1-[2-[4-(dimethylamino)piperidin-1-yl]-4-pyridinyl]-2-[6-(3-methylimidazol-4-yl)isoquinolin-3-yl]ethanone;1-[2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-4-pyridinyl]-2-[6-(3-methylimidazol-4-yl)isoquinolin-3-yl]ethanone;bis(2-[6-(3-methylimidazol-4-yl)isoquinolin-3-yl]-1-(2-piperidin-1-yl-4-pyridinyl)ethanone);2-[6-(3-methylimidazol-4-yl)isoquinolin-3-yl]-1-[2-(4-propan-2-ylpiperazin-1-yl)-4-pyridinyl]ethanone;2-[6-(3-methylimidazol-4-yl)isoquinolin-3-yl]-1-[2-(4-propylpiperazin-1-yl)-4-pyridinyl]ethanone

C157H165N33O6 — CID 159139391

IUPAC1-[2-[4-(dimethylamino)piperidin-1-yl]-4-pyridinyl]-2-[6-(3-methylimidazol-4-yl)isoquinolin-3-yl]ethanone;1-[2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-4-pyridinyl]-2-[6-(3-methylimidazol-4-yl)isoquinolin-3-yl]ethanone;bis(2-[6-(3-methylimidazol-4-yl)isoquinolin-3-yl]-1-(2-piperidin-1-yl-4-pyridinyl)ethanone);2-[6-(3-methylimidazol-4-yl)isoquinolin-3-yl]-1-[2-(4-propan-2-ylpiperazin-1-yl)-4-pyridinyl]ethanone;2-[6-(3-methylimidazol-4-yl)isoquinolin-3-yl]-1-[2-(4-propylpiperazin-1-yl)-4-pyridinyl]ethanone
SMILESCC(C)N1CCN(c2cc(C(=O)Cc3cc4cc(-c5cncn5C)ccc4cn3)ccn2)CC1.CCCN1CCN(c2cc(C(=O)Cc3cc4cc(-c5cncn5C)ccc4cn3)ccn2)CC1.CN(C)C1CCN(c2cc(C(=O)Cc3cc4cc(-c5cncn5C)ccc4cn3)ccn2)CC1.CN1CC=C(c2cc(C(=O)Cc3cc4cc(-c5cncn5C)ccc4cn3)ccn2)CC1.Cn1cncc1-c1ccc2cnc(CC(=O)c3ccnc(N4CCCCC4)c3)cc2c1.Cn1cncc1-c1ccc2cnc(CC(=O)c3ccnc(N4CCCCC4)c3)cc2c1
InChIInChI=1S/3C27H30N6O.C26H25N5O.2C25H25N5O/c1-31(2)24-7-10-33(11-8-24)27-14-20(6-9-29-27)26(34)15-23-13-22-12-19(4-5-21(22)16-30-23)25-17-28-18-32(25)3;1-19(2)32-8-10-33(11-9-32)27-14-21(6-7-29-27)26(34)15-24-13-23-12-20(4-5-22(23)16-30-24)25-17-28-18-31(25)3;1-3-8-32-9-11-33(12-10-32)27-15-21(6-7-29-27)26(34)16-24-14-23-13-20(4-5-22(23)17-30-24)25-18-28-19-31(25)2;1-30-9-6-18(7-10-30)24-13-20(5-8-28-24)26(32)14-23-12-22-11-19(3-4-21(22)15-29-23)25-16-27-17-31(25)2;2*1-29-17-26-16-23(29)18-5-6-20-15-28-22(12-21(20)11-18)14-24(31)19-7-8-27-25(13-19)30-9-3-2-4-10-30/h4-6,9,12-14,16-18,24H,7-8,10-11,15H2,1-3H3;4-7,12-14,16-19H,8-11,15H2,1-3H3;4-7,13-15,17-19H,3,8-12,16H2,1-2H3;3-6,8,11-13,15-17H,7,9-10,14H2,1-2H3;2*5-8,11-13,15-17H,2-4,9-10,14H2,1H3
InChIKeyKHXFVRWLWXUQGT-UHFFFAOYSA-N
MW2610.27 g/mol
LogP25.03
Rot. Bonds34

About 1-[2-[4-(dimethylamino)piperidin-1-yl]-4-pyridinyl]-2-[6-(3-methylimidazol-4-yl)isoquinolin-3-yl]ethanone;1-[2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-4-pyridinyl]-2-[6-(3-methylimidazol-4-yl)isoquinolin-3-yl]ethanone;bis(2-[6-(3-methylimidazol-4-yl)isoquinolin-3-yl]-1-(2-piperidin-1-yl-4-pyridinyl)ethanone);2-[6-(3-methylimidazol-4-yl)isoquinolin-3-yl]-1-[2-(4-propan-2-ylpiperazin-1-yl)-4-pyridinyl]ethanone;2-[6-(3-methylimidazol-4-yl)isoquinolin-3-yl]-1-[2-(4-propylpiperazin-1-yl)-4-pyridinyl]ethanone

