1-acetyl-N-[6-fluoro-3-[(E)-2-(3-fluoro-4-methoxyphenyl)ethenyl]-1H-indazol-5-yl]piperidine-4-carboxamide;N-[6-fluoro-3-[(E)-2-(3-fluoro-4-methoxyphenyl)ethenyl]-1H-indazol-5-yl]furan-2-carboxamide;N-[6-fluoro-3-[(E)-2-(3-fluoro-4-methoxyphenyl)ethenyl]-1H-indazol-5-yl]-1-(methylamino)cyclopropane-1-carboxamide;N-[6-fluoro-3-[(E)-2-(3-fluoro-4-methoxyphenyl)ethenyl]-1H-indazol-5-yl]oxolane-3-carboxamide;N-[6-fluoro-3-[(E)-2-(3-fluoro-4-methoxyphenyl)ethenyl]-1H-indazol-5-yl]-2-thiophen-2-ylacetamide

C109H95F10N17O13S — CID 159891066

IUPAC1-acetyl-N-[6-fluoro-3-[(E)-2-(3-fluoro-4-methoxyphenyl)ethenyl]-1H-indazol-5-yl]piperidine-4-carboxamide;N-[6-fluoro-3-[(E)-2-(3-fluoro-4-methoxyphenyl)ethenyl]-1H-indazol-5-yl]furan-2-carboxamide;N-[6-fluoro-3-[(E)-2-(3-fluoro-4-methoxyphenyl)ethenyl]-1H-indazol-5-yl]-1-(methylamino)cyclopropane-1-carboxamide;N-[6-fluoro-3-[(E)-2-(3-fluoro-4-methoxyphenyl)ethenyl]-1H-indazol-5-yl]oxolane-3-carboxamide;N-[6-fluoro-3-[(E)-2-(3-fluoro-4-methoxyphenyl)ethenyl]-1H-indazol-5-yl]-2-thiophen-2-ylacetamide
SMILESCNC1(C(=O)Nc2cc3c(/C=C/c4ccc(OC)c(F)c4)n[nH]c3cc2F)CC1.COc1ccc(/C=C/c2n[nH]c3cc(F)c(NC(=O)C4CCN(C(C)=O)CC4)cc23)cc1F.COc1ccc(/C=C/c2n[nH]c3cc(F)c(NC(=O)C4CCOC4)cc23)cc1F.COc1ccc(/C=C/c2n[nH]c3cc(F)c(NC(=O)Cc4cccs4)cc23)cc1F.COc1ccc(/C=C/c2n[nH]c3cc(F)c(NC(=O)c4ccco4)cc23)cc1F
InChIInChI=1S/C24H24F2N4O3.C22H17F2N3O2S.C21H20F2N4O2.C21H19F2N3O3.C21H15F2N3O3/c1-14(31)30-9-7-16(8-10-30)24(32)27-22-12-17-20(28-29-21(17)13-18(22)25)5-3-15-4-6-23(33-2)19(26)11-15;1-29-21-7-5-13(9-17(21)24)4-6-18-15-11-20(16(23)12-19(15)27-26-18)25-22(28)10-14-3-2-8-30-14;1-24-21(7-8-21)20(28)25-18-10-13-16(26-27-17(13)11-14(18)22)5-3-12-4-6-19(29-2)15(23)9-12;1-28-20-5-3-12(8-16(20)23)2-4-17-14-9-19(15(22)10-18(14)26-25-17)24-21(27)13-6-7-29-11-13;1-28-19-7-5-12(9-15(19)23)4-6-16-13-10-18(14(22)11-17(13)26-25-16)24-21(27)20-3-2-8-29-20/h3-6,11-13,16H,7-10H2,1-2H3,(H,27,32)(H,28,29);2-9,11-12H,10H2,1H3,(H,25,28)(H,26,27);3-6,9-11,24H,7-8H2,1-2H3,(H,25,28)(H,26,27);2-5,8-10,13H,6-7,11H2,1H3,(H,24,27)(H,25,26);2-11H,1H3,(H,24,27)(H,25,26)/b5-3+;6-4+;5-3+;4-2+;6-4+
