5-[[2-(dimethylamino)acetyl]amino]-1-methyl-7-propan-2-ylindole-3-carboxylic acid;5-[3-(dimethylamino)propanoylamino]-1-methyl-7-propan-2-ylindole-3-carboxylic acid;1,5-dimethyl-7-propan-2-ylindole-2-carboxamide;1-methyl-5-[(4-methylpiperazin-1-yl)methyl]-7-propan-2-ylindole-2-carboxylic acid;1-methyl-5-(1-methylpyrazol-3-yl)-3-propan-2-ylindole;1-(2-piperidin-1-ylethyl)-3-propan-2-ylindole-5-carboxylic acid;7-propan-2-yl-1-(1-pyridin-2-ylethyl)indole-2-carboxylic acid;7-propan-2-yl-1-(pyridin-2-ylmethyl)indole-2-carboxamide

C140H177N21O14 — CID 160787515

IUPAC5-[[2-(dimethylamino)acetyl]amino]-1-methyl-7-propan-2-ylindole-3-carboxylic acid;5-[3-(dimethylamino)propanoylamino]-1-methyl-7-propan-2-ylindole-3-carboxylic acid;1,5-dimethyl-7-propan-2-ylindole-2-carboxamide;1-methyl-5-[(4-methylpiperazin-1-yl)methyl]-7-propan-2-ylindole-2-carboxylic acid;1-methyl-5-(1-methylpyrazol-3-yl)-3-propan-2-ylindole;1-(2-piperidin-1-ylethyl)-3-propan-2-ylindole-5-carboxylic acid;7-propan-2-yl-1-(1-pyridin-2-ylethyl)indole-2-carboxylic acid;7-propan-2-yl-1-(pyridin-2-ylmethyl)indole-2-carboxamide
SMILESCC(C)c1cc(CN2CCN(C)CC2)cc2cc(C(=O)O)n(C)c12.CC(C)c1cc(NC(=O)CCN(C)C)cc2c(C(=O)O)cn(C)c12.CC(C)c1cc(NC(=O)CN(C)C)cc2c(C(=O)O)cn(C)c12.CC(C)c1cccc2cc(C(=O)O)n(C(C)c3ccccn3)c12.CC(C)c1cccc2cc(C(N)=O)n(Cc3ccccn3)c12.CC(C)c1cn(C)c2ccc(-c3ccn(C)n3)cc12.CC(C)c1cn(CCN2CCCCC2)c2ccc(C(=O)O)cc12.Cc1cc(C(C)C)c2c(c1)cc(C(N)=O)n2C
InChIInChI=1S/C19H27N3O2.C19H20N2O2.C19H26N2O2.C18H25N3O3.C18H19N3O.C17H23N3O3.C16H19N3.C14H18N2O/c1-13(2)16-10-14(12-22-7-5-20(3)6-8-22)9-15-11-17(19(23)24)21(4)18(15)16;1-12(2)15-8-6-7-14-11-17(19(22)23)21(18(14)15)13(3)16-9-4-5-10-20-16;1-14(2)17-13-21(11-10-20-8-4-3-5-9-20)18-7-6-15(19(22)23)12-16(17)18;1-11(2)13-8-12(19-16(22)6-7-20(3)4)9-14-15(18(23)24)10-21(5)17(13)14;1-12(2)15-8-5-6-13-10-16(18(19)22)21(17(13)15)11-14-7-3-4-9-20-14;1-10(2)12-6-11(18-15(21)9-19(3)4)7-13-14(17(22)23)8-20(5)16(12)13;1-11(2)14-10-18(3)16-6-5-12(9-13(14)16)15-7-8-19(4)17-15;1-8(2)11-6-9(3)5-10-7-12(14(15)17)16(4)13(10)11/h9-11,13H,5-8,12H2,1-4H3,(H,23,24);4-13H,1-3H3,(H,22,23);6-7,12-14H,3-5,8-11H2,1-2H3,(H,22,23);8-11H,6-7H2,1-5H3,(H,19,22)(H,23,24);3-10,12H,11H2,1-2H3,(H2,19,22);6-8,10H,9H2,1-5H3,(H,18,21)(H,22,23);5-11H,1-4H3;5-8H,1-4H3,(H2,15,17)
