N-[(2S)-1-amino-1-oxopropan-2-yl]-6-fluoro-3-[(E)-2-(3-fluorophenyl)ethenyl]-1H-indazole-5-carboxamide;tert-butyl N-[6-fluoro-3-[(E)-2-(3-fluorophenyl)ethenyl]-1-methylindazol-5-yl]carbamate;6-fluoro-3-[(E)-2-(3-fluorophenyl)ethenyl]-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-1H-indazole-5-carboxamide;6-fluoro-3-[(E)-2-(3-fluorophenyl)ethenyl]-1-methylindazole-5-carboxylic acid;6-fluoro-3-[(E)-2-(3-fluorophenyl)ethenyl]-N-(pyridin-3-ylmethyl)-1H-indazole-5-carboxamide

C100H86F10N16O9 — CID 159200477

IUPACN-[(2S)-1-amino-1-oxopropan-2-yl]-6-fluoro-3-[(E)-2-(3-fluorophenyl)ethenyl]-1H-indazole-5-carboxamide;tert-butyl N-[6-fluoro-3-[(E)-2-(3-fluorophenyl)ethenyl]-1-methylindazol-5-yl]carbamate;6-fluoro-3-[(E)-2-(3-fluorophenyl)ethenyl]-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-1H-indazole-5-carboxamide;6-fluoro-3-[(E)-2-(3-fluorophenyl)ethenyl]-1-methylindazole-5-carboxylic acid;6-fluoro-3-[(E)-2-(3-fluorophenyl)ethenyl]-N-(pyridin-3-ylmethyl)-1H-indazole-5-carboxamide
SMILESCC(C)[C@@H](CO)NC(=O)c1cc2c(/C=C/c3cccc(F)c3)n[nH]c2cc1F.C[C@H](NC(=O)c1cc2c(/C=C/c3cccc(F)c3)n[nH]c2cc1F)C(N)=O.Cn1nc(/C=C/c2cccc(F)c2)c2cc(C(=O)O)c(F)cc21.Cn1nc(/C=C/c2cccc(F)c2)c2cc(NC(=O)OC(C)(C)C)c(F)cc21.O=C(NCc1cccnc1)c1cc2c(/C=C/c3cccc(F)c3)n[nH]c2cc1F
InChIInChI=1S/C22H16F2N4O.2C21H21F2N3O2.C19H16F2N4O2.C17H12F2N2O2/c23-16-5-1-3-14(9-16)6-7-20-18-10-17(19(24)11-21(18)28-27-20)22(29)26-13-15-4-2-8-25-12-15;1-21(2,3)28-20(27)24-18-11-15-17(25-26(4)19(15)12-16(18)23)9-8-13-6-5-7-14(22)10-13;1-12(2)20(11-27)24-21(28)15-9-16-18(25-26-19(16)10-17(15)23)7-6-13-4-3-5-14(22)8-13;1-10(18(22)26)23-19(27)13-8-14-16(24-25-17(14)9-15(13)21)6-5-11-3-2-4-12(20)7-11;1-21-16-9-14(19)12(17(22)23)8-13(16)15(20-21)6-5-10-3-2-4-11(18)7-10/h1-12H,13H2,(H,26,29)(H,27,28);5-12H,1-4H3,(H,24,27);3-10,12,20,27H,11H2,1-2H3,(H,24,28)(H,25,26);2-10H,1H3,(H2,22,26)(H,23,27)(H,24,25);2-9H,1H3,(H,22,23)/b7-6+;9-8+;7-6+;2*6-5+/t;;20-;10-;/m..10./s1
InChIKeyKPFHRXOPUSCQIE-FUIDYCCWSA-N
MW1845.87 g/mol
LogP19.80
Rot. Bonds22

About N-[(2S)-1-amino-1-oxopropan-2-yl]-6-fluoro-3-[(E)-2-(3-fluorophenyl)ethenyl]-1H-indazole-5-carboxamide;tert-butyl N-[6-fluoro-3-[(E)-2-(3-fluorophenyl)ethenyl]-1-methylindazol-5-yl]carbamate;6-fluoro-3-[(E)-2-(3-fluorophenyl)ethenyl]-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-1H-indazole-5-carboxamide;6-fluoro-3-[(E)-2-(3-fluorophenyl)ethenyl]-1-methylindazole-5-carboxylic acid;6-fluoro-3-[(E)-2-(3-fluorophenyl)ethenyl]-N-(pyridin-3-ylmethyl)-1H-indazole-5-carboxamide