InChIKeyNUTIEKVKHKZDDR-AJMCGFETSA-N
MW2073.11 g/mol
LogP22.05
Rot. Bonds27

About 1-acetyl-N-[6-fluoro-3-[(E)-2-(3-fluoro-4-methoxyphenyl)ethenyl]-1H-indazol-5-yl]piperidine-4-carboxamide;N-[6-fluoro-3-[(E)-2-(3-fluoro-4-methoxyphenyl)ethenyl]-1H-indazol-5-yl]furan-2-carboxamide;N-[6-fluoro-3-[(E)-2-(3-fluoro-4-methoxyphenyl)ethenyl]-1H-indazol-5-yl]-1-(methylamino)cyclopropane-1-carboxamide;N-[6-fluoro-3-[(E)-2-(3-fluoro-4-methoxyphenyl)ethenyl]-1H-indazol-5-yl]oxolane-3-carboxamide;N-[6-fluoro-3-[(E)-2-(3-fluoro-4-methoxyphenyl)ethenyl]-1H-indazol-5-yl]-2-thiophen-2-ylacetamide

1-acetyl-N-[6-fluoro-3-[(E)-2-(3-fluoro-4-methoxyphenyl)ethenyl]-1H-indazol-5-yl]piperidine-4-carboxamide;N-[6-fluoro-3-[(E)-2-(3-fluoro-4-methoxyphenyl)ethenyl]-1H-indazol-5-yl]furan-2-carboxamide;N-[6-fluoro-3-[(E)-2-(3-fluoro-4-methoxyphenyl)ethenyl]-1H-indazol-5-yl]-1-(methylamino)cyclopropane-1-carboxamide;N-[6-fluoro-3-[(E)-2-(3-fluoro-4-methoxyphenyl)ethenyl]-1H-indazol-5-yl]oxolane-3-carboxamide;N-[6-fluoro-3-[(E)-2-(3-fluoro-4-methoxyphenyl)ethenyl]-1H-indazol-5-yl]-2-thiophen-2-ylacetamide (PubChem CID 159891066) has the molecular formula C109H95F10N17O13S and a molecular weight of 2073.11 g/mol. Its IUPAC name is 1-acetyl-N-[6-fluoro-3-[(E)-2-(3-fluoro-4-methoxyphenyl)ethenyl]-1H-indazol-5-yl]piperidine-4-carboxamide;N-[6-fluoro-3-[(E)-2-(3-fluoro-4-methoxyphenyl)ethenyl]-1H-indazol-5-yl]furan-2-carboxamide;N-[6-fluoro-3-[(E)-2-(3-fluoro-4-methoxyphenyl)ethenyl]-1H-indazol-5-yl]-1-(methylamino)cyclopropane-1-carboxamide;N-[6-fluoro-3-[(E)-2-(3-fluoro-4-methoxyphenyl)ethenyl]-1H-indazol-5-yl]oxolane-3-carboxamide;N-[6-fluoro-3-[(E)-2-(3-fluoro-4-methoxyphenyl)ethenyl]-1H-indazol-5-yl]-2-thiophen-2-ylacetamide.