InChIKeySBKCDCYOHLGHSK-UHFFFAOYSA-N
MW2378.09 g/mol
LogP26.27
Rot. Bonds32

About 5-[[2-(dimethylamino)acetyl]amino]-1-methyl-7-propan-2-ylindole-3-carboxylic acid;5-[3-(dimethylamino)propanoylamino]-1-methyl-7-propan-2-ylindole-3-carboxylic acid;1,5-dimethyl-7-propan-2-ylindole-2-carboxamide;1-methyl-5-[(4-methylpiperazin-1-yl)methyl]-7-propan-2-ylindole-2-carboxylic acid;1-methyl-5-(1-methylpyrazol-3-yl)-3-propan-2-ylindole;1-(2-piperidin-1-ylethyl)-3-propan-2-ylindole-5-carboxylic acid;7-propan-2-yl-1-(1-pyridin-2-ylethyl)indole-2-carboxylic acid;7-propan-2-yl-1-(pyridin-2-ylmethyl)indole-2-carboxamide

5-[[2-(dimethylamino)acetyl]amino]-1-methyl-7-propan-2-ylindole-3-carboxylic acid;5-[3-(dimethylamino)propanoylamino]-1-methyl-7-propan-2-ylindole-3-carboxylic acid;1,5-dimethyl-7-propan-2-ylindole-2-carboxamide;1-methyl-5-[(4-methylpiperazin-1-yl)methyl]-7-propan-2-ylindole-2-carboxylic acid;1-methyl-5-(1-methylpyrazol-3-yl)-3-propan-2-ylindole;1-(2-piperidin-1-ylethyl)-3-propan-2-ylindole-5-carboxylic acid;7-propan-2-yl-1-(1-pyridin-2-ylethyl)indole-2-carboxylic acid;7-propan-2-yl-1-(pyridin-2-ylmethyl)indole-2-carboxamide (PubChem CID 160787515) has the molecular formula C140H177N21O14 and a molecular weight of 2378.09 g/mol. Its IUPAC name is 5-[[2-(dimethylamino)acetyl]amino]-1-methyl-7-propan-2-ylindole-3-carboxylic acid;5-[3-(dimethylamino)propanoylamino]-1-methyl-7-propan-2-ylindole-3-carboxylic acid;1,5-dimethyl-7-propan-2-ylindole-2-carboxamide;1-methyl-5-[(4-methylpiperazin-1-yl)methyl]-7-propan-2-ylindole-2-carboxylic acid;1-methyl-5-(1-methylpyrazol-3-yl)-3-propan-2-ylindole;1-(2-piperidin-1-ylethyl)-3-propan-2-ylindole-5-carboxylic acid;7-propan-2-yl-1-(1-pyridin-2-ylethyl)indole-2-carboxylic acid;7-propan-2-yl-1-(pyridin-2-ylmethyl)indole-2-carboxamide.