N-[(2S)-1-amino-1-oxopropan-2-yl]-6-fluoro-3-[(E)-2-(3-fluorophenyl)ethenyl]-1H-indazole-5-carboxamide;tert-butyl N-[6-fluoro-3-[(E)-2-(3-fluorophenyl)ethenyl]-1-methylindazol-5-yl]carbamate;6-fluoro-3-[(E)-2-(3-fluorophenyl)ethenyl]-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-1H-indazole-5-carboxamide;6-fluoro-3-[(E)-2-(3-fluorophenyl)ethenyl]-1-methylindazole-5-carboxylic acid;6-fluoro-3-[(E)-2-(3-fluorophenyl)ethenyl]-N-(pyridin-3-ylmethyl)-1H-indazole-5-carboxamide (PubChem CID 159200477) has the molecular formula C100H86F10N16O9 and a molecular weight of 1845.87 g/mol. Its IUPAC name is N-[(2S)-1-amino-1-oxopropan-2-yl]-6-fluoro-3-[(E)-2-(3-fluorophenyl)ethenyl]-1H-indazole-5-carboxamide;tert-butyl N-[6-fluoro-3-[(E)-2-(3-fluorophenyl)ethenyl]-1-methylindazol-5-yl]carbamate;6-fluoro-3-[(E)-2-(3-fluorophenyl)ethenyl]-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-1H-indazole-5-carboxamide;6-fluoro-3-[(E)-2-(3-fluorophenyl)ethenyl]-1-methylindazole-5-carboxylic acid;6-fluoro-3-[(E)-2-(3-fluorophenyl)ethenyl]-N-(pyridin-3-ylmethyl)-1H-indazole-5-carboxamide.

Molecular Properties

Compound NameN-[(2S)-1-amino-1-oxopropan-2-yl]-6-fluoro-3-[(E)-2-(3-fluorophenyl)ethenyl]-1H-indazole-5-carboxamide;tert-butyl N-[6-fluoro-3-[(E)-2-(3-fluorophenyl)ethenyl]-1-methylindazol-5-yl]carbamate;6-fluoro-3-[(E)-2-(3-fluorophenyl)ethenyl]-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-1H-indazole-5-carboxamide;6-fluoro-3-[(E)-2-(3-fluorophenyl)ethenyl]-1-methylindazole-5-carboxylic acid;6-fluoro-3-[(E)-2-(3-fluorophenyl)ethenyl]-N-(pyridin-3-ylmethyl)-1H-indazole-5-carboxamide
PubChem CID159200477
Molecular FormulaC100H86F10N16O9
Molecular Weight1845.87 g/mol
Exact Mass1844.66
IUPAC NameN-[(2S)-1-amino-1-oxopropan-2-yl]-6-fluoro-3-[(E)-2-(3-fluorophenyl)ethenyl]-1H-indazole-5-carboxamide;tert-butyl N-[6-fluoro-3-[(E)-2-(3-fluorophenyl)ethenyl]-1-methylindazol-5-yl]carbamate;6-fluoro-3-[(E)-2-(3-fluorophenyl)ethenyl]-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-1H-indazole-5-carboxamide;6-fluoro-3-[(E)-2-(3-fluorophenyl)ethenyl]-1-methylindazole-5-carboxylic acid;6-fluoro-3-[(E)-2-(3-fluorophenyl)ethenyl]-N-(pyridin-3-ylmethyl)-1H-indazole-5-carboxamide
SMILESCC(C)[C@@H](CO)NC(=O)c1cc2c(/C=C/c3cccc(F)c3)n[nH]c2cc1F.C[C@H](NC(=O)c1cc2c(/C=C/c3cccc(F)c3)n[nH]c2cc1F)C(N)=O.Cn1nc(/C=C/c2cccc(F)c2)c2cc(C(=O)O)c(F)cc21.Cn1nc(/C=C/c2cccc(F)c2)c2cc(NC(=O)OC(C)(C)C)c(F)cc21.O=C(NCc1cccnc1)c1cc2c(/C=C/c3cccc(F)c3)n[nH]c2cc1F