Molecular Properties

Compound Name1-acetyl-N-[6-fluoro-3-[(E)-2-(3-fluoro-4-methoxyphenyl)ethenyl]-1H-indazol-5-yl]piperidine-4-carboxamide;N-[6-fluoro-3-[(E)-2-(3-fluoro-4-methoxyphenyl)ethenyl]-1H-indazol-5-yl]furan-2-carboxamide;N-[6-fluoro-3-[(E)-2-(3-fluoro-4-methoxyphenyl)ethenyl]-1H-indazol-5-yl]-1-(methylamino)cyclopropane-1-carboxamide;N-[6-fluoro-3-[(E)-2-(3-fluoro-4-methoxyphenyl)ethenyl]-1H-indazol-5-yl]oxolane-3-carboxamide;N-[6-fluoro-3-[(E)-2-(3-fluoro-4-methoxyphenyl)ethenyl]-1H-indazol-5-yl]-2-thiophen-2-ylacetamide
PubChem CID159891066
Molecular FormulaC109H95F10N17O13S
Molecular Weight2073.11 g/mol
Exact Mass2071.69
IUPAC Name1-acetyl-N-[6-fluoro-3-[(E)-2-(3-fluoro-4-methoxyphenyl)ethenyl]-1H-indazol-5-yl]piperidine-4-carboxamide;N-[6-fluoro-3-[(E)-2-(3-fluoro-4-methoxyphenyl)ethenyl]-1H-indazol-5-yl]furan-2-carboxamide;N-[6-fluoro-3-[(E)-2-(3-fluoro-4-methoxyphenyl)ethenyl]-1H-indazol-5-yl]-1-(methylamino)cyclopropane-1-carboxamide;N-[6-fluoro-3-[(E)-2-(3-fluoro-4-methoxyphenyl)ethenyl]-1H-indazol-5-yl]oxolane-3-carboxamide;N-[6-fluoro-3-[(E)-2-(3-fluoro-4-methoxyphenyl)ethenyl]-1H-indazol-5-yl]-2-thiophen-2-ylacetamide
SMILESCNC1(C(=O)Nc2cc3c(/C=C/c4ccc(OC)c(F)c4)n[nH]c3cc2F)CC1.COc1ccc(/C=C/c2n[nH]c3cc(F)c(NC(=O)C4CCN(C(C)=O)CC4)cc23)cc1F.COc1ccc(/C=C/c2n[nH]c3cc(F)c(NC(=O)C4CCOC4)cc23)cc1F.COc1ccc(/C=C/c2n[nH]c3cc(F)c(NC(=O)Cc4cccs4)cc23)cc1F.COc1ccc(/C=C/c2n[nH]c3cc(F)c(NC(=O)c4ccco4)cc23)cc1F
InChIInChI=1S/C24H24F2N4O3.C22H17F2N3O2S.C21H20F2N4O2.C21H19F2N3O3.C21H15F2N3O3/c1-14(31)30-9-7-16(8-10-30)24(32)27-22-12-17-20(28-29-21(17)13-18(22)25)5-3-15-4-6-23(33-2)19(26)11-15;1-29-21-7-5-13(9-17(21)24)4-6-18-15-11-20(16(23)12-19(15)27-26-18)25-22(28)10-14-3-2-8-30-14;1-24-21(7-8-21)20(28)25-18-10-13-16(26-27-17(13)11-14(18)22)5-3-12-4-6-19(29-2)15(23)9-12;1-28-20-5-3-12(8-16(20)23)2-4-17-14-9-19(15(22)10-18(14)26-25-17)24-21(27)13-6-7-29-11-13;1-28-19-7-5-12(9-15(19)23)4-6-16-13-10-18(14(22)11-17(13)26-25-16)24-21(27)20-3-2-8-29-20/h3-6,11-13,16H,7-10H2,1-2H3,(H,27,32)(H,28,29);2-9,11-12H,10H2,1H3,(H,25,28)(H,26,27);3-6,9-11,24H,7-8H2,1-2H3,(H,25,28)(H,26,27);2-5,8-10,13H,6-7,11H2,1H3,(H,24,27)(H,25,26);2-11H,1H3,(H,24,27)(H,25,26)/b5-3+;6-4+;5-3+;4-2+;6-4+
InChIKeyNUTIEKVKHKZDDR-AJMCGFETSA-N
XLogP22.05
TPSA389.76 Ų
H-Bond Donors11
H-Bond Acceptors20
Rotatable Bonds27
Heavy Atoms150
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002073.11