Molecular Properties

Compound Name5-[[2-(dimethylamino)acetyl]amino]-1-methyl-7-propan-2-ylindole-3-carboxylic acid;5-[3-(dimethylamino)propanoylamino]-1-methyl-7-propan-2-ylindole-3-carboxylic acid;1,5-dimethyl-7-propan-2-ylindole-2-carboxamide;1-methyl-5-[(4-methylpiperazin-1-yl)methyl]-7-propan-2-ylindole-2-carboxylic acid;1-methyl-5-(1-methylpyrazol-3-yl)-3-propan-2-ylindole;1-(2-piperidin-1-ylethyl)-3-propan-2-ylindole-5-carboxylic acid;7-propan-2-yl-1-(1-pyridin-2-ylethyl)indole-2-carboxylic acid;7-propan-2-yl-1-(pyridin-2-ylmethyl)indole-2-carboxamide
PubChem CID160787515
Molecular FormulaC140H177N21O14
Molecular Weight2378.09 g/mol
Exact Mass2376.38
IUPAC Name5-[[2-(dimethylamino)acetyl]amino]-1-methyl-7-propan-2-ylindole-3-carboxylic acid;5-[3-(dimethylamino)propanoylamino]-1-methyl-7-propan-2-ylindole-3-carboxylic acid;1,5-dimethyl-7-propan-2-ylindole-2-carboxamide;1-methyl-5-[(4-methylpiperazin-1-yl)methyl]-7-propan-2-ylindole-2-carboxylic acid;1-methyl-5-(1-methylpyrazol-3-yl)-3-propan-2-ylindole;1-(2-piperidin-1-ylethyl)-3-propan-2-ylindole-5-carboxylic acid;7-propan-2-yl-1-(1-pyridin-2-ylethyl)indole-2-carboxylic acid;7-propan-2-yl-1-(pyridin-2-ylmethyl)indole-2-carboxamide
SMILESCC(C)c1cc(CN2CCN(C)CC2)cc2cc(C(=O)O)n(C)c12.CC(C)c1cc(NC(=O)CCN(C)C)cc2c(C(=O)O)cn(C)c12.CC(C)c1cc(NC(=O)CN(C)C)cc2c(C(=O)O)cn(C)c12.CC(C)c1cccc2cc(C(=O)O)n(C(C)c3ccccn3)c12.CC(C)c1cccc2cc(C(N)=O)n(Cc3ccccn3)c12.CC(C)c1cn(C)c2ccc(-c3ccn(C)n3)cc12.CC(C)c1cn(CCN2CCCCC2)c2ccc(C(=O)O)cc12.Cc1cc(C(C)C)c2c(c1)cc(C(N)=O)n2C
InChIInChI=1S/C19H27N3O2.C19H20N2O2.C19H26N2O2.C18H25N3O3.C18H19N3O.C17H23N3O3.C16H19N3.C14H18N2O/c1-13(2)16-10-14(12-22-7-5-20(3)6-8-22)9-15-11-17(19(23)24)21(4)18(15)16;1-12(2)15-8-6-7-14-11-17(19(22)23)21(18(14)15)13(3)16-9-4-5-10-20-16;1-14(2)17-13-21(11-10-20-8-4-3-5-9-20)18-7-6-15(19(22)23)12-16(17)18;1-11(2)13-8-12(19-16(22)6-7-20(3)4)9-14-15(18(23)24)10-21(5)17(13)14;1-12(2)15-8-5-6-13-10-16(18(19)22)21(17(13)15)11-14-7-3-4-9-20-14;1-10(2)12-6-11(18-15(21)9-19(3)4)7-13-14(17(22)23)8-20(5)16(12)13;1-11(2)14-10-18(3)16-6-5-12(9-13(14)16)15-7-8-19(4)17-15;1-8(2)11-6-9(3)5-10-7-12(14(15)17)16(4)13(10)11/h9-11,13H,5-8,12H2,1-4H3,(H,23,24);4-13H,1-3H3,(H,22,23);6-7,12-14H,3-5,8-11H2,1-2H3,(H,22,23);8-11H,6-7H2,1-5H3,(H,19,22)(H,23,24);3-10,12H,11H2,1-2H3,(H2,19,22);6-8,10H,9H2,1-5H3,(H,18,21)(H,22,23);5-11H,1-4H3;5-8H,1-4H3,(H2,15,17)
InChIKeySBKCDCYOHLGHSK-UHFFFAOYSA-N
XLogP26.27
TPSA430.12 Ų
H-Bond Donors9
H-Bond Acceptors26
Rotatable Bonds32
Heavy Atoms175
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002378.09
LogP ≤ 526.27
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1026

Analyze 5-[[2-(dimethylamino)acetyl]amino]-1-methyl-7-propan-2-ylindole-3-carboxylic acid;5-[3-(dimethylamino)propanoylamino]-1-methyl-7-propan-2-ylindole-3-carboxylic acid;1,5-dimethyl-7-propan-2-ylindole-2-carboxamide;1-methyl-5-[(4-methylpiperazin-1-yl)methyl]-7-propan-2-ylindole-2-carboxylic acid;1-methyl-5-(1-methylpyrazol-3-yl)-3-propan-2-ylindole;1-(2-piperidin-1-ylethyl)-3-propan-2-ylindole-5-carboxylic acid;7-propan-2-yl-1-(1-pyridin-2-ylethyl)indole-2-carboxylic acid;7-propan-2-yl-1-(pyridin-2-ylmethyl)indole-2-carboxamide with MolForge