1-[2-[4-(dimethylamino)piperidin-1-yl]-4-pyridinyl]-2-[6-(3-methylimidazol-4-yl)isoquinolin-3-yl]ethanone;1-[2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-4-pyridinyl]-2-[6-(3-methylimidazol-4-yl)isoquinolin-3-yl]ethanone;bis(2-[6-(3-methylimidazol-4-yl)isoquinolin-3-yl]-1-(2-piperidin-1-yl-4-pyridinyl)ethanone);2-[6-(3-methylimidazol-4-yl)isoquinolin-3-yl]-1-[2-(4-propan-2-ylpiperazin-1-yl)-4-pyridinyl]ethanone;2-[6-(3-methylimidazol-4-yl)isoquinolin-3-yl]-1-[2-(4-propylpiperazin-1-yl)-4-pyridinyl]ethanone (PubChem CID 159139391) has the molecular formula C157H165N33O6 and a molecular weight of 2610.27 g/mol. Its IUPAC name is 1-[2-[4-(dimethylamino)piperidin-1-yl]-4-pyridinyl]-2-[6-(3-methylimidazol-4-yl)isoquinolin-3-yl]ethanone;1-[2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-4-pyridinyl]-2-[6-(3-methylimidazol-4-yl)isoquinolin-3-yl]ethanone;bis(2-[6-(3-methylimidazol-4-yl)isoquinolin-3-yl]-1-(2-piperidin-1-yl-4-pyridinyl)ethanone);2-[6-(3-methylimidazol-4-yl)isoquinolin-3-yl]-1-[2-(4-propan-2-ylpiperazin-1-yl)-4-pyridinyl]ethanone;2-[6-(3-methylimidazol-4-yl)isoquinolin-3-yl]-1-[2-(4-propylpiperazin-1-yl)-4-pyridinyl]ethanone.

Molecular Properties

Compound Name1-[2-[4-(dimethylamino)piperidin-1-yl]-4-pyridinyl]-2-[6-(3-methylimidazol-4-yl)isoquinolin-3-yl]ethanone;1-[2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-4-pyridinyl]-2-[6-(3-methylimidazol-4-yl)isoquinolin-3-yl]ethanone;bis(2-[6-(3-methylimidazol-4-yl)isoquinolin-3-yl]-1-(2-piperidin-1-yl-4-pyridinyl)ethanone);2-[6-(3-methylimidazol-4-yl)isoquinolin-3-yl]-1-[2-(4-propan-2-ylpiperazin-1-yl)-4-pyridinyl]ethanone;2-[6-(3-methylimidazol-4-yl)isoquinolin-3-yl]-1-[2-(4-propylpiperazin-1-yl)-4-pyridinyl]ethanone
PubChem CID159139391
Molecular FormulaC157H165N33O6
Molecular Weight2610.27 g/mol
Exact Mass2608.36
IUPAC Name1-[2-[4-(dimethylamino)piperidin-1-yl]-4-pyridinyl]-2-[6-(3-methylimidazol-4-yl)isoquinolin-3-yl]ethanone;1-[2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-4-pyridinyl]-2-[6-(3-methylimidazol-4-yl)isoquinolin-3-yl]ethanone;bis(2-[6-(3-methylimidazol-4-yl)isoquinolin-3-yl]-1-(2-piperidin-1-yl-4-pyridinyl)ethanone);2-[6-(3-methylimidazol-4-yl)isoquinolin-3-yl]-1-[2-(4-propan-2-ylpiperazin-1-yl)-4-pyridinyl]ethanone;2-[6-(3-methylimidazol-4-yl)isoquinolin-3-yl]-1-[2-(4-propylpiperazin-1-yl)-4-pyridinyl]ethanone
SMILESCC(C)N1CCN(c2cc(C(=O)Cc3cc4cc(-c5cncn5C)ccc4cn3)ccn2)CC1.CCCN1CCN(c2cc(C(=O)Cc3cc4cc(-c5cncn5C)ccc4cn3)ccn2)CC1.CN(C)C1CCN(c2cc(C(=O)Cc3cc4cc(-c5cncn5C)ccc4cn3)ccn2)CC1.CN1CC=C(c2cc(C(=O)Cc3cc4cc(-c5cncn5C)ccc4cn3)ccn2)CC1.Cn1cncc1-c1ccc2cnc(CC(=O)c3ccnc(N4CCCCC4)c3)cc2c1.Cn1cncc1-c1ccc2cnc(CC(=O)c3ccnc(N4CCCCC4)c3)cc2c1