LogP ≤ 522.05
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1020

Analyze 1-acetyl-N-[6-fluoro-3-[(E)-2-(3-fluoro-4-methoxyphenyl)ethenyl]-1H-indazol-5-yl]piperidine-4-carboxamide;N-[6-fluoro-3-[(E)-2-(3-fluoro-4-methoxyphenyl)ethenyl]-1H-indazol-5-yl]furan-2-carboxamide;N-[6-fluoro-3-[(E)-2-(3-fluoro-4-methoxyphenyl)ethenyl]-1H-indazol-5-yl]-1-(methylamino)cyclopropane-1-carboxamide;N-[6-fluoro-3-[(E)-2-(3-fluoro-4-methoxyphenyl)ethenyl]-1H-indazol-5-yl]oxolane-3-carboxamide;N-[6-fluoro-3-[(E)-2-(3-fluoro-4-methoxyphenyl)ethenyl]-1H-indazol-5-yl]-2-thiophen-2-ylacetamide with MolForge

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Related Compounds

4-amino-N-(4-amino-3-ethanimidoylphenyl)-2-thiophen-3-ylbutanamide;4-amino-2-(2-fluorophenyl)-N-(3-methyl-2H-indazol-5-yl)butanamide;4-amino-2-(furan-2-yl)-N-(1H-indazol-5-yl)butanamide;(2R)-4-amino-N-(3-methyl-2H-indazol-5-yl)-2-phenylbutanamide;(2S)-4-amino-N-(3-methyl-2H-indazol-5-yl)-2-phenylbutanamide;4-(benzylamino)-2-(2-fluorophenyl)-N-(1H-indazol-5-yl)butanamide;4-(benzylamino)-4-(2-fluorophenyl)-N-(3-methyl-2H-indazol-5-yl)butanamide
CID 157472739
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;N-[6-fluoro-3-[(E)-2-(3-fluorophenyl)ethenyl]-1H-indazol-5-yl]furan-2-carboxamide;(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 157721259
5-(furan-2-carbonylamino)-N-phenyl-1H-indazole-3-carboxamide;5-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-3-N-phenyl-1H-indazole-3,5-dicarboxamide;5-(methanesulfonamido)-N-phenyl-1H-indazole-3-carboxamide;N-phenyl-5-[(2-thiophen-2-ylacetyl)amino]-1H-indazole-3-carboxamide
CID 157737869
N-(2-acetamidoethyl)-3-(1-benzofuran-2-yl)-4-fluoro-1H-indazole-5-carboxamide;N-[(2S)-1-amino-1-oxopropan-2-yl]-3-(1-benzofuran-2-yl)-4-fluoro-1H-indazole-5-carboxamide;3-(1-benzofuran-2-yl)-4-fluoro-N-(furan-2-ylmethyl)-1H-indazole-5-carboxamide;3-(1-benzofuran-2-yl)-4-fluoro-N-(1-hydroxy-3-methylbutan-2-yl)-1H-indazole-5-carboxamide;3-(1-benzofuran-2-yl)-4-fluoro-N-(2-thiophen-2-ylethyl)-1H-indazole-5-carboxamide
CID 157942684
N-(2-acetamidoethyl)-3-(1-benzofuran-2-yl)-4-fluoro-1H-indazole-5-carboxamide;N-[(2S)-1-amino-1-oxopropan-2-yl]-3-(1-benzofuran-2-yl)-4-fluoro-1H-indazole-5-carboxamide;3-(1-benzofuran-2-yl)-4-fluoro-N-(furan-2-ylmethyl)-1H-indazole-5-carboxamide;3-(1-benzofuran-2-yl)-4-fluoro-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-1H-indazole-5-carboxamide;3-(1-benzofuran-2-yl)-4-fluoro-N-(2-thiophen-2-ylethyl)-1H-indazole-5-carboxamide