InChIInChI=1S/C22H16F2N4O.2C21H21F2N3O2.C19H16F2N4O2.C17H12F2N2O2/c23-16-5-1-3-14(9-16)6-7-20-18-10-17(19(24)11-21(18)28-27-20)22(29)26-13-15-4-2-8-25-12-15;1-21(2,3)28-20(27)24-18-11-15-17(25-26(4)19(15)12-16(18)23)9-8-13-6-5-7-14(22)10-13;1-12(2)20(11-27)24-21(28)15-9-16-18(25-26-19(16)10-17(15)23)7-6-13-4-3-5-14(22)8-13;1-10(18(22)26)23-19(27)13-8-14-16(24-25-17(14)9-15(13)21)6-5-11-3-2-4-12(20)7-11;1-21-16-9-14(19)12(17(22)23)8-13(16)15(20-21)6-5-10-3-2-4-11(18)7-10/h1-12H,13H2,(H,26,29)(H,27,28);5-12H,1-4H3,(H,24,27);3-10,12,20,27H,11H2,1-2H3,(H,24,28)(H,25,26);2-10H,1H3,(H2,22,26)(H,23,27)(H,24,25);2-9H,1H3,(H,22,23)/b7-6+;9-8+;7-6+;2*6-5+/t;;20-;10-;/m..10./s1
InChIKeyKPFHRXOPUSCQIE-FUIDYCCWSA-N
XLogP19.80
TPSA360.82 Ų
H-Bond Donors10
H-Bond Acceptors16
Rotatable Bonds22
Heavy Atoms135
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001845.87
LogP ≤ 519.80
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1016

Analyze N-[(2S)-1-amino-1-oxopropan-2-yl]-6-fluoro-3-[(E)-2-(3-fluorophenyl)ethenyl]-1H-indazole-5-carboxamide;tert-butyl N-[6-fluoro-3-[(E)-2-(3-fluorophenyl)ethenyl]-1-methylindazol-5-yl]carbamate;6-fluoro-3-[(E)-2-(3-fluorophenyl)ethenyl]-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-1H-indazole-5-carboxamide;6-fluoro-3-[(E)-2-(3-fluorophenyl)ethenyl]-1-methylindazole-5-carboxylic acid;6-fluoro-3-[(E)-2-(3-fluorophenyl)ethenyl]-N-(pyridin-3-ylmethyl)-1H-indazole-5-carboxamide with MolForge

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Related Compounds

1-[[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]methyl]-2,3-dihydroindole-5-carboxamide;1-[[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]methyl]indole-5-carboxamide;1-[[4-(5-methyl-1H-pyrazol-3-yl)phenyl]methyl]-3,4-dihydro-2H-quinoline-6-carboxamide;1-[[4-(5-oxopyrrolidin-2-yl)phenyl]methyl]-3,4-dihydro-2H-quinoline-6-carboxamide;1-[(4-propan-2-ylphenyl)methyl]indole-5-carboxamide
CID 157651286
(4R)-4-[3-[3-(1-aminoethenyl)-4-fluorophenyl]-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[4-hydroxy-3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[c]pyrazol-1-yl]pentan-2-one;tert-butyl 3-[3-[(4R)-5-(3,5-difluorophenyl)-4-[3-[3-(methylcarbamoyl)phenyl]-2-pyridinyl]-2-oxopentyl]-1H-indol-5-yl]propanoate;tert-butyl N-[[3-[(4R)-5-(3,5-difluorophenyl)-4-[3-(4-methylphenyl)-2-pyridinyl]-2-oxopentyl]-1H-indol-6-yl]methyl]carbamate;3-[2-[(2R)-1-(3,5-difluorophenyl)-4-oxo-5-[6-(trifluoromethyl)-1H-indol-3-yl]pentan-2-yl]-3-pyridinyl]-N-methylbenzamide
CID 157826196