InChIInChI=1S/3C27H30N6O.C26H25N5O.2C25H25N5O/c1-31(2)24-7-10-33(11-8-24)27-14-20(6-9-29-27)26(34)15-23-13-22-12-19(4-5-21(22)16-30-23)25-17-28-18-32(25)3;1-19(2)32-8-10-33(11-9-32)27-14-21(6-7-29-27)26(34)15-24-13-23-12-20(4-5-22(23)16-30-24)25-17-28-18-31(25)3;1-3-8-32-9-11-33(12-10-32)27-15-21(6-7-29-27)26(34)16-24-14-23-13-20(4-5-22(23)17-30-24)25-18-28-19-31(25)2;1-30-9-6-18(7-10-30)24-13-20(5-8-28-24)26(32)14-23-12-22-11-19(3-4-21(22)15-29-23)25-16-27-17-31(25)2;2*1-29-17-26-16-23(29)18-5-6-20-15-28-22(12-21(20)11-18)14-24(31)19-7-8-27-25(13-19)30-9-3-2-4-10-30/h4-6,9,12-14,16-18,24H,7-8,10-11,15H2,1-3H3;4-7,12-14,16-19H,8-11,15H2,1-3H3;4-7,13-15,17-19H,3,8-12,16H2,1-2H3;3-6,8,11-13,15-17H,7,9-10,14H2,1-2H3;2*5-8,11-13,15-17H,2-4,9-10,14H2,1H3
InChIKeyKHXFVRWLWXUQGT-UHFFFAOYSA-N
XLogP25.03
TPSA393.18 Ų
H-Bond Donors
H-Bond Acceptors39
Rotatable Bonds34
Heavy Atoms196
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002610.27
LogP ≤ 525.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1039

Analyze 1-[2-[4-(dimethylamino)piperidin-1-yl]-4-pyridinyl]-2-[6-(3-methylimidazol-4-yl)isoquinolin-3-yl]ethanone;1-[2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-4-pyridinyl]-2-[6-(3-methylimidazol-4-yl)isoquinolin-3-yl]ethanone;bis(2-[6-(3-methylimidazol-4-yl)isoquinolin-3-yl]-1-(2-piperidin-1-yl-4-pyridinyl)ethanone);2-[6-(3-methylimidazol-4-yl)isoquinolin-3-yl]-1-[2-(4-propan-2-ylpiperazin-1-yl)-4-pyridinyl]ethanone;2-[6-(3-methylimidazol-4-yl)isoquinolin-3-yl]-1-[2-(4-propylpiperazin-1-yl)-4-pyridinyl]ethanone with MolForge

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Launch Full Analysis

Related Compounds

1-[2-(4,4-Difluoropiperidin-1-yl)-4-pyridinyl]-2-[6-(3-methylimidazol-4-yl)isoquinolin-3-yl]ethanone
CID 148076117
2-[6-(2,3-Dimethylimidazol-4-yl)-7-fluoroisoquinolin-3-yl]-1-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]ethanone
CID 148568015
1-[2-[4-(2-Fluoroethyl)piperazin-1-yl]-4-pyridinyl]-2-[6-(3-methylimidazol-4-yl)isoquinolin-3-yl]ethanone
CID 148905755
4-methyl-N-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]-3-[(5-methyl-2-pyridin-3-ylpyrrolo[3,2-d]pyrimidin-4-yl)amino]benzamide;4-methyl-N-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-3-[(5-methyl-2-pyridin-3-ylpyrrolo[3,2-d]pyrimidin-4-yl)amino]benzamide;2-[4-methyl-3-[(5-methyl-2-pyridin-4-ylpyrrolo[3,2-d]pyrimidin-4-yl)amino]phenyl]-1-[3-(trifluoromethyl)phenyl]ethanone;4-methyl-3-[(5-methyl-2-pyridin-3-ylpyrrolo[3,2-d]pyrimidin-4-yl)amino]-N-[3-(trifluoromethyl)phenyl]benzamide;4-methyl-3-[(5-methyl-2-pyridin-4-ylpyrrolo[3,2-d]pyrimidin-4-yl)amino]-N-[3-(trifluoromethyl)phenyl]benzamide