CID 157942685
N-benzyl-3-[(E)-2-(3,4-difluorophenyl)ethenyl]-4-methoxy-2H-indazole-5-carboxamide;N-cyclopropyl-3-[(E)-2-(3,4-difluorophenyl)ethenyl]-4-methoxy-2H-indazole-5-carboxamide;N-(cyclopropylmethyl)-3-[(E)-2-(3,4-difluorophenyl)ethenyl]-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(3,4-difluorophenyl)ethenyl]-N-(furan-2-ylmethyl)-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(3,4-difluorophenyl)ethenyl]-4-methoxy-N-(thiophen-2-ylmethyl)-2H-indazole-5-carboxamide
CID 158047421
(2S)-2-amino-N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]-2-thiophen-2-ylacetamide;N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide;N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]-5-oxo-1-(thiophen-2-ylmethyl)pyrrolidine-3-carboxamide;N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]piperidine-3-carboxamide
CID 158159548
4-amino-2-(2-fluorophenyl)-N-(3-methyl-2H-indazol-5-yl)butanamide;4-amino-2-(furan-2-yl)-N-(1H-indazol-5-yl)butanamide;(2R)-4-amino-N-(3-methyl-2H-indazol-5-yl)-2-phenylbutanamide;(2S)-4-amino-N-(3-methyl-2H-indazol-5-yl)-2-phenylbutanamide;4-amino-N-(3-methyl-2H-indazol-5-yl)-2-thiophen-3-ylbutanamide;4-(benzylamino)-2-(2-fluorophenyl)-N-(1H-indazol-5-yl)butanamide;4-(benzylamino)-4-(2-fluorophenyl)-N-(3-methyl-2H-indazol-5-yl)butanamide
CID 158248282
N-[5-[(4-amino-2-phenylbutanoyl)amino]-1H-indazol-3-yl]furan-2-carboxamide;N-[[5-[(4-amino-2-phenylbutanoyl)amino]-2H-indazol-3-yl]methyl]benzamide;N-[5-[[(2S)-4-amino-2-phenylbutanoyl]amino]-1H-indazol-3-yl]thiophene-2-carboxamide;N-[5-[(4-amino-2-phenylbutanoyl)amino]-1H-indazol-3-yl]thiophene-2-carboxamide;5-[(4-amino-2-phenylbutanoyl)amino]-N-phenyl-1H-indazole-3-carboxamide
CID 158570025
N-[3-(3-fluorophenyl)-6-methoxy-1H-indazol-5-yl]furan-2-carboxamide;N-[3-(3-fluorophenyl)-6-methoxy-1H-indazol-5-yl]-3-methoxypropanamide;N-[3-(3-fluorophenyl)-6-methoxy-1H-indazol-5-yl]-2-thiophen-2-ylacetamide;N-[3-(3-fluorophenyl)-7-methyl-2H-indazol-5-yl]acetamide;N-[3-(3-fluorophenyl)-7-methyl-2H-indazol-5-yl]cyclopropanecarboxamide;(2R)-N-[3-(3-fluorophenyl)-7-methyl-2H-indazol-5-yl]-5-oxopyrrolidine-2-carboxamide
CID 158733967