4-[(5-acetamidoindol-1-yl)methyl]benzamide;N-[1-[[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]methyl]indol-5-yl]acetamide;N-[1-[[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]methyl]indol-5-yl]-2-methoxyacetamide;N-[1-[[4-(5-methyl-1H-pyrazol-3-yl)phenyl]methyl]indol-5-yl]acetamide;N-[1-[[4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]methyl]indol-5-yl]acetamide;N-[1-[[4-(1,1,1-trifluoropropan-2-yl)phenyl]methyl]indol-5-yl]acetamide
CID 158629485
2-(difluoromethyl)-5-[(2-methylpropanoylamino)methyl]pyridine-3-carboxylic acid;N-[[6-(difluoromethyl)-5-[2-[2-[4-(trifluoromethyl)phenyl]indazol-5-yl]acetyl]-3-pyridinyl]methyl]-2-methylpropanamide;2-nitrobenzaldehyde;N-[(2-nitrophenyl)methyl]-4-(trifluoromethyl)aniline;5-nitro-2-[4-(trifluoromethyl)phenyl]indazole;4-(trifluoromethyl)aniline;bis(2-[4-(trifluoromethyl)phenyl]indazol-5-amine);2-[4-(trifluoromethyl)phenyl]indazole
CID 159777869
4-[(5-acetamidoindol-1-yl)methyl]benzamide;N-[1-[[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]methyl]indol-5-yl]acetamide;N-[1-[[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]methyl]indol-5-yl]-2-methoxyacetamide;N-[1-[[4-(5-methyl-1H-pyrazol-3-yl)phenyl]methyl]indol-5-yl]acetamide;N-[1-[[4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]methyl]indol-5-yl]acetamide
CID 159927893
3-[[1-(4,4-difluorocyclohexyl)-5-methylindazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[[5-methyl-1-(oxan-3-yl)indazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[[5-methyl-1-(oxan-4-yl)indazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[[5-methyl-1-[(3R)-pyrrolidin-3-yl]indazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[[1-(oxolan-3-yl)-4,5,6,7-tetrahydroindazol-3-yl]methyl]pyridine-4-carboxylic acid
CID 160064903
5-(3-benzylpyrrolidin-3-yl)-N-tert-butyl-1H-indole-2-carboxamide;5-(3-benzylpyrrolidin-3-yl)-1H-indazole;1-[5-(3-benzylpyrrolidin-3-yl)-1H-indol-2-yl]-2,2,2-trifluoroethanone;5-(3-benzylpyrrolidin-3-yl)-N-methyl-1H-indole-2-carboxamide;N-[4-(3-benzylpyrrolidin-3-yl)phenyl]acetamide;(1R)-2-[(3S)-3-(1H-indol-5-yl)pyrrolidin-3-yl]-1-phenylethanol;methyl 5-(3-benzylpyrrolidin-3-yl)-1H-indole-2-carboxylate
CID 160155175
(4R)-4-[3-[3-(1-aminoethenyl)-4-fluorophenyl]-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[4-hydroxy-3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[c]pyrazol-1-yl]pentan-2-one;tert-butyl 3-[3-[2-[[(1S)-2-(3,5-difluorophenyl)-1-[3-[3-(methylcarbamoyl)phenyl]-2-pyridinyl]ethyl]amino]-2-oxoethyl]-1H-indol-5-yl]propanoate;tert-butyl N-[[3-[2-[[(1S)-2-(3,5-difluorophenyl)-1-[3-(4-methylphenyl)-2-pyridinyl]ethyl]amino]-2-oxoethyl]-1H-indol-6-yl]methyl]carbamate;5-[2-[(1S)-1-[[2-(5,7-difluoro-1H-indol-3-yl)acetyl]amino]-2-(3,5-difluorophenyl)ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;3-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-[6-(trifluoromethyl)-3H-indol-1-ium-3-yl]acetyl]amino]ethyl]-3-pyridinyl]-N-methylbenzamide