CID 157053327
(3-Fluoro-2-iodophenyl)-[2-[[5-(trifluoromethyl)pyrimidin-2-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]methanone;(3-fluoro-2-pyrimidin-2-ylphenyl)-[2-[(5-methylpyrazin-2-yl)methyl]-7-azabicyclo[2.2.1]heptan-7-yl]methanone;(3-fluoro-2-pyrimidin-2-ylphenyl)-[2-[[5-(trifluoromethyl)-2-pyridinyl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]methanone
CID 157254341
(3-Fluoro-4-methyl-2-pyrimidin-2-ylphenyl)-[2-[[5-(trifluoromethyl)pyrazin-2-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]methanone;(3-fluoro-4-methyl-2-pyrimidin-2-ylphenyl)-[2-[[5-(trifluoromethyl)-2-pyridinyl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]methanone;(3-fluoro-5-methyl-2-pyrimidin-2-ylphenyl)-[2-[[5-(trifluoromethyl)-2-pyridinyl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]methanone
CID 157287011
5-benzyl-1-methyl-2-(3,3,3-trifluoropropyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine;5-benzyl-1-methyl-2-(3,3,3-trifluoropropyl)imidazo[4,5-c]pyridin-5-ium;4-N-methylpyridine-3,4-diamine;2-[4-[2-[1-methyl-2-(3,3,3-trifluoropropyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]-1-quinolin-5-ylethanone;1-methyl-2-(3,3,3-trifluoropropyl)imidazo[4,5-c]pyridine;1-methyl-2-(3,3,3-trifluoropropyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine;2-[4-(2-oxo-2-quinolin-5-ylethyl)cyclohexyl]acetaldehyde;5,5,5-trifluoro-1-[4-(methylamino)-3-pyridinyl]pentan-2-one;bromide
CID 157341880
Bis(3-[10-(3,3-difluoropiperidine-1-carbonyl)-6-fluoro-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-3-yl]-2-imidazo[1,2-a]pyridin-3-ylcyclopent-2-en-1-one);3-[6-fluoro-10-(piperidine-1-carbonyl)-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-3-yl]-2-imidazo[1,2-a]pyrazin-3-ylcyclopent-2-en-1-one;3-[6-fluoro-10-(piperidine-1-carbonyl)-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-3-yl]-2-(1-methylindol-3-yl)cyclopent-2-en-1-one
CID 157661932
2-[4-[(4-Methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-1-[4-methyl-3-(2-pyrimidin-5-ylethynyl)phenyl]ethanone;2-[4-[(3-methylpiperidin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-1-[4-methyl-3-(2-pyrimidin-5-ylethynyl)phenyl]ethanone;1-[4-methyl-3-(2-pyrimidin-5-ylethynyl)phenyl]-2-[3-[4-(pyrrolidin-1-ylmethyl)imidazol-1-yl]-5-(trifluoromethyl)phenyl]ethanone;1-[4-methyl-3-(2-pyrimidin-5-ylethynyl)phenyl]-2-[3-(pyrrol-1-ylmethyl)-5-(trifluoromethyl)phenyl]ethanone
CID 157957577
