2-[6-(3-amino-5-fluorophenyl)isoquinolin-3-yl]-1-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]ethanone;1-(1-azabicyclo[2.2.2]octan-4-yl)-2-(6-pyridin-3-ylisoquinolin-3-yl)ethanone;1-cyclopropyl-2-(6-pyridin-3-ylisoquinolin-3-yl)ethanone;2-[6-[3-fluoro-5-(propan-2-ylamino)phenyl]isoquinolin-3-yl]-1-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]ethanone;1-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-2-(6-pyridin-2-ylisoquinolin-3-yl)ethanone;1-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-2-(6-pyridin-4-ylisoquinolin-3-yl)ethanone;1-(1-methylpiperidin-4-yl)-2-(6-pyridin-2-ylisoquinolin-3-yl)ethanone;1-(1-methylpiperidin-4-yl)-2-(6-pyridin-3-ylisoquinolin-3-yl)ethanone;1-(6-pyridin-3-ylisoquinolin-3-yl)-3-pyrrolidin-1-ylpropan-2-one

C216H214F2N34O9 — CID 158541070

IUPAC2-[6-(3-amino-5-fluorophenyl)isoquinolin-3-yl]-1-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]ethanone;1-(1-azabicyclo[2.2.2]octan-4-yl)-2-(6-pyridin-3-ylisoquinolin-3-yl)ethanone;1-cyclopropyl-2-(6-pyridin-3-ylisoquinolin-3-yl)ethanone;2-[6-[3-fluoro-5-(propan-2-ylamino)phenyl]isoquinolin-3-yl]-1-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]ethanone;1-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-2-(6-pyridin-2-ylisoquinolin-3-yl)ethanone;1-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-2-(6-pyridin-4-ylisoquinolin-3-yl)ethanone;1-(1-methylpiperidin-4-yl)-2-(6-pyridin-2-ylisoquinolin-3-yl)ethanone;1-(1-methylpiperidin-4-yl)-2-(6-pyridin-3-ylisoquinolin-3-yl)ethanone;1-(6-pyridin-3-ylisoquinolin-3-yl)-3-pyrrolidin-1-ylpropan-2-one
SMILESCC(C)Nc1cc(F)cc(-c2ccc3cnc(CC(=O)c4ccnc(N5CCN(C)CC5)c4)cc3c2)c1.CN1CCC(C(=O)Cc2cc3cc(-c4ccccn4)ccc3cn2)CC1.CN1CCC(C(=O)Cc2cc3cc(-c4cccnc4)ccc3cn2)CC1.CN1CCN(c2cc(C(=O)Cc3cc4cc(-c5cc(N)cc(F)c5)ccc4cn3)ccn2)CC1.CN1CCN(c2cc(C(=O)Cc3cc4cc(-c5ccccn5)ccc4cn3)ccn2)CC1.CN1CCN(c2cc(C(=O)Cc3cc4cc(-c5ccncc5)ccc4cn3)ccn2)CC1.O=C(Cc1cc2cc(-c3cccnc3)ccc2cn1)C12CCN(CC1)CC2.O=C(Cc1cc2cc(-c3cccnc3)ccc2cn1)C1CC1.O=C(Cc1cc2cc(-c3cccnc3)ccc2cn1)CN1CCCC1
InChIInChI=1S/C30H32FN5O.C27H26FN5O.2C26H25N5O.C23H23N3O.2C22H23N3O.C21H21N3O.C19H16N2O/c1-20(2)34-28-15-25(13-26(31)17-28)21-4-5-23-19-33-27(14-24(23)12-21)18-29(37)22-6-7-32-30(16-22)36-10-8-35(3)9-11-36;1-32-6-8-33(9-7-32)27-14-19(4-5-30-27)26(34)16-25-13-21-10-18(2-3-20(21)17-31-25)22-11-23(28)15-24(29)12-22;1-30-10-12-31(13-11-30)26-16-21(6-9-28-26)25(32)17-24-15-23-14-20(2-3-22(23)18-29-24)19-4-7-27-8-5-19;1-30-10-12-31(13-11-30)26-16-20(7-9-28-26)25(32)17-23-15-22-14-19(5-6-21(22)18-29-23)24-4-2-3-8-27-24;27-22(23-5-9-26(10-6-23)11-7-23)14-21-13-20-12-17(3-4-19(20)16-25-21)18-2-1-8-24-15-18;1-25-9-6-16(7-10-25)22(26)13-21-12-20-11-17(4-5-19(20)15-24-21)18-3-2-8-23-14-18;1-25-10-7-16(8-11-25)22(26)14-20-13-19-12-17(5-6-18(19)15-24-20)21-4-2-3-9-23-21;25-21(15-24-8-1-2-9-24)12-20-11-19-10-16(5-6-18(19)14-23-20)17-4-3-7-22-13-17;22-19(13-3-4-13)10-18-9-17-8-14(5-6-16(17)12-21-18)15-2-1-7-20-11-15/h4-7,12-17,19-20,34H,8-11,18H2,1-3H3;2-5,10-15,17H,6-9,16,29H2,1H3;2*2-9,14-16,18H,10-13,17H2,1H3;1-4,8,12-13,15-16H,5-7,9-11,14H2;2-5,8,11-12,14-16H,6-7,9-10,13H2,1H3;2-6,9,12-13,15-16H,7-8,10-11,14H2,1H3;3-7,10-11,13-14H,1-2,8-9,12,15H2;1-2,5-9,11-13H,3-4,10H2
InChIKeyHONHPDKGWDMJGL-UHFFFAOYSA-N
MW3468.31 g/mol
LogP36.08
Rot. Bonds43

