H,5-6,10H2,(H,20,24)(H,21,22)/b7-4+;6-5+;5-4+;4-3+
InChIKeyMFKGMGUFZDSYEO-AFNJOIKXSA-N
XLogP14.77
TPSA295.64 Ų
H-Bond Donors12
H-Bond Acceptors13
Rotatable Bonds20
Heavy Atoms106
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001463.55
LogP ≤ 514.77
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1013

Analyze N-[6-fluoro-3-[(E)-2-(3-fluorophenyl)ethenyl]-1H-indazol-5-yl]-1-(hydroxymethyl)cyclopropane-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-(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-(3-fluorophenyl)ethenyl]-1H-indazol-5-yl]-1-(hydroxymethyl)cyclopropane-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-(hydroxymethyl)cyclopropane-1-carboxamide?
The IUPAC name of N-[6-fluoro-3-[(E)-2-(3-fluorophenyl)ethenyl]-1H-indazol-5-yl]-1-(hydroxymethyl)cyclopropane-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-(hydroxymethyl)cyclopropane-1-carboxamide (CID 159551176) is N-[6-fluoro-3-[(E)-2-(3-fluorophenyl)ethenyl]-1H-indazol-5-yl]-1-(hydroxymethyl)cyclopropane-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-(hydroxymethyl)cyclopropane-1-carboxamide.
What is the SMILES notation for N-[6-fluoro-3-[(E)-2-(3-fluorophenyl)ethenyl]-1H-indazol-5-yl]-1-(hydroxymethyl)cyclopropane-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-(hydroxymethyl)cyclopropane-1-carboxamide?
The canonical SMILES for N-[6-fluoro-3-[(E)-2-(3-fluorophenyl)ethenyl]-1H-indazol-5-yl]-1-(hydroxymethyl)cyclopropane-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-(hydroxymethyl)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.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-(3-fluorophenyl)ethenyl]-1H-indazol-5-yl]-1-(hydroxymethyl)cyclopropane-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-(hydroxymethyl)cyclopropane-1-carboxamide?
The InChIKey is MFKGMGUFZDSYEO-AFNJOIKXSA-N. The full InChI is InChI=1S/2C20H18F2N4O.C20H17F2N3O2.C18H16FN3O2S/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;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;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/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,6-7,11H2,(H,23,27)(H,24,25);1-4,7-9,23H,5-6,10H2,(H,20,24)(H,21,22)/b7-4+;6-5+;5-4+;4-3+.
What are the key properties of N-[6-fluoro-3-[(E)-2-(3-fluorophenyl)ethenyl]-1H-indazol-5-yl]-1-(hydroxymethyl)cyclopropane-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-(hydroxymethyl)cyclopropane-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-(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-(hydroxymethyl)cyclopropane-1-carboxamide has a molecular weight of 1463.55 g/mol, XLogP of 14.77, 20 rotatable bonds, 12 hydrogen bond donors, and 13 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-(hydroxymethyl)cyclopropane-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-(hydroxymethyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 159551176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).