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

C86H87F7N16O4S — CID 159538118

IUPAC1-[(dimethylamino)methyl]-N-[6-fluoro-3-[(E)-2-(2-fluorophenyl)ethenyl]-1H-indazol-5-yl]cyclopropane-1-carboxamide;1-[(dimethylamino)methyl]-N-[6-fluoro-3-[(E)-2-(3-fluorophenyl)ethenyl]-1H-indazol-5-yl]cyclopropane-1-carboxamide;1-[(dimethylamino)methyl]-N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]cyclopropane-1-carboxamide;1-[(dimethylamino)methyl]-N-[6-fluoro-3-[(E)-2-thiophen-2-ylethenyl]-1H-indazol-5-yl]cyclopropane-1-carboxamide
SMILESCN(C)CC1(C(=O)Nc2cc3c(/C=C/c4ccc(F)cc4)n[nH]c3cc2F)CC1.CN(C)CC1(C(=O)Nc2cc3c(/C=C/c4cccc(F)c4)n[nH]c3cc2F)CC1.CN(C)CC1(C(=O)Nc2cc3c(/C=C/c4ccccc4F)n[nH]c3cc2F)CC1.CN(C)CC1(C(=O)Nc2cc3c(/C=C/c4cccs4)n[nH]c3cc2F)CC1
InChIInChI=1S/3C22H22F2N4O.C20H21FN4OS/c1-28(2)13-22(9-10-22)21(29)25-20-11-16-18(26-27-19(16)12-17(20)24)8-5-14-3-6-15(23)7-4-14;1-28(2)13-22(8-9-22)21(29)25-20-11-16-18(26-27-19(16)12-17(20)24)7-6-14-4-3-5-15(23)10-14;1-28(2)13-22(9-10-22)21(29)25-20-11-15-18(26-27-19(15)12-17(20)24)8-7-14-5-3-4-6-16(14)23;1-25(2)12-20(7-8-20)19(26)22-18-10-14-16(6-5-13-4-3-9-27-13)23-24-17(14)11-15(18)21/h3-8,11-12H,9-10,13H2,1-2H3,(H,25,29)(H,26,27);3-7,10-12H,8-9,13H2,1-2H3,(H,25,29)(H,26,27);3-8,11-12H,9-10,13H2,1-2H3,(H,25,29)(H,26,27);3-6,9-11H,7-8,12H2,1-2H3,(H,22,26)(H,23,24)/b8-5+;7-6+;8-7+;6-5+
InChIKeyMDVWFYPMWGYBOU-YUUAZJCOSA-N
MW1573.80 g/mol
LogP17.09
Rot. Bonds24