About 2-[6-(3-amino-5-fluorophenyl)isoquinolin-3-yl]-1-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]ethanone;1-(1-azabicyclo[2.2.2]octan-4-yl)-2-(6-pyridin-3-ylisoquinolin-3-yl)ethanone;1-cyclopropyl-2-(6-pyridin-3-ylisoquinolin-3-yl)ethanone;2-[6-[3-fluoro-5-(propan-2-ylamino)phenyl]isoquinolin-3-yl]-1-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]ethanone;1-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-2-(6-pyridin-2-ylisoquinolin-3-yl)ethanone;1-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-2-(6-pyridin-4-ylisoquinolin-3-yl)ethanone;1-(1-methylpiperidin-4-yl)-2-(6-pyridin-2-ylisoquinolin-3-yl)ethanone;1-(1-methylpiperidin-4-yl)-2-(6-pyridin-3-ylisoquinolin-3-yl)ethanone;1-(6-pyridin-3-ylisoquinolin-3-yl)-3-pyrrolidin-1-ylpropan-2-one

2-[6-(3-amino-5-fluorophenyl)isoquinolin-3-yl]-1-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]ethanone;1-(1-azabicyclo[2.2.2]octan-4-yl)-2-(6-pyridin-3-ylisoquinolin-3-yl)ethanone;1-cyclopropyl-2-(6-pyridin-3-ylisoquinolin-3-yl)ethanone;2-[6-[3-fluoro-5-(propan-2-ylamino)phenyl]isoquinolin-3-yl]-1-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]ethanone;1-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-2-(6-pyridin-2-ylisoquinolin-3-yl)ethanone;1-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-2-(6-pyridin-4-ylisoquinolin-3-yl)ethanone;1-(1-methylpiperidin-4-yl)-2-(6-pyridin-2-ylisoquinolin-3-yl)ethanone;1-(1-methylpiperidin-4-yl)-2-(6-pyridin-3-ylisoquinolin-3-yl)ethanone;1-(6-pyridin-3-ylisoquinolin-3-yl)-3-pyrrolidin-1-ylpropan-2-one (PubChem CID 158541070) has the molecular formula C216H214F2N34O9 and a molecular weight of 3468.31 g/mol. Its IUPAC name is 2-[6-(3-amino-5-fluorophenyl)isoquinolin-3-yl]-1-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]ethanone;1-(1-azabicyclo[2.2.2]octan-4-yl)-2-(6-pyridin-3-ylisoquinolin-3-yl)ethanone;1-cyclopropyl-2-(6-pyridin-3-ylisoquinolin-3-yl)ethanone;2-[6-[3-fluoro-5-(propan-2-ylamino)phenyl]isoquinolin-3-yl]-1-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]ethanone;1-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-2-(6-pyridin-2-ylisoquinolin-3-yl)ethanone;1-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-2-(6-pyridin-4-ylisoquinolin-3-yl)ethanone;1-(1-methylpiperidin-4-yl)-2-(6-pyridin-2-ylisoquinolin-3-yl)ethanone;1-(1-methylpiperidin-4-yl)-2-(6-pyridin-3-ylisoquinolin-3-yl)ethanone;1-(6-pyridin-3-ylisoquinolin-3-yl)-3-pyrrolidin-1-ylpropan-2-one.