2-[2-[6-(7-azabicyclo[2.2.1]heptan-7-yl)-4-methyl-3-pyridinyl]acetyl]-8-methyl-4H-naphthalen-1-one;2-[2-[6-(7-azabicyclo[2.2.1]heptan-7-yl)-2-(trifluoromethyl)-3-pyridinyl]acetyl]-8-(1,1-difluoroethyl)-4H-naphthalen-1-one;2-[2-[6-(7-azabicyclo[2.2.1]heptan-7-yl)-2-(trifluoromethyl)-3-pyridinyl]acetyl]-8-methyl-4H-naphthalen-1-one
CID 158071760
(3-Fluoro-2-pyridin-2-ylphenyl)-[2-[[5-(trifluoromethyl)-2-pyridinyl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]methanone;(3-fluoro-2-pyridin-2-ylphenyl)-[2-[[5-(trifluoromethyl)pyrimidin-2-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]methanone;(3-methyl-2-pyridin-2-ylphenyl)-[2-[[5-(trifluoromethyl)-2-pyridinyl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]methanone
CID 158691645
[3-Fluoro-2-(5-fluoropyrimidin-2-yl)phenyl]-[2-[[5-(trifluoromethyl)pyrazin-2-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]methanone;[2-(5-fluoropyrimidin-2-yl)-3-methylphenyl]-[2-[[5-(trifluoromethyl)pyrazin-2-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]methanone;(2-pyrimidin-2-ylphenyl)-[2-[[5-(trifluoromethyl)pyrazin-2-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]methanone
CID 158813822

Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-(dimethylamino)piperidin-1-yl]-4-pyridinyl]-2-[6-(3-methylimidazol-4-yl)isoquinolin-3-yl]ethanone;1-[2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-4-pyridinyl]-2-[6-(3-methylimidazol-4-yl)isoquinolin-3-yl]ethanone;bis(2-[6-(3-methylimidazol-4-yl)isoquinolin-3-yl]-1-(2-piperidin-1-yl-4-pyridinyl)ethanone);2-[6-(3-methylimidazol-4-yl)isoquinolin-3-yl]-1-[2-(4-propan-2-ylpiperazin-1-yl)-4-pyridinyl]ethanone;2-[6-(3-methylimidazol-4-yl)isoquinolin-3-yl]-1-[2-(4-propylpiperazin-1-yl)-4-pyridinyl]ethanone?
The IUPAC name of 1-[2-[4-(dimethylamino)piperidin-1-yl]-4-pyridinyl]-2-[6-(3-methylimidazol-4-yl)isoquinolin-3-yl]ethanone;1-[2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-4-pyridinyl]-2-[6-(3-methylimidazol-4-yl)isoquinolin-3-yl]ethanone;bis(2-[6-(3-methylimidazol-4-yl)isoquinolin-3-yl]-1-(2-piperidin-1-yl-4-pyridinyl)ethanone);2-[6-(3-methylimidazol-4-yl)isoquinolin-3-yl]-1-[2-(4-propan-2-ylpiperazin-1-yl)-4-pyridinyl]ethanone;2-[6-(3-methylimidazol-4-yl)isoquinolin-3-yl]-1-[2-(4-propylpiperazin-1-yl)-4-pyridinyl]ethanone (CID 159139391) is 1-[2-[4-(dimethylamino)piperidin-1-yl]-4-pyridinyl]-2-[6-(3-methylimidazol-4-yl)isoquinolin-3-yl]ethanone;1-[2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-4-pyridinyl]-2-[6-(3-methylimidazol-4-yl)isoquinolin-3-yl]ethanone;bis(2-[6-(3-methylimidazol-4-yl)isoquinolin-3-yl]-1-(2-piperidin-1-yl-4-pyridinyl)ethanone);2-[6-(3-methylimidazol-4-yl)isoquinolin-3-yl]-1-[2-(4-propan-2-ylpiperazin-1-yl)-4-pyridinyl]ethanone;2-[6-(3-methylimidazol-4-yl)isoquinolin-3-yl]-1-[2-(4-propylpiperazin-1-yl)-4-pyridinyl]ethanone.
