1-[(dimethylamino)methyl]cyclopropane-1-carboxylic acid;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;ethyl 1-[[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]cyclopropane-1-carboxylate;1-[[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]cyclopropane-1-carboxylic acid

C117H142F7N19O14S — CID 158501953

IUPAC1-[(dimethylamino)methyl]cyclopropane-1-carboxylic acid;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;ethyl 1-[[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]cyclopropane-1-carboxylate;1-[[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]cyclopropane-1-carboxylic acid
SMILESCCOC(=O)C1(CN(C)C(=O)OC(C)(C)C)CC1.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.CN(C)CC1(C(=O)O)CC1.CN(CC1(C(=O)O)CC1)C(=O)OC(C)(C)C
InChIInChI=1S/3C22H22F2N4O.C20H21FN4OS.C13H23NO4.C11H19NO4.C7H13NO2/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;1-6-17-10(15)13(7-8-13)9-14(5)11(16)18-12(2,3)4;1-10(2,3)16-9(15)12(4)7-11(5-6-11)8(13)14;1-8(2)5-7(3-4-7)6(9)10/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);6-9H2,1-5H3;5-7H2,1-4H3,(H,13,14);3-5H2,1-2H3,(H,9,10)/b8-5+;7-6+;8-7+;6-5+;;;
InChIKeyHJZQCECPCDKALZ-PCDDBTAWSA-N
MW2203.59 g/mol
LogP21.42
Rot. Bonds34

About 1-[(dimethylamino)methyl]cyclopropane-1-carboxylic acid;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;ethyl 1-[[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]cyclopropane-1-carboxylate;1-[[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]cyclopropane-1-carboxylic acid

1-[(dimethylamino)methyl]cyclopropane-1-carboxylic acid;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;ethyl 1-[[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]cyclopropane-1-carboxylate;1-[[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]cyclopropane-1-carboxylic acid (PubChem CID 158501953) has the molecular formula C117H142F7N19O14S and a molecular weight of 2203.59 g/mol. Its IUPAC name is 1-[(dimethylamino)methyl]cyclopropane-1-carboxylic acid;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;ethyl 1-[[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]cyclopropane-1-carboxylate;1-[[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name1-[(dimethylamino)methyl]cyclopropane-1-carboxylic acid;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;ethyl 1-[[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]cyclopropane-1-carboxylate;1-[[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]cyclopropane-1-carboxylic acid
PubChem CID158501953
Molecular FormulaC117H142F7N19O14S
Molecular Weight2203.59 g/mol
Exact Mass2202.06
IUPAC Name1-[(dimethylamino)methyl]cyclopropane-1-carboxylic acid;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;ethyl 1-[[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]cyclopropane-1-carboxylate;1-[[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]cyclopropane-1-carboxylic acid
SMILESCCOC(=O)C1(CN(C)C(=O)OC(C)(C)C)CC1.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.CN(C)CC1(C(=O)O)CC1.CN(CC1(C(=O)O)CC1)C(=O)OC(C)(C)C
InChIInChI=1S/3C22H22F2N4O.C20H21FN4OS.C13H23NO4.C11H19NO4.C7H13NO2/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;1-6-17-10(15)13(7-8-13)9-14(5)11(16)18-12(2,3)4;1-10(2,3)16-9(15)12(4)7-11(5-6-11)8(13)14;1-8(2)5-7(3-4-7)6(9)10/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);6-9H2,1-5H3;5-7H2,1-4H3,(H,13,14);3-5H2,1-2H3,(H,9,10)/b8-5+;7-6+;8-7+;6-5+;;;
InChIKeyHJZQCECPCDKALZ-PCDDBTAWSA-N
XLogP21.42
TPSA407.30 Ų
H-Bond Donors10
H-Bond Acceptors22
Rotatable Bonds34
Heavy Atoms158
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002203.59
LogP ≤ 521.42
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1022

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}

Analyze 1-[(dimethylamino)methyl]cyclopropane-1-carboxylic acid;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;ethyl 1-[[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]cyclopropane-1-carboxylate;1-[[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]cyclopropane-1-carboxylic acid with MolForge