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

1-[(dimethylamino)methyl]-N-[6-fluoro-3-[(E)-2-(2-fluorophenyl)ethenyl]-1H-indazol-5-yl]cyclopropane-1-carboxamide;1-[(dimethylamino)methyl]-N-[6-fluoro-3-[(E)-2-(3-fluorophenyl)ethenyl]-1H-indazol-5-yl]cyclopropane-1-carboxamide;1-[(dimethylamino)methyl]-N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]cyclopropane-1-carboxamide;1-[(dimethylamino)methyl]-N-[6-fluoro-3-[(E)-2-thiophen-2-ylethenyl]-1H-indazol-5-yl]cyclopropane-1-carboxamide (PubChem CID 159538118) has the molecular formula C86H87F7N16O4S and a molecular weight of 1573.80 g/mol. Its IUPAC name is 1-[(dimethylamino)methyl]-N-[6-fluoro-3-[(E)-2-(2-fluorophenyl)ethenyl]-1H-indazol-5-yl]cyclopropane-1-carboxamide;1-[(dimethylamino)methyl]-N-[6-fluoro-3-[(E)-2-(3-fluorophenyl)ethenyl]-1H-indazol-5-yl]cyclopropane-1-carboxamide;1-[(dimethylamino)methyl]-N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]cyclopropane-1-carboxamide;1-[(dimethylamino)methyl]-N-[6-fluoro-3-[(E)-2-thiophen-2-ylethenyl]-1H-indazol-5-yl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-[(dimethylamino)methyl]-N-[6-fluoro-3-[(E)-2-(2-fluorophenyl)ethenyl]-1H-indazol-5-yl]cyclopropane-1-carboxamide;1-[(dimethylamino)methyl]-N-[6-fluoro-3-[(E)-2-(3-fluorophenyl)ethenyl]-1H-indazol-5-yl]cyclopropane-1-carboxamide;1-[(dimethylamino)methyl]-N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]cyclopropane-1-carboxamide;1-[(dimethylamino)methyl]-N-[6-fluoro-3-[(E)-2-thiophen-2-ylethenyl]-1H-indazol-5-yl]cyclopropane-1-carboxamide
PubChem CID159538118
Molecular FormulaC86H87F7N16O4S
Molecular Weight1573.80 g/mol
Exact Mass1572.67
IUPAC Name1-[(dimethylamino)methyl]-N-[6-fluoro-3-[(E)-2-(2-fluorophenyl)ethenyl]-1H-indazol-5-yl]cyclopropane-1-carboxamide;1-[(dimethylamino)methyl]-N-[6-fluoro-3-[(E)-2-(3-fluorophenyl)ethenyl]-1H-indazol-5-yl]cyclopropane-1-carboxamide;1-[(dimethylamino)methyl]-N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]cyclopropane-1-carboxamide;1-[(dimethylamino)methyl]-N-[6-fluoro-3-[(E)-2-thiophen-2-ylethenyl]-1H-indazol-5-yl]cyclopropane-1-carboxamide
SMILESCN(C)CC1(C(=O)Nc2cc3c(/C=C/c4ccc(F)cc4)n[nH]c3cc2F)CC1.CN(C)CC1(C(=O)Nc2cc3c(/C=C/c4cccc(F)c4)n[nH]c3cc2F)CC1.CN(C)CC1(C(=O)Nc2cc3c(/C=C/c4ccccc4F)n[nH]c3cc2F)CC1.CN(C)CC1(C(=O)Nc2cc3c(/C=C/c4cccs4)n[nH]c3cc2F)CC1
InChIInChI=1S/3C22H22F2N4O.C20H21FN4OS/c1-28(2)13-22(9-10-22)21(29)25-20-11-16-18(26-27-19(16)12-17(20)24)8-5-14-3-6-15(23)7-4-14;1-28(2)13-22(8-9-22)21(29)25-20-11-16-18(26-27-19(16)12-17(20)24)7-6-14-4-3-5-15(23)10-14;1-28(2)13-22(9-10-22)21(29)25-20-11-15-18(26-27-19(15)12-17(20)24)8-7-14-5-3-4-6-16(14)23;1-25(2)12-20(7-8-20)19(26)22-18-10-14-16(6-5-13-4-3-9-27-13)23-24-17(14)11-15(18)21/h3-8,11-12H,9-10,13H2,1-2H3,(H,25,29)(H,26,27);3-7,10-12H,8-9,13H2,1-2H3,(H,25,29)(H,26,27);3-8,11-12H,9-10,13H2,1-2H3,(H,25,29)(H,26,27);3-6,9-11H,7-8,12H2,1-2H3,(H,22,26)(H,23,24)/b8-5+;7-6+;8-7+;6-5+
InChIKeyMDVWFYPMWGYBOU-YUUAZJCOSA-N
XLogP17.09
TPSA244.08 Ų
H-Bond Donors8
H-Bond Acceptors13
Rotatable Bonds24
Heavy Atoms114
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001573.80
LogP ≤ 517.09
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1013