N-[(2S)-1-amino-1-oxopropan-2-yl]-4-fluoro-3-[(E)-2-(3-fluorophenyl)ethenyl]-1H-indazole-5-carboxamide;N-cyclopropyl-4-fluoro-3-[(E)-2-(3-fluorophenyl)ethenyl]-1H-indazole-5-carboxamide;4-fluoro-3-[(E)-2-(3-fluorophenyl)ethenyl]-N-(furan-2-ylmethyl)-1H-indazole-5-carboxamide;4-fluoro-3-[(E)-2-(3-fluorophenyl)ethenyl]-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-1H-indazole-5-carboxamide;4-fluoro-3-[(E)-2-(3-fluorophenyl)ethenyl]-N-(thiophen-2-ylmethyl)-1H-indazole-5-carboxamide
CID 158845442
3-[3-(3-fluorophenyl)-6-methoxy-1H-indazol-5-yl]-1,1-dimethylurea;N-[3-(3-fluorophenyl)-6-methoxy-1H-indazol-5-yl]furan-2-carboxamide;N-[3-(3-fluorophenyl)-6-methoxy-1H-indazol-5-yl]-3-methoxypropanamide;(2R)-N-[3-(3-fluorophenyl)-6-methoxy-1H-indazol-5-yl]-5-oxopyrrolidine-2-carboxamide;N-[3-(3-fluorophenyl)-6-methoxy-1H-indazol-5-yl]-2-pyridin-3-ylacetamide;N-[3-(3-fluorophenyl)-6-methoxy-1H-indazol-5-yl]-2-thiophen-2-ylacetamide
CID 158891630

Frequently Asked Questions

What is the IUPAC name of 1-acetyl-N-[6-fluoro-3-[(E)-2-(3-fluoro-4-methoxyphenyl)ethenyl]-1H-indazol-5-yl]piperidine-4-carboxamide;N-[6-fluoro-3-[(E)-2-(3-fluoro-4-methoxyphenyl)ethenyl]-1H-indazol-5-yl]furan-2-carboxamide;N-[6-fluoro-3-[(E)-2-(3-fluoro-4-methoxyphenyl)ethenyl]-1H-indazol-5-yl]-1-(methylamino)cyclopropane-1-carboxamide;N-[6-fluoro-3-[(E)-2-(3-fluoro-4-methoxyphenyl)ethenyl]-1H-indazol-5-yl]oxolane-3-carboxamide;N-[6-fluoro-3-[(E)-2-(3-fluoro-4-methoxyphenyl)ethenyl]-1H-indazol-5-yl]-2-thiophen-2-ylacetamide?
The IUPAC name of 1-acetyl-N-[6-fluoro-3-[(E)-2-(3-fluoro-4-methoxyphenyl)ethenyl]-1H-indazol-5-yl]piperidine-4-carboxamide;N-[6-fluoro-3-[(E)-2-(3-fluoro-4-methoxyphenyl)ethenyl]-1H-indazol-5-yl]furan-2-carboxamide;N-[6-fluoro-3-[(E)-2-(3-fluoro-4-methoxyphenyl)ethenyl]-1H-indazol-5-yl]-1-(methylamino)cyclopropane-1-carboxamide;N-[6-fluoro-3-[(E)-2-(3-fluoro-4-methoxyphenyl)ethenyl]-1H-indazol-5-yl]oxolane-3-carboxamide;N-[6-fluoro-3-[(E)-2-(3-fluoro-4-methoxyphenyl)ethenyl]-1H-indazol-5-yl]-2-thiophen-2-ylacetamide (CID 159891066) is 1-acetyl-N-[6-fluoro-3-[(E)-2-(3-fluoro-4-methoxyphenyl)ethenyl]-1H-indazol-5-yl]piperidine-4-carboxamide;N-[6-fluoro-3-[(E)-2-(3-fluoro-4-methoxyphenyl)ethenyl]-1H-indazol-5-yl]furan-2-carboxamide;N-[6-fluoro-3-[(E)-2-(3-fluoro-4-methoxyphenyl)ethenyl]-1H-indazol-5-yl]-1-(methylamino)cyclopropane-1-carboxamide;N-[6-fluoro-3-[(E)-2-(3-fluoro-4-methoxyphenyl)ethenyl]-1H-indazol-5-yl]oxolane-3-carboxamide;N-[6-fluoro-3-[(E)-2-(3-fluoro-4-methoxyphenyl)ethenyl]-1H-indazol-5-yl]-2-thiophen-2-ylacetamide.