Molecular Properties

Compound Name2-[6-(3-amino-5-fluorophenyl)isoquinolin-3-yl]-1-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]ethanone;1-(1-azabicyclo[2.2.2]octan-4-yl)-2-(6-pyridin-3-ylisoquinolin-3-yl)ethanone;1-cyclopropyl-2-(6-pyridin-3-ylisoquinolin-3-yl)ethanone;2-[6-[3-fluoro-5-(propan-2-ylamino)phenyl]isoquinolin-3-yl]-1-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]ethanone;1-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-2-(6-pyridin-2-ylisoquinolin-3-yl)ethanone;1-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-2-(6-pyridin-4-ylisoquinolin-3-yl)ethanone;1-(1-methylpiperidin-4-yl)-2-(6-pyridin-2-ylisoquinolin-3-yl)ethanone;1-(1-methylpiperidin-4-yl)-2-(6-pyridin-3-ylisoquinolin-3-yl)ethanone;1-(6-pyridin-3-ylisoquinolin-3-yl)-3-pyrrolidin-1-ylpropan-2-one
PubChem CID158541070
Molecular FormulaC216H214F2N34O9
Molecular Weight3468.31 g/mol
Exact Mass3465.73
IUPAC Name2-[6-(3-amino-5-fluorophenyl)isoquinolin-3-yl]-1-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]ethanone;1-(1-azabicyclo[2.2.2]octan-4-yl)-2-(6-pyridin-3-ylisoquinolin-3-yl)ethanone;1-cyclopropyl-2-(6-pyridin-3-ylisoquinolin-3-yl)ethanone;2-[6-[3-fluoro-5-(propan-2-ylamino)phenyl]isoquinolin-3-yl]-1-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]ethanone;1-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-2-(6-pyridin-2-ylisoquinolin-3-yl)ethanone;1-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-2-(6-pyridin-4-ylisoquinolin-3-yl)ethanone;1-(1-methylpiperidin-4-yl)-2-(6-pyridin-2-ylisoquinolin-3-yl)ethanone;1-(1-methylpiperidin-4-yl)-2-(6-pyridin-3-ylisoquinolin-3-yl)ethanone;1-(6-pyridin-3-ylisoquinolin-3-yl)-3-pyrrolidin-1-ylpropan-2-one
SMILESCC(C)Nc1cc(F)cc(-c2ccc3cnc(CC(=O)c4ccnc(N5CCN(C)CC5)c4)cc3c2)c1.CN1CCC(C(=O)Cc2cc3cc(-c4ccccn4)ccc3cn2)CC1.CN1CCC(C(=O)Cc2cc3cc(-c4cccnc4)ccc3cn2)CC1.CN1CCN(c2cc(C(=O)Cc3cc4cc(-c5cc(N)cc(F)c5)ccc4cn3)ccn2)CC1.CN1CCN(c2cc(C(=O)Cc3cc4cc(-c5ccccn5)ccc4cn3)ccn2)CC1.CN1CCN(c2cc(C(=O)Cc3cc4cc(-c5ccncc5)ccc4cn3)ccn2)CC1.O=C(Cc1cc2cc(-c3cccnc3)ccc2cn1)C12CCN(CC1)CC2.O=C(Cc1cc2cc(-c3cccnc3)ccc2cn1)C1CC1.O=C(Cc1cc2cc(-c3cccnc3)ccc2cn1)CN1CCCC1
InChIInChI=1S/C30H32FN5O.C27H26FN5O.2C26H25N5O.C23H23N3O.2C22H23N3O.C21H21N3O.C19H16N2O/c1-20(2)34-28-15-25(13-26(31)17-28)21-4-5-23-19-33-27(14-24(23)12-21)18-29(37)22-6-7-32-30(16-22)36-10-8-35(3)9-11-36;1-32-6-8-33(9-7-32)27-14-19(4-5-30-27)26(34)16-25-13-21-10-18(2-3-20(21)17-31-25)22-11-23(28)15-24(29)12-22;1-30-10-12-31(13-11-30)26-16-21(6-9-28-26)25(32)17-24-15-23-14-20(2-3-22(23)18-29-24)19-4-7-27-8-5-19;1-30-10-12-31(13-11-30)26-16-20(7-9-28-26)25(32)17-23-15-22-14-19(5-6-21(22)18-29-23)24-4-2-3-8-27-24;27-22(23-5-9-26(10-6-23)11-7-23)14-21-13-20-12-17(3-4-19(20)16-25-21)18-2-1-8-24-15-18;1-25-9-6-16(7-10-25)22(26)13-21-12-20-11-17(4-5-19(20)15-24-21)18-3-2-8-23-14-18;1-25-10-7-16(8-11-25)22(26)14-20-13-19-12-17(5-6-18(19)15-24-20)21-4-2-3-9-23-21;25-21(15-24-8-1-2-9-24)12-20-11-19-10-16(5-6-18(19)14-23-20)17-4-3-7-22-13-17;22-19(13-3-4-13)10-18-9-17-8-14(5-6-16(17)12-21-18)15-2-1-7-20-11-15/h4-7,12-17,19-20,34H,8-11,18H2,1-3H3;2-5,10-15,17H,6-9,16,29H2,1H3;2*2-9,14-16,18H,10-13,17H2,1H3;1-4,8,12-13,15-16H,5-7,9-11,14H2;2-5,8,11-12,14-16H,6-7,9-10,13H2,1H3;2-6,9,12-13,15-16H,7-8,10-11,14H2,1H3;3-7,10-11,13-14H,1-2,8-9,12,15H2;1-2,5-9,11-13H,3-4,10H2
InChIKeyHONHPDKGWDMJGL-UHFFFAOYSA-N
XLogP36.08
TPSA488.36 Ų
H-Bond Donors2
H-Bond Acceptors43
Rotatable Bonds43
Heavy Atoms261
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003468.31
LogP ≤ 536.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1043