CID 161066889
3-[[5-fluoro-1-[2-(4-methylmorpholin-2-yl)ethyl]indazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[[5-fluoro-1-(2-morpholin-4-ylethyl)indazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[(5-methyl-1-propylindol-3-yl)methyl]pyridine-4-carboxylic acid;3-[[5-methyl-1-[(3S)-pyrrolidin-3-yl]indazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[[5-methyl-1-(3,3,3-trifluoropropyl)indol-3-yl]methyl]pyridine-4-carboxylic acid
CID 161116090
1-(2,3-dihydroxypropyl)-6-methyl-3-[2,2,2-trifluoro-1-[1-(4-fluorophenyl)indazol-5-yl]-1-hydroxyethyl]pyrrolo[2,3-c]pyridin-7-one;6-methyl-1-prop-2-enyl-3-[2,2,2-trifluoro-1-[1-(4-fluorophenyl)indazol-5-yl]-1-hydroxyethyl]pyrrolo[2,3-c]pyridin-7-one;6-methyl-3-[2,2,2-trifluoro-1-[1-(4-fluorophenyl)indazol-5-yl]-1-hydroxyethyl]-1H-pyrrolo[2,3-c]pyridin-7-one
CID 161246233
3-carbamoyl-1-[2-[(2S,4R)-2-[[3-(3-chloro-2-pyridinyl)-2-fluorophenyl]carbamoyl]-4-fluoropyrrolidin-1-yl]-2-oxoethyl]indazole-5-carboxylic acid;1-[2-[(2S,4R)-2-[[3-(3-chloro-2-pyridinyl)-2-fluorophenyl]carbamoyl]-4-fluoropyrrolidin-1-yl]-2-oxoethyl]-5-[(3,3-difluoropiperidine-1-carbonyl)amino]indazole-3-carboxamide;1-[2-[(2S,4R)-2-[[3-(3-chloro-2-pyridinyl)-2-fluorophenyl]carbamoyl]-4-fluoropyrrolidin-1-yl]-2-oxoethyl]-5-isocyanatoindazole-3-carboxamide;3,3-difluoropiperidine;2-methyloxolane
CID 162006619
4-[1-(4-fluorophenyl)-2-[1-(hydroxymethyl)cyclobutyl]-5H-pyrrolo[3,4-f]indol-3-yl]benzoic acid;4-[5-(4-fluorophenyl)-6-(1-hydroxy-2-methylpropan-2-yl)-1H-pyrrolo[2,3-f]indazol-7-yl]benzoic acid;5-[4-[1-(4-fluorophenyl)-2-(oxan-4-yl)-5H-pyrrolo[3,4-f]indol-3-yl]phenyl]imidazolidine-2,4-dione
CID 157140594

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-amino-1-oxopropan-2-yl]-6-fluoro-3-[(E)-2-(3-fluorophenyl)ethenyl]-1H-indazole-5-carboxamide;tert-butyl N-[6-fluoro-3-[(E)-2-(3-fluorophenyl)ethenyl]-1-methylindazol-5-yl]carbamate;6-fluoro-3-[(E)-2-(3-fluorophenyl)ethenyl]-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-1H-indazole-5-carboxamide;6-fluoro-3-[(E)-2-(3-fluorophenyl)ethenyl]-1-methylindazole-5-carboxylic acid;6-fluoro-3-[(E)-2-(3-fluorophenyl)ethenyl]-N-(pyridin-3-ylmethyl)-1H-indazole-5-carboxamide?