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Related Compounds

N-[3-[(E)-2-(3,4-difluorophenyl)ethenyl]-6-fluoro-1H-indazol-5-yl]cyclopropanecarboxamide;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;N-[6-fluoro-3-[(E)-2-(2-fluorophenyl)ethenyl]-1H-indazol-5-yl]-1-(methylaminomethyl)cyclopropane-1-carboxamide;N-[6-fluoro-3-[(E)-2-thiophen-2-ylethenyl]-1H-indazol-5-yl]-1-(methylaminomethyl)cyclopropane-1-carboxamide
CID 157225718
N-[6-fluoro-3-[(E)-2-(2-fluorophenyl)ethenyl]-1H-indazol-5-yl]-1-(methylaminomethyl)cyclopropane-1-carboxamide;N-[6-fluoro-3-[(E)-2-(3-fluorophenyl)ethenyl]-1H-indazol-5-yl]-1-(methylaminomethyl)cyclopropane-1-carboxamide;N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]-1-(methylaminomethyl)cyclopropane-1-carboxamide;N-[6-fluoro-3-[(E)-2-thiophen-2-ylethenyl]-1H-indazol-5-yl]-1-(methylaminomethyl)cyclopropane-1-carboxamide
CID 157435845
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-thiophen-2-ylethenyl]-1H-indazol-5-yl]cyclopropane-1-carboxamide;N-[6-fluoro-3-[(E)-2-(3-fluorophenyl)ethenyl]-1H-indazol-5-yl]-1-(methylaminomethyl)cyclopropane-1-carboxamide;N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]-1-(methylaminomethyl)cyclopropane-1-carboxamide
CID 157946288
2-cyclopropyl-N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]acetamide;N-[6-fluoro-3-[(E)-2-(3-fluorophenyl)ethenyl]-1H-indazol-5-yl]-1-hydroxycyclopropane-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 158379888
N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]acetamide;N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]cyclopropanecarboxamide;N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]-3-hydroxy-2,2-dimethylpropanamide;N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]-3-hydroxy-2-phenylpropanamide;N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]-2-thiophen-2-ylacetamide
CID 158777055
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
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
tert-butyl N-[6-fluoro-3-[(E)-2-(3-fluorophenyl)ethenyl]-1-methylindazol-5-yl]carbamate;6-fluoro-3-[(E)-2-(3-fluorophenyl)ethenyl]-1H-indazol-5-amine;N-[6-fluoro-3-[(E)-2-(3-fluorophenyl)ethenyl]-1H-indazol-5-yl]cyclopropanecarboxamide;(2S)-N-[6-fluoro-3-[(E)-2-(3-fluorophenyl)ethenyl]-1H-indazol-5-yl]-5-oxopyrrolidine-2-carboxamide;N-[6-fluoro-3-[(E)-2-(3-fluorophenyl)ethenyl]-1H-indazol-5-yl]-2-thiophen-2-ylacetamide
CID 160031534
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]-1-(methylamino)cyclopropane-1-carboxamide;N-[3-[(E)-2-(3,4-difluorophenyl)ethenyl]-6-fluoro-1H-indazol-5-yl]oxolane-3-carboxamide;N-[3-[(E)-2-(3,4-difluorophenyl)ethenyl]-6-fluoro-1H-indazol-5-yl]-2-thiophen-2-ylacetamide
CID 160222869
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]-1-hydroxycyclopropane-1-carboxamide;N-[3-[(E)-2-(3,4-difluorophenyl)ethenyl]-6-fluoro-1H-indazol-5-yl]-1-(methylamino)cyclopropane-1-carboxamide;N-[3-[(E)-2-(3,4-difluorophenyl)ethenyl]-6-fluoro-1H-indazol-5-yl]oxolane-3-carboxamide;N-[3-[(E)-2-(3,4-difluorophenyl)ethenyl]-6-fluoro-1H-indazol-5-yl]-2-thiophen-2-ylacetamide
CID 160351977
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
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

Frequently Asked Questions

What is the IUPAC name of 1-[(dimethylamino)methyl]cyclopropane-1-carboxylic acid;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;ethyl 1-[[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]cyclopropane-1-carboxylate;1-[[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]cyclopropane-1-carboxylic acid?
The IUPAC name of 1-[(dimethylamino)methyl]cyclopropane-1-carboxylic acid;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;ethyl 1-[[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]cyclopropane-1-carboxylate;1-[[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]cyclopropane-1-carboxylic acid (CID 158501953) is 1-[(dimethylamino)methyl]cyclopropane-1-carboxylic acid;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;ethyl 1-[[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]cyclopropane-1-carboxylate;1-[[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]cyclopropane-1-carboxylic acid.
What is the SMILES notation for 1-[(dimethylamino)methyl]cyclopropane-1-carboxylic acid;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;ethyl 1-[[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]cyclopropane-1-carboxylate;1-[[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]cyclopropane-1-carboxylic acid?
The canonical SMILES for 1-[(dimethylamino)methyl]cyclopropane-1-carboxylic acid;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;ethyl 1-[[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]cyclopropane-1-carboxylate;1-[[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]cyclopropane-1-carboxylic acid is CCOC(=O)C1(CN(C)C(=O)OC(C)(C)C)CC1.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.CN(C)CC1(C(=O)O)CC1.CN(CC1(C(=O)O)CC1)C(=O)OC(C)(C)C.
What is the InChIKey of 1-[(dimethylamino)methyl]cyclopropane-1-carboxylic acid;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;ethyl 1-[[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]cyclopropane-1-carboxylate;1-[[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]cyclopropane-1-carboxylic acid?
The InChIKey is HJZQCECPCDKALZ-PCDDBTAWSA-N. The full InChI is InChI=1S/3C22H22F2N4O.C20H21FN4OS.C13H23NO4.C11H19NO4.C7H13NO2/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;1-6-17-10(15)13(7-8-13)9-14(5)11(16)18-12(2,3)4;1-10(2,3)16-9(15)12(4)7-11(5-6-11)8(13)14;1-8(2)5-7(3-4-7)6(9)10/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);6-9H2,1-5H3;5-7H2,1-4H3,(H,13,14);3-5H2,1-2H3,(H,9,10)/b8-5+;7-6+;8-7+;6-5+;;;.
What are the key properties of 1-[(dimethylamino)methyl]cyclopropane-1-carboxylic acid;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;ethyl 1-[[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]cyclopropane-1-carboxylate;1-[[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]cyclopropane-1-carboxylic acid?
1-[(dimethylamino)methyl]cyclopropane-1-carboxylic acid;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;ethyl 1-[[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]cyclopropane-1-carboxylate;1-[[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]cyclopropane-1-carboxylic acid has a molecular weight of 2203.59 g/mol, XLogP of 21.42, 34 rotatable bonds, 10 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(dimethylamino)methyl]cyclopropane-1-carboxylic acid;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;ethyl 1-[[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]cyclopropane-1-carboxylate;1-[[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 158501953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).