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Related Compounds

Bis(3-[[1-(cyclopropylmethyl)-5-methylindazol-3-yl]methyl]pyridine-4-carboxylic acid);3-[(1-ethyl-5-methylindazol-3-yl)methyl]pyridine-4-carboxylic acid;3-[(5-methyl-1-propylindazol-3-yl)methyl]pyridine-4-carboxylic acid;bis(3-[[5-methyl-1-(3,3,3-trifluoropropyl)indazol-3-yl]methyl]pyridine-4-carboxylic acid)
CID 157568205
4-[[1-(4-aminobutyl)triazol-4-yl]methylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;4-anilino-6-[6-[4-[4-[[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]methyl]triazol-1-yl]butylcarbamoyl]-3-pyridinyl]-N-methyl-7-(trifluoromethyl)quinoline-3-carboxamide;5-[4-anilino-3-(methylcarbamoyl)-7-(trifluoromethyl)quinolin-6-yl]pyridine-2-carboxylic acid;deuterio(fluoro)methane
CID 157747263
N-(4-acetylphenyl)-2,5-dimethyl-1-(2-piperidin-1-ylethyl)pyrrole-3-carboxamide;1-(1-azabicyclo[2.2.2]octan-3-yl)-2,5-dimethyl-N-[4-methyl-3-(trifluoromethyl)phenyl]pyrrole-3-carboxamide;3-cyclohexyl-1-[2-(dimethylamino)-2-oxoethyl]-2-[1-[2-(dimethylamino)-2-oxoethyl]pyrrol-3-yl]indole-6-carboxylic acid;1-[2-(dimethylamino)ethyl]-N-(2-fluoro-4-methylphenyl)-2,5-dimethylpyrrole-3-carboxamide
CID 158162396
3-[(1-Cyclobutyl-5-fluoroindazol-3-yl)methyl]pyridine-4-carboxylic acid;3-[[1-(3,3-difluoro-2-hydroxybutyl)-5-fluoroindazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[(5-fluoro-1,7-dimethylindazol-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-fluoro-1-(oxolan-3-yl)indazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[(5-fluoro-1-propylindol-3-yl)methyl]pyridine-4-carboxylic acid
CID 159277426
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
3-[[5-(1,1-Difluoroethyl)-1-methylindazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[[1-[2-[2-(dimethylamino)ethoxy]ethyl]indazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[(1,5-dimethylindazol-3-yl)methyl]pyridine-4-carboxylic acid;3-[(4-fluoro-1-methylindazol-3-yl)methyl]pyridine-4-carboxylic acid;3-[[1-(2-methoxyethyl)indazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[(5-methyl-1-propylindazol-3-yl)methyl]pyridine-4-carboxylic acid;3-[(1-propylindazol-3-yl)methyl]pyridine-4-carboxylic acid
CID 161063392
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
3-[(1-Benzyl-5-methylindazol-3-yl)methyl]pyridine-4-carboxylic acid;3-[(1-butan-2-yl-5-methylindazol-3-yl)methyl]pyridine-4-carboxylic acid;3-[[1-[2-[2-(dimethylamino)ethoxy]ethyl]-5-fluoroindazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[[1-[5-(dimethylamino)pentyl]-5-fluoroindazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[[5-methyl-1-(2-methylpropyl)indazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[[5-methyl-1-(2,2,2-trifluoroethyl)indazol-3-yl]methyl]pyridine-4-carboxylic acid
CID 161539534