What is the SMILES notation for 1-[2-[4-(dimethylamino)piperidin-1-yl]-4-pyridinyl]-2-[6-(3-methylimidazol-4-yl)isoquinolin-3-yl]ethanone;1-[2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-4-pyridinyl]-2-[6-(3-methylimidazol-4-yl)isoquinolin-3-yl]ethanone;bis(2-[6-(3-methylimidazol-4-yl)isoquinolin-3-yl]-1-(2-piperidin-1-yl-4-pyridinyl)ethanone);2-[6-(3-methylimidazol-4-yl)isoquinolin-3-yl]-1-[2-(4-propan-2-ylpiperazin-1-yl)-4-pyridinyl]ethanone;2-[6-(3-methylimidazol-4-yl)isoquinolin-3-yl]-1-[2-(4-propylpiperazin-1-yl)-4-pyridinyl]ethanone?
The canonical SMILES for 1-[2-[4-(dimethylamino)piperidin-1-yl]-4-pyridinyl]-2-[6-(3-methylimidazol-4-yl)isoquinolin-3-yl]ethanone;1-[2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-4-pyridinyl]-2-[6-(3-methylimidazol-4-yl)isoquinolin-3-yl]ethanone;bis(2-[6-(3-methylimidazol-4-yl)isoquinolin-3-yl]-1-(2-piperidin-1-yl-4-pyridinyl)ethanone);2-[6-(3-methylimidazol-4-yl)isoquinolin-3-yl]-1-[2-(4-propan-2-ylpiperazin-1-yl)-4-pyridinyl]ethanone;2-[6-(3-methylimidazol-4-yl)isoquinolin-3-yl]-1-[2-(4-propylpiperazin-1-yl)-4-pyridinyl]ethanone is CC(C)N1CCN(c2cc(C(=O)Cc3cc4cc(-c5cncn5C)ccc4cn3)ccn2)CC1.CCCN1CCN(c2cc(C(=O)Cc3cc4cc(-c5cncn5C)ccc4cn3)ccn2)CC1.CN(C)C1CCN(c2cc(C(=O)Cc3cc4cc(-c5cncn5C)ccc4cn3)ccn2)CC1.CN1CC=C(c2cc(C(=O)Cc3cc4cc(-c5cncn5C)ccc4cn3)ccn2)CC1.Cn1cncc1-c1ccc2cnc(CC(=O)c3ccnc(N4CCCCC4)c3)cc2c1.Cn1cncc1-c1ccc2cnc(CC(=O)c3ccnc(N4CCCCC4)c3)cc2c1.
What is the InChIKey of 1-[2-[4-(dimethylamino)piperidin-1-yl]-4-pyridinyl]-2-[6-(3-methylimidazol-4-yl)isoquinolin-3-yl]ethanone;1-[2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-4-pyridinyl]-2-[6-(3-methylimidazol-4-yl)isoquinolin-3-yl]ethanone;bis(2-[6-(3-methylimidazol-4-yl)isoquinolin-3-yl]-1-(2-piperidin-1-yl-4-pyridinyl)ethanone);2-[6-(3-methylimidazol-4-yl)isoquinolin-3-yl]-1-[2-(4-propan-2-ylpiperazin-1-yl)-4-pyridinyl]ethanone;2-[6-(3-methylimidazol-4-yl)isoquinolin-3-yl]-1-[2-(4-propylpiperazin-1-yl)-4-pyridinyl]ethanone?