The IUPAC name of N-[(2S)-1-amino-1-oxopropan-2-yl]-6-fluoro-3-[(E)-2-(3-fluorophenyl)ethenyl]-1H-indazole-5-carboxamide;tert-butyl N-[6-fluoro-3-[(E)-2-(3-fluorophenyl)ethenyl]-1-methylindazol-5-yl]carbamate;6-fluoro-3-[(E)-2-(3-fluorophenyl)ethenyl]-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-1H-indazole-5-carboxamide;6-fluoro-3-[(E)-2-(3-fluorophenyl)ethenyl]-1-methylindazole-5-carboxylic acid;6-fluoro-3-[(E)-2-(3-fluorophenyl)ethenyl]-N-(pyridin-3-ylmethyl)-1H-indazole-5-carboxamide (CID 159200477) is N-[(2S)-1-amino-1-oxopropan-2-yl]-6-fluoro-3-[(E)-2-(3-fluorophenyl)ethenyl]-1H-indazole-5-carboxamide;tert-butyl N-[6-fluoro-3-[(E)-2-(3-fluorophenyl)ethenyl]-1-methylindazol-5-yl]carbamate;6-fluoro-3-[(E)-2-(3-fluorophenyl)ethenyl]-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-1H-indazole-5-carboxamide;6-fluoro-3-[(E)-2-(3-fluorophenyl)ethenyl]-1-methylindazole-5-carboxylic acid;6-fluoro-3-[(E)-2-(3-fluorophenyl)ethenyl]-N-(pyridin-3-ylmethyl)-1H-indazole-5-carboxamide.
What is the SMILES notation for N-[(2S)-1-amino-1-oxopropan-2-yl]-6-fluoro-3-[(E)-2-(3-fluorophenyl)ethenyl]-1H-indazole-5-carboxamide;tert-butyl N-[6-fluoro-3-[(E)-2-(3-fluorophenyl)ethenyl]-1-methylindazol-5-yl]carbamate;6-fluoro-3-[(E)-2-(3-fluorophenyl)ethenyl]-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-1H-indazole-5-carboxamide;6-fluoro-3-[(E)-2-(3-fluorophenyl)ethenyl]-1-methylindazole-5-carboxylic acid;6-fluoro-3-[(E)-2-(3-fluorophenyl)ethenyl]-N-(pyridin-3-ylmethyl)-1H-indazole-5-carboxamide?
The canonical SMILES for N-[(2S)-1-amino-1-oxopropan-2-yl]-6-fluoro-3-[(E)-2-(3-fluorophenyl)ethenyl]-1H-indazole-5-carboxamide;tert-butyl N-[6-fluoro-3-[(E)-2-(3-fluorophenyl)ethenyl]-1-methylindazol-5-yl]carbamate;6-fluoro-3-[(E)-2-(3-fluorophenyl)ethenyl]-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-1H-indazole-5-carboxamide;6-fluoro-3-[(E)-2-(3-fluorophenyl)ethenyl]-1-methylindazole-5-carboxylic acid;6-fluoro-3-[(E)-2-(3-fluorophenyl)ethenyl]-N-(pyridin-3-ylmethyl)-1H-indazole-5-carboxamide is CC(C)[C@@H](CO)NC(=O)c1cc2c(/C=C/c3cccc(F)c3)n[nH]c2cc1F.C[C@H](NC(=O)c1cc2c(/C=C/c3cccc(F)c3)n[nH]c2cc1F)C(N)=O.Cn1nc(/C=C/c2cccc(F)c2)c2cc(C(=O)O)c(F)cc21.Cn1nc(/C=C/c2cccc(F)c2)c2cc(NC(=O)OC(C)(C)C)c(F)cc21.O=C(NCc1cccnc1)c1cc2c(/C=C/c3cccc(F)c3)n[nH]c2cc1F.
What is the InChIKey of N-[(2S)-1-amino-1-oxopropan-2-yl]-6-fluoro-3-[(E)-2-(3-fluorophenyl)ethenyl]-1H-indazole-5-carboxamide;tert-butyl N-[6-fluoro-3-[(E)-2-(3-fluorophenyl)ethenyl]-1-methylindazol-5-yl]carbamate;6-fluoro-3-[(E)-2-(3-fluorophenyl)ethenyl]-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-1H-indazole-5-carboxamide;6-fluoro-3-[(E)-2-(3-fluorophenyl)ethenyl]-1-methylindazole-5-carboxylic acid;6-fluoro-3-[(E)-2-(3-fluorophenyl)ethenyl]-N-(pyridin-3-ylmethyl)-1H-indazole-5-carboxamide?