2-(Difluoromethyl)-5-[[(2-fluoro-2-methylpropanoyl)amino]methyl]pyridine-3-carboxylic acid;bis(1-[6-(difluoromethyl)-5-[2-[2-[3-(trifluoromethyl)phenyl]indazol-5-yl]acetyl]-3-pyridinyl]-4-fluoro-4-methylpentan-3-one);5-nitro-2-[3-(trifluoromethyl)phenyl]indazole;bis(2-[3-(trifluoromethyl)phenyl]indazol-5-amine);2-[3-(trifluoromethyl)phenyl]indazole
CID 161593811
N-cyano-3-[[1-[2-(4,4-difluoropiperidin-1-yl)ethyl]-5-methylindazol-3-yl]methyl]pyridine-4-carboxamide;N-cyano-3-[[5-fluoro-1-[2-(3-fluoro-3-methylpyrrolidin-1-yl)ethyl]indazol-3-yl]methyl]pyridine-4-carboxamide;3-[[1-[2-(4,4-difluoropiperidin-1-yl)ethyl]-5-methylindazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[[5-fluoro-1-[2-(3-fluoro-3-methylpyrrolidin-1-yl)ethyl]indazol-3-yl]methyl]pyridine-4-carboxylic acid
CID 161624921
4-[2-[2-[1-[2-[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperidin-4-yl]ethyl]piperidin-4-yl]-5-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]indazol-6-yl]-2-hydroxypropyl]-N-[2-[1-[[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperidin-4-yl]methyl]piperidin-4-yl]-6-(2-hydroxypropan-2-yl)indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
CID 167048230
N-[2-[4-[4-[(3R)-1-[4-[(3R)-2,6-dioxopiperidin-3-yl]-3,5-difluorophenyl]pyrrolidine-3-carbonyl]piperazin-1-yl]cyclohexyl]-6-(2-hydroxypropan-2-yl)indazol-5-yl]-3-isocyanopyrrolo[1,2-b]pyridazine-7-carboxamide
CID 176796685

Frequently Asked Questions

What is the IUPAC name of 5-[[2-(dimethylamino)acetyl]amino]-1-methyl-7-propan-2-ylindole-3-carboxylic acid;5-[3-(dimethylamino)propanoylamino]-1-methyl-7-propan-2-ylindole-3-carboxylic acid;1,5-dimethyl-7-propan-2-ylindole-2-carboxamide;1-methyl-5-[(4-methylpiperazin-1-yl)methyl]-7-propan-2-ylindole-2-carboxylic acid;1-methyl-5-(1-methylpyrazol-3-yl)-3-propan-2-ylindole;1-(2-piperidin-1-ylethyl)-3-propan-2-ylindole-5-carboxylic acid;7-propan-2-yl-1-(1-pyridin-2-ylethyl)indole-2-carboxylic acid;7-propan-2-yl-1-(pyridin-2-ylmethyl)indole-2-carboxamide?
The IUPAC name of 5-[[2-(dimethylamino)acetyl]amino]-1-methyl-7-propan-2-ylindole-3-carboxylic acid;5-[3-(dimethylamino)propanoylamino]-1-methyl-7-propan-2-ylindole-3-carboxylic acid;1,5-dimethyl-7-propan-2-ylindole-2-carboxamide;1-methyl-5-[(4-methylpiperazin-1-yl)methyl]-7-propan-2-ylindole-2-carboxylic acid;1-methyl-5-(1-methylpyrazol-3-yl)-3-propan-2-ylindole;1-(2-piperidin-1-ylethyl)-3-propan-2-ylindole-5-carboxylic acid;7-propan-2-yl-1-(1-pyridin-2-ylethyl)indole-2-carboxylic acid;7-propan-2-yl-1-(pyridin-2-ylmethyl)indole-2-carboxamide (CID 160787515) is 5-[[2-(dimethylamino)acetyl]amino]-1-methyl-7-propan-2-ylindole-3-carboxylic acid;5-[3-(dimethylamino)propanoylamino]-1-methyl-7-propan-2-ylindole-3-carboxylic acid;1,5-dimethyl-7-propan-2-ylindole-2-carboxamide;1-methyl-5-[(4-methylpiperazin-1-yl)methyl]-7-propan-2-ylindole-2-carboxylic acid;1-methyl-5-(1-methylpyrazol-3-yl)-3-propan-2-ylindole;1-(2-piperidin-1-ylethyl)-3-propan-2-ylindole-5-carboxylic acid;7-propan-2-yl-1-(1-pyridin-2-ylethyl)indole-2-carboxylic acid;7-propan-2-yl-1-(pyridin-2-ylmethyl)indole-2-carboxamide.