The InChIKey is KHXFVRWLWXUQGT-UHFFFAOYSA-N. The full InChI is InChI=1S/3C27H30N6O.C26H25N5O.2C25H25N5O/c1-31(2)24-7-10-33(11-8-24)27-14-20(6-9-29-27)26(34)15-23-13-22-12-19(4-5-21(22)16-30-23)25-17-28-18-32(25)3;1-19(2)32-8-10-33(11-9-32)27-14-21(6-7-29-27)26(34)15-24-13-23-12-20(4-5-22(23)16-30-24)25-17-28-18-31(25)3;1-3-8-32-9-11-33(12-10-32)27-15-21(6-7-29-27)26(34)16-24-14-23-13-20(4-5-22(23)17-30-24)25-18-28-19-31(25)2;1-30-9-6-18(7-10-30)24-13-20(5-8-28-24)26(32)14-23-12-22-11-19(3-4-21(22)15-29-23)25-16-27-17-31(25)2;2*1-29-17-26-16-23(29)18-5-6-20-15-28-22(12-21(20)11-18)14-24(31)19-7-8-27-25(13-19)30-9-3-2-4-10-30/h4-6,9,12-14,16-18,24H,7-8,10-11,15H2,1-3H3;4-7,12-14,16-19H,8-11,15H2,1-3H3;4-7,13-15,17-19H,3,8-12,16H2,1-2H3;3-6,8,11-13,15-17H,7,9-10,14H2,1-2H3;2*5-8,11-13,15-17H,2-4,9-10,14H2,1H3.
What are the key properties of 1-[2-[4-(dimethylamino)piperidin-1-yl]-4-pyridinyl]-2-[6-(3-methylimidazol-4-yl)isoquinolin-3-yl]ethanone;1-[2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-4-pyridinyl]-2-[6-(3-methylimidazol-4-yl)isoquinolin-3-yl]ethanone;bis(2-[6-(3-methylimidazol-4-yl)isoquinolin-3-yl]-1-(2-piperidin-1-yl-4-pyridinyl)ethanone);2-[6-(3-methylimidazol-4-yl)isoquinolin-3-yl]-1-[2-(4-propan-2-ylpiperazin-1-yl)-4-pyridinyl]ethanone;2-[6-(3-methylimidazol-4-yl)isoquinolin-3-yl]-1-[2-(4-propylpiperazin-1-yl)-4-pyridinyl]ethanone?
1-[2-[4-(dimethylamino)piperidin-1-yl]-4-pyridinyl]-2-[6-(3-methylimidazol-4-yl)isoquinolin-3-yl]ethanone;1-[2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-4-pyridinyl]-2-[6-(3-methylimidazol-4-yl)isoquinolin-3-yl]ethanone;bis(2-[6-(3-methylimidazol-4-yl)isoquinolin-3-yl]-1-(2-piperidin-1-yl-4-pyridinyl)ethanone);2-[6-(3-methylimidazol-4-yl)isoquinolin-3-yl]-1-[2-(4-propan-2-ylpiperazin-1-yl)-4-pyridinyl]ethanone;2-[6-(3-methylimidazol-4-yl)isoquinolin-3-yl]-1-[2-(4-propylpiperazin-1-yl)-4-pyridinyl]ethanone has a molecular weight of 2610.27 g/mol, XLogP of 25.03, 34 rotatable bonds, 0 hydrogen bond donors, and 39 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-(dimethylamino)piperidin-1-yl]-4-pyridinyl]-2-[6-(3-methylimidazol-4-yl)isoquinolin-3-yl]ethanone;1-[2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-4-pyridinyl]-2-[6-(3-methylimidazol-4-yl)isoquinolin-3-yl]ethanone;bis(2-[6-(3-methylimidazol-4-yl)isoquinolin-3-yl]-1-(2-piperidin-1-yl-4-pyridinyl)ethanone);2-[6-(3-methylimidazol-4-yl)isoquinolin-3-yl]-1-[2-(4-propan-2-ylpiperazin-1-yl)-4-pyridinyl]ethanone;2-[6-(3-methylimidazol-4-yl)isoquinolin-3-yl]-1-[2-(4-propylpiperazin-1-yl)-4-pyridinyl]ethanone is sourced from PubChem (CID 159139391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).