What is the SMILES notation for 1-acetyl-N-[6-fluoro-3-[(E)-2-(3-fluoro-4-methoxyphenyl)ethenyl]-1H-indazol-5-yl]piperidine-4-carboxamide;N-[6-fluoro-3-[(E)-2-(3-fluoro-4-methoxyphenyl)ethenyl]-1H-indazol-5-yl]furan-2-carboxamide;N-[6-fluoro-3-[(E)-2-(3-fluoro-4-methoxyphenyl)ethenyl]-1H-indazol-5-yl]-1-(methylamino)cyclopropane-1-carboxamide;N-[6-fluoro-3-[(E)-2-(3-fluoro-4-methoxyphenyl)ethenyl]-1H-indazol-5-yl]oxolane-3-carboxamide;N-[6-fluoro-3-[(E)-2-(3-fluoro-4-methoxyphenyl)ethenyl]-1H-indazol-5-yl]-2-thiophen-2-ylacetamide?
The canonical SMILES for 1-acetyl-N-[6-fluoro-3-[(E)-2-(3-fluoro-4-methoxyphenyl)ethenyl]-1H-indazol-5-yl]piperidine-4-carboxamide;N-[6-fluoro-3-[(E)-2-(3-fluoro-4-methoxyphenyl)ethenyl]-1H-indazol-5-yl]furan-2-carboxamide;N-[6-fluoro-3-[(E)-2-(3-fluoro-4-methoxyphenyl)ethenyl]-1H-indazol-5-yl]-1-(methylamino)cyclopropane-1-carboxamide;N-[6-fluoro-3-[(E)-2-(3-fluoro-4-methoxyphenyl)ethenyl]-1H-indazol-5-yl]oxolane-3-carboxamide;N-[6-fluoro-3-[(E)-2-(3-fluoro-4-methoxyphenyl)ethenyl]-1H-indazol-5-yl]-2-thiophen-2-ylacetamide is CNC1(C(=O)Nc2cc3c(/C=C/c4ccc(OC)c(F)c4)n[nH]c3cc2F)CC1.COc1ccc(/C=C/c2n[nH]c3cc(F)c(NC(=O)C4CCN(C(C)=O)CC4)cc23)cc1F.COc1ccc(/C=C/c2n[nH]c3cc(F)c(NC(=O)C4CCOC4)cc23)cc1F.COc1ccc(/C=C/c2n[nH]c3cc(F)c(NC(=O)Cc4cccs4)cc23)cc1F.COc1ccc(/C=C/c2n[nH]c3cc(F)c(NC(=O)c4ccco4)cc23)cc1F.
What is the InChIKey of 1-acetyl-N-[6-fluoro-3-[(E)-2-(3-fluoro-4-methoxyphenyl)ethenyl]-1H-indazol-5-yl]piperidine-4-carboxamide;N-[6-fluoro-3-[(E)-2-(3-fluoro-4-methoxyphenyl)ethenyl]-1H-indazol-5-yl]furan-2-carboxamide;N-[6-fluoro-3-[(E)-2-(3-fluoro-4-methoxyphenyl)ethenyl]-1H-indazol-5-yl]-1-(methylamino)cyclopropane-1-carboxamide;N-[6-fluoro-3-[(E)-2-(3-fluoro-4-methoxyphenyl)ethenyl]-1H-indazol-5-yl]oxolane-3-carboxamide;N-[6-fluoro-3-[(E)-2-(3-fluoro-4-methoxyphenyl)ethenyl]-1H-indazol-5-yl]-2-thiophen-2-ylacetamide?