The InChIKey is KPFHRXOPUSCQIE-FUIDYCCWSA-N. The full InChI is InChI=1S/C22H16F2N4O.2C21H21F2N3O2.C19H16F2N4O2.C17H12F2N2O2/c23-16-5-1-3-14(9-16)6-7-20-18-10-17(19(24)11-21(18)28-27-20)22(29)26-13-15-4-2-8-25-12-15;1-21(2,3)28-20(27)24-18-11-15-17(25-26(4)19(15)12-16(18)23)9-8-13-6-5-7-14(22)10-13;1-12(2)20(11-27)24-21(28)15-9-16-18(25-26-19(16)10-17(15)23)7-6-13-4-3-5-14(22)8-13;1-10(18(22)26)23-19(27)13-8-14-16(24-25-17(14)9-15(13)21)6-5-11-3-2-4-12(20)7-11;1-21-16-9-14(19)12(17(22)23)8-13(16)15(20-21)6-5-10-3-2-4-11(18)7-10/h1-12H,13H2,(H,26,29)(H,27,28);5-12H,1-4H3,(H,24,27);3-10,12,20,27H,11H2,1-2H3,(H,24,28)(H,25,26);2-10H,1H3,(H2,22,26)(H,23,27)(H,24,25);2-9H,1H3,(H,22,23)/b7-6+;9-8+;7-6+;2*6-5+/t;;20-;10-;/m..10./s1.
What are the key properties of N-[(2S)-1-amino-1-oxopropan-2-yl]-6-fluoro-3-[(E)-2-(3-fluorophenyl)ethenyl]-1H-indazole-5-carboxamide;tert-butyl N-[6-fluoro-3-[(E)-2-(3-fluorophenyl)ethenyl]-1-methylindazol-5-yl]carbamate;6-fluoro-3-[(E)-2-(3-fluorophenyl)ethenyl]-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-1H-indazole-5-carboxamide;6-fluoro-3-[(E)-2-(3-fluorophenyl)ethenyl]-1-methylindazole-5-carboxylic acid;6-fluoro-3-[(E)-2-(3-fluorophenyl)ethenyl]-N-(pyridin-3-ylmethyl)-1H-indazole-5-carboxamide?
N-[(2S)-1-amino-1-oxopropan-2-yl]-6-fluoro-3-[(E)-2-(3-fluorophenyl)ethenyl]-1H-indazole-5-carboxamide;tert-butyl N-[6-fluoro-3-[(E)-2-(3-fluorophenyl)ethenyl]-1-methylindazol-5-yl]carbamate;6-fluoro-3-[(E)-2-(3-fluorophenyl)ethenyl]-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-1H-indazole-5-carboxamide;6-fluoro-3-[(E)-2-(3-fluorophenyl)ethenyl]-1-methylindazole-5-carboxylic acid;6-fluoro-3-[(E)-2-(3-fluorophenyl)ethenyl]-N-(pyridin-3-ylmethyl)-1H-indazole-5-carboxamide has a molecular weight of 1845.87 g/mol, XLogP of 19.80, 22 rotatable bonds, 10 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-amino-1-oxopropan-2-yl]-6-fluoro-3-[(E)-2-(3-fluorophenyl)ethenyl]-1H-indazole-5-carboxamide;tert-butyl N-[6-fluoro-3-[(E)-2-(3-fluorophenyl)ethenyl]-1-methylindazol-5-yl]carbamate;6-fluoro-3-[(E)-2-(3-fluorophenyl)ethenyl]-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-1H-indazole-5-carboxamide;6-fluoro-3-[(E)-2-(3-fluorophenyl)ethenyl]-1-methylindazole-5-carboxylic acid;6-fluoro-3-[(E)-2-(3-fluorophenyl)ethenyl]-N-(pyridin-3-ylmethyl)-1H-indazole-5-carboxamide is sourced from PubChem (CID 159200477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).