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

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Frequently Asked Questions

What is the IUPAC name of 1-[(dimethylamino)methyl]-N-[6-fluoro-3-[(E)-2-(2-fluorophenyl)ethenyl]-1H-indazol-5-yl]cyclopropane-1-carboxamide;1-[(dimethylamino)methyl]-N-[6-fluoro-3-[(E)-2-(3-fluorophenyl)ethenyl]-1H-indazol-5-yl]cyclopropane-1-carboxamide;1-[(dimethylamino)methyl]-N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]cyclopropane-1-carboxamide;1-[(dimethylamino)methyl]-N-[6-fluoro-3-[(E)-2-thiophen-2-ylethenyl]-1H-indazol-5-yl]cyclopropane-1-carboxamide?
The IUPAC name of 1-[(dimethylamino)methyl]-N-[6-fluoro-3-[(E)-2-(2-fluorophenyl)ethenyl]-1H-indazol-5-yl]cyclopropane-1-carboxamide;1-[(dimethylamino)methyl]-N-[6-fluoro-3-[(E)-2-(3-fluorophenyl)ethenyl]-1H-indazol-5-yl]cyclopropane-1-carboxamide;1-[(dimethylamino)methyl]-N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]cyclopropane-1-carboxamide;1-[(dimethylamino)methyl]-N-[6-fluoro-3-[(E)-2-thiophen-2-ylethenyl]-1H-indazol-5-yl]cyclopropane-1-carboxamide (CID 159538118) is 1-[(dimethylamino)methyl]-N-[6-fluoro-3-[(E)-2-(2-fluorophenyl)ethenyl]-1H-indazol-5-yl]cyclopropane-1-carboxamide;1-[(dimethylamino)methyl]-N-[6-fluoro-3-[(E)-2-(3-fluorophenyl)ethenyl]-1H-indazol-5-yl]cyclopropane-1-carboxamide;1-[(dimethylamino)methyl]-N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]cyclopropane-1-carboxamide;1-[(dimethylamino)methyl]-N-[6-fluoro-3-[(E)-2-thiophen-2-ylethenyl]-1H-indazol-5-yl]cyclopropane-1-carboxamide.
What is the SMILES notation for 1-[(dimethylamino)methyl]-N-[6-fluoro-3-[(E)-2-(2-fluorophenyl)ethenyl]-1H-indazol-5-yl]cyclopropane-1-carboxamide;1-[(dimethylamino)methyl]-N-[6-fluoro-3-[(E)-2-(3-fluorophenyl)ethenyl]-1H-indazol-5-yl]cyclopropane-1-carboxamide;1-[(dimethylamino)methyl]-N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]cyclopropane-1-carboxamide;1-[(dimethylamino)methyl]-N-[6-fluoro-3-[(E)-2-thiophen-2-ylethenyl]-1H-indazol-5-yl]cyclopropane-1-carboxamide?
The canonical SMILES for 1-[(dimethylamino)methyl]-N-[6-fluoro-3-[(E)-2-(2-fluorophenyl)ethenyl]-1H-indazol-5-yl]cyclopropane-1-carboxamide;1-[(dimethylamino)methyl]-N-[6-fluoro-3-[(E)-2-(3-fluorophenyl)ethenyl]-1H-indazol-5-yl]cyclopropane-1-carboxamide;1-[(dimethylamino)methyl]-N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]cyclopropane-1-carboxamide;1-[(dimethylamino)methyl]-N-[6-fluoro-3-[(E)-2-thiophen-2-ylethenyl]-1H-indazol-5-yl]cyclopropane-1-carboxamide is CN(C)CC1(C(=O)Nc2cc3c(/C=C/c4ccc(F)cc4)n[nH]c3cc2F)CC1.CN(C)CC1(C(=O)Nc2cc3c(/C=C/c4cccc(F)c4)n[nH]c3cc2F)CC1.CN(C)CC1(C(=O)Nc2cc3c(/C=C/c4ccccc4F)n[nH]c3cc2F)CC1.CN(C)CC1(C(=O)Nc2cc3c(/C=C/c4cccs4)n[nH]c3cc2F)CC1.