Computed Properties (RDKit)

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

Analyze 2-[6-(3-amino-5-fluorophenyl)isoquinolin-3-yl]-1-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]ethanone;1-(1-azabicyclo[2.2.2]octan-4-yl)-2-(6-pyridin-3-ylisoquinolin-3-yl)ethanone;1-cyclopropyl-2-(6-pyridin-3-ylisoquinolin-3-yl)ethanone;2-[6-[3-fluoro-5-(propan-2-ylamino)phenyl]isoquinolin-3-yl]-1-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]ethanone;1-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-2-(6-pyridin-2-ylisoquinolin-3-yl)ethanone;1-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-2-(6-pyridin-4-ylisoquinolin-3-yl)ethanone;1-(1-methylpiperidin-4-yl)-2-(6-pyridin-2-ylisoquinolin-3-yl)ethanone;1-(1-methylpiperidin-4-yl)-2-(6-pyridin-3-ylisoquinolin-3-yl)ethanone;1-(6-pyridin-3-ylisoquinolin-3-yl)-3-pyrrolidin-1-ylpropan-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-cyclohexyl-2-[6-[5-(piperidin-4-ylamino)-3-pyridinyl]isoquinolin-3-yl]ethanone;2-[6-[5-(dimethylamino)-3-pyridinyl]isoquinolin-3-yl]-1-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]ethanone;1-(4-methylphenyl)-2-[6-[5-[(1-methylpiperidin-4-yl)amino]-3-pyridinyl]isoquinolin-3-yl]ethanone;1-(4-methylphenyl)-2-[6-[5-(piperidin-4-ylamino)-3-pyridinyl]isoquinolin-3-yl]ethanone;1-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-2-[6-[5-(propan-2-ylamino)-3-pyridinyl]isoquinolin-3-yl]ethanone;N-[5-[3-[2-(1-methylpiperidin-4-yl)-2-oxoethyl]isoquinolin-6-yl]-3-pyridinyl]acetamide
CID 162243864
2-[6-(5-fluoro-3-pyridinyl)isoquinolin-3-yl]-1-(1-methylpiperidin-4-yl)ethanone
CID 158589955
2-[6-(3-methylimidazol-4-yl)isoquinolin-3-yl]-1-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]ethanone
CID 149080045
1-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-2-(6-pyridin-4-ylcinnolin-3-yl)ethanone
CID 159421028
2-[6-(5-amino-1-methylpyrazol-4-yl)isoquinolin-3-yl]-1-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]ethanone
CID 147259200
1-(4-methylpiperazin-1-yl)-3-(2-pyridin-3-yl-1,6-naphthyridin-7-yl)propan-2-one
CID 162101609
1-(4-methylpiperazin-1-yl)-3-(6-pyridin-3-yl-2,7-naphthyridin-3-yl)propan-2-one
CID 158847291
2-[6-(5-fluoro-3-pyridinyl)isoquinolin-3-yl]-1-[2-(1-methylpiperidin-4-yl)-1,3-oxazol-4-yl]ethanone;2-[6