What is the SMILES notation for 5-[[2-(dimethylamino)acetyl]amino]-1-methyl-7-propan-2-ylindole-3-carboxylic acid;5-[3-(dimethylamino)propanoylamino]-1-methyl-7-propan-2-ylindole-3-carboxylic acid;1,5-dimethyl-7-propan-2-ylindole-2-carboxamide;1-methyl-5-[(4-methylpiperazin-1-yl)methyl]-7-propan-2-ylindole-2-carboxylic acid;1-methyl-5-(1-methylpyrazol-3-yl)-3-propan-2-ylindole;1-(2-piperidin-1-ylethyl)-3-propan-2-ylindole-5-carboxylic acid;7-propan-2-yl-1-(1-pyridin-2-ylethyl)indole-2-carboxylic acid;7-propan-2-yl-1-(pyridin-2-ylmethyl)indole-2-carboxamide?
The canonical SMILES for 5-[[2-(dimethylamino)acetyl]amino]-1-methyl-7-propan-2-ylindole-3-carboxylic acid;5-[3-(dimethylamino)propanoylamino]-1-methyl-7-propan-2-ylindole-3-carboxylic acid;1,5-dimethyl-7-propan-2-ylindole-2-carboxamide;1-methyl-5-[(4-methylpiperazin-1-yl)methyl]-7-propan-2-ylindole-2-carboxylic acid;1-methyl-5-(1-methylpyrazol-3-yl)-3-propan-2-ylindole;1-(2-piperidin-1-ylethyl)-3-propan-2-ylindole-5-carboxylic acid;7-propan-2-yl-1-(1-pyridin-2-ylethyl)indole-2-carboxylic acid;7-propan-2-yl-1-(pyridin-2-ylmethyl)indole-2-carboxamide is CC(C)c1cc(CN2CCN(C)CC2)cc2cc(C(=O)O)n(C)c12.CC(C)c1cc(NC(=O)CCN(C)C)cc2c(C(=O)O)cn(C)c12.CC(C)c1cc(NC(=O)CN(C)C)cc2c(C(=O)O)cn(C)c12.CC(C)c1cccc2cc(C(=O)O)n(C(C)c3ccccn3)c12.CC(C)c1cccc2cc(C(N)=O)n(Cc3ccccn3)c12.CC(C)c1cn(C)c2ccc(-c3ccn(C)n3)cc12.CC(C)c1cn(CCN2CCCCC2)c2ccc(C(=O)O)cc12.Cc1cc(C(C)C)c2c(c1)cc(C(N)=O)n2C.
What is the InChIKey of 5-[[2-(dimethylamino)acetyl]amino]-1-methyl-7-propan-2-ylindole-3-carboxylic acid;5-[3-(dimethylamino)propanoylamino]-1-methyl-7-propan-2-ylindole-3-carboxylic acid;1,5-dimethyl-7-propan-2-ylindole-2-carboxamide;1-methyl-5-[(4-methylpiperazin-1-yl)methyl]-7-propan-2-ylindole-2-carboxylic acid;1-methyl-5-(1-methylpyrazol-3-yl)-3-propan-2-ylindole;1-(2-piperidin-1-ylethyl)-3-propan-2-ylindole-5-carboxylic acid;7-propan-2-yl-1-(1-pyridin-2-ylethyl)indole-2-carboxylic acid;7-propan-2-yl-1-(pyridin-2-ylmethyl)indole-2-carboxamide?
The InChIKey is SBKCDCYOHLGHSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O2.C19H20N2O2.C19H26N2O2.C18H25N3O3.C18H19N3O.C17H23N3O3.C16H19N3.C14H18N2O/c1-13(2)16-10-14(12-22-7-5-20(3)6-8-22)9-15-11-17(19(23)24)21(4)18(15)16;1-12(2)15-8-6-7-14-11-17(19(22)23)21(18(14)15)13(3)16-9-4-5-10-20-16;1-14(2)17-13-21(11-10-20-8-4-3-5-9-20)18-7-6-15(19(22)23)12-16(17)18;1-11(2)13-8-12(19-16(22)6-7-20(3)4)9-14-15(18(23)24)10-21(5)17(13)14;1-12(2)15-8-5-6-13-10-16(18(19)22)21(17(13)15)11-14-7-3-4-9-20-14;1-10(2)12-6-11(18-15(21)9-19(3)4)7-13-14(17(22)23)8-20(5)16(12)13;1-11(2)14-10-18(3)16-6-5-12(9-13(14)16)15-7-8-19(4)17-15;1-8(2)11-6-9(3)5-10-7-12(14(15)17)16(4)13(10)11/h9-11,13H,5-8,12H2,1-4H3,(H,23,24);4-13H,1-3H3,(H,22,23);6-7,12-14H,3-5,8-11H2,1-2H3,(H,22,23);8-11H,6-7H2,1-5H3,(H,19,22)(H,23,24);3-10,12H,11H2,1-2H3,(H2,19,22);6-8,10H,9H2,1-5H3,(H,18,21)(H,22,23);5-11H,1-4H3;5-8H,1-4H3,(H2,15,17).
What are the key properties of 5-[[2-(dimethylamino)acetyl]amino]-1-methyl-7-propan-2-ylindole-3-carboxylic acid;5-[3-(dimethylamino)propanoylamino]-1-methyl-7-propan-2-ylindole-3-carboxylic acid;1,5-dimethyl-7-propan-2-ylindole-2-carboxamide;1-methyl-5-[(4-methylpiperazin-1-yl)methyl]-7-propan-2-ylindole-2-carboxylic acid;1-methyl-5-(1-methylpyrazol-3-yl)-3-propan-2-ylindole;1-(2-piperidin-1-ylethyl)-3-propan-2-ylindole-5-carboxylic acid;7-propan-2-yl-1-(1-pyridin-2-ylethyl)indole-2-carboxylic acid;7-propan-2-yl-1-(pyridin-2-ylmethyl)indole-2-carboxamide?
5-[[2-(dimethylamino)acetyl]amino]-1-methyl-7-propan-2-ylindole-3-carboxylic acid;5-[3-(dimethylamino)propanoylamino]-1-methyl-7-propan-2-ylindole-3-carboxylic acid;1,5-dimethyl-7-propan-2-ylindole-2-carboxamide;1-methyl-5-[(4-methylpiperazin-1-yl)methyl]-7-propan-2-ylindole-2-carboxylic acid;1-methyl-5-(1-methylpyrazol-3-yl)-3-propan-2-ylindole;1-(2-piperidin-1-ylethyl)-3-propan-2-ylindole-5-carboxylic acid;7-propan-2-yl-1-(1-pyridin-2-ylethyl)indole-2-carboxylic acid;7-propan-2-yl-1-(pyridin-2-ylmethyl)indole-2-carboxamide has a molecular weight of 2378.09 g/mol, XLogP of 26.27, 32 rotatable bonds, 9 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-(dimethylamino)acetyl]amino]-1-methyl-7-propan-2-ylindole-3-carboxylic acid;5-[3-(dimethylamino)propanoylamino]-1-methyl-7-propan-2-ylindole-3-carboxylic acid;1,5-dimethyl-7-propan-2-ylindole-2-carboxamide;1-methyl-5-[(4-methylpiperazin-1-yl)methyl]-7-propan-2-ylindole-2-carboxylic acid;1-methyl-5-(1-methylpyrazol-3-yl)-3-propan-2-ylindole;1-(2-piperidin-1-ylethyl)-3-propan-2-ylindole-5-carboxylic acid;7-propan-2-yl-1-(1-pyridin-2-ylethyl)indole-2-carboxylic acid;7-propan-2-yl-1-(pyridin-2-ylmethyl)indole-2-carboxamide is sourced from PubChem (CID 160787515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).