What is the InChIKey of 1-[(dimethylamino)methyl]-N-[6-fluoro-3-[(E)-2-(2-fluorophenyl)ethenyl]-1H-indazol-5-yl]cyclopropane-1-carboxamide;1-[(dimethylamino)methyl]-N-[6-fluoro-3-[(E)-2-(3-fluorophenyl)ethenyl]-1H-indazol-5-yl]cyclopropane-1-carboxamide;1-[(dimethylamino)methyl]-N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]cyclopropane-1-carboxamide;1-[(dimethylamino)methyl]-N-[6-fluoro-3-[(E)-2-thiophen-2-ylethenyl]-1H-indazol-5-yl]cyclopropane-1-carboxamide?
The InChIKey is MDVWFYPMWGYBOU-YUUAZJCOSA-N. The full InChI is InChI=1S/3C22H22F2N4O.C20H21FN4OS/c1-28(2)13-22(9-10-22)21(29)25-20-11-16-18(26-27-19(16)12-17(20)24)8-5-14-3-6-15(23)7-4-14;1-28(2)13-22(8-9-22)21(29)25-20-11-16-18(26-27-19(16)12-17(20)24)7-6-14-4-3-5-15(23)10-14;1-28(2)13-22(9-10-22)21(29)25-20-11-15-18(26-27-19(15)12-17(20)24)8-7-14-5-3-4-6-16(14)23;1-25(2)12-20(7-8-20)19(26)22-18-10-14-16(6-5-13-4-3-9-27-13)23-24-17(14)11-15(18)21/h3-8,11-12H,9-10,13H2,1-2H3,(H,25,29)(H,26,27);3-7,10-12H,8-9,13H2,1-2H3,(H,25,29)(H,26,27);3-8,11-12H,9-10,13H2,1-2H3,(H,25,29)(H,26,27);3-6,9-11H,7-8,12H2,1-2H3,(H,22,26)(H,23,24)/b8-5+;7-6+;8-7+;6-5+.
What are the key properties of 1-[(dimethylamino)methyl]-N-[6-fluoro-3-[(E)-2-(2-fluorophenyl)ethenyl]-1H-indazol-5-yl]cyclopropane-1-carboxamide;1-[(dimethylamino)methyl]-N-[6-fluoro-3-[(E)-2-(3-fluorophenyl)ethenyl]-1H-indazol-5-yl]cyclopropane-1-carboxamide;1-[(dimethylamino)methyl]-N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]cyclopropane-1-carboxamide;1-[(dimethylamino)methyl]-N-[6-fluoro-3-[(E)-2-thiophen-2-ylethenyl]-1H-indazol-5-yl]cyclopropane-1-carboxamide?
1-[(dimethylamino)methyl]-N-[6-fluoro-3-[(E)-2-(2-fluorophenyl)ethenyl]-1H-indazol-5-yl]cyclopropane-1-carboxamide;1-[(dimethylamino)methyl]-N-[6-fluoro-3-[(E)-2-(3-fluorophenyl)ethenyl]-1H-indazol-5-yl]cyclopropane-1-carboxamide;1-[(dimethylamino)methyl]-N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]cyclopropane-1-carboxamide;1-[(dimethylamino)methyl]-N-[6-fluoro-3-[(E)-2-thiophen-2-ylethenyl]-1H-indazol-5-yl]cyclopropane-1-carboxamide has a molecular weight of 1573.80 g/mol, XLogP of 17.09, 24 rotatable bonds, 8 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(dimethylamino)methyl]-N-[6-fluoro-3-[(E)-2-(2-fluorophenyl)ethenyl]-1H-indazol-5-yl]cyclopropane-1-carboxamide;1-[(dimethylamino)methyl]-N-[6-fluoro-3-[(E)-2-(3-fluorophenyl)ethenyl]-1H-indazol-5-yl]cyclopropane-1-carboxamide;1-[(dimethylamino)methyl]-N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]cyclopropane-1-carboxamide;1-[(dimethylamino)methyl]-N-[6-fluoro-3-[(E)-2-thiophen-2-ylethenyl]-1H-indazol-5-yl]cyclopropane-1-carboxamide is sourced from PubChem (CID 159538118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).