The InChIKey is NUTIEKVKHKZDDR-AJMCGFETSA-N. The full InChI is InChI=1S/C24H24F2N4O3.C22H17F2N3O2S.C21H20F2N4O2.C21H19F2N3O3.C21H15F2N3O3/c1-14(31)30-9-7-16(8-10-30)24(32)27-22-12-17-20(28-29-21(17)13-18(22)25)5-3-15-4-6-23(33-2)19(26)11-15;1-29-21-7-5-13(9-17(21)24)4-6-18-15-11-20(16(23)12-19(15)27-26-18)25-22(28)10-14-3-2-8-30-14;1-24-21(7-8-21)20(28)25-18-10-13-16(26-27-17(13)11-14(18)22)5-3-12-4-6-19(29-2)15(23)9-12;1-28-20-5-3-12(8-16(20)23)2-4-17-14-9-19(15(22)10-18(14)26-25-17)24-21(27)13-6-7-29-11-13;1-28-19-7-5-12(9-15(19)23)4-6-16-13-10-18(14(22)11-17(13)26-25-16)24-21(27)20-3-2-8-29-20/h3-6,11-13,16H,7-10H2,1-2H3,(H,27,32)(H,28,29);2-9,11-12H,10H2,1H3,(H,25,28)(H,26,27);3-6,9-11,24H,7-8H2,1-2H3,(H,25,28)(H,26,27);2-5,8-10,13H,6-7,11H2,1H3,(H,24,27)(H,25,26);2-11H,1H3,(H,24,27)(H,25,26)/b5-3+;6-4+;5-3+;4-2+;6-4+.
What are the key properties of 1-acetyl-N-[6-fluoro-3-[(E)-2-(3-fluoro-4-methoxyphenyl)ethenyl]-1H-indazol-5-yl]piperidine-4-carboxamide;N-[6-fluoro-3-[(E)-2-(3-fluoro-4-methoxyphenyl)ethenyl]-1H-indazol-5-yl]furan-2-carboxamide;N-[6-fluoro-3-[(E)-2-(3-fluoro-4-methoxyphenyl)ethenyl]-1H-indazol-5-yl]-1-(methylamino)cyclopropane-1-carboxamide;N-[6-fluoro-3-[(E)-2-(3-fluoro-4-methoxyphenyl)ethenyl]-1H-indazol-5-yl]oxolane-3-carboxamide;N-[6-fluoro-3-[(E)-2-(3-fluoro-4-methoxyphenyl)ethenyl]-1H-indazol-5-yl]-2-thiophen-2-ylacetamide?
1-acetyl-N-[6-fluoro-3-[(E)-2-(3-fluoro-4-methoxyphenyl)ethenyl]-1H-indazol-5-yl]piperidine-4-carboxamide;N-[6-fluoro-3-[(E)-2-(3-fluoro-4-methoxyphenyl)ethenyl]-1H-indazol-5-yl]furan-2-carboxamide;N-[6-fluoro-3-[(E)-2-(3-fluoro-4-methoxyphenyl)ethenyl]-1H-indazol-5-yl]-1-(methylamino)cyclopropane-1-carboxamide;N-[6-fluoro-3-[(E)-2-(3-fluoro-4-methoxyphenyl)ethenyl]-1H-indazol-5-yl]oxolane-3-carboxamide;N-[6-fluoro-3-[(E)-2-(3-fluoro-4-methoxyphenyl)ethenyl]-1H-indazol-5-yl]-2-thiophen-2-ylacetamide has a molecular weight of 2073.11 g/mol, XLogP of 22.05, 27 rotatable bonds, 11 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyl-N-[6-fluoro-3-[(E)-2-(3-fluoro-4-methoxyphenyl)ethenyl]-1H-indazol-5-yl]piperidine-4-carboxamide;N-[6-fluoro-3-[(E)-2-(3-fluoro-4-methoxyphenyl)ethenyl]-1H-indazol-5-yl]furan-2-carboxamide;N-[6-fluoro-3-[(E)-2-(3-fluoro-4-methoxyphenyl)ethenyl]-1H-indazol-5-yl]-1-(methylamino)cyclopropane-1-carboxamide;N-[6-fluoro-3-[(E)-2-(3-fluoro-4-methoxyphenyl)ethenyl]-1H-indazol-5-yl]oxolane-3-carboxamide;N-[6-fluoro-3-[(E)-2-(3-fluoro-4-methoxyphenyl)ethenyl]-1H-indazol-5-yl]-2-thiophen-2-ylacetamide is sourced from PubChem (CID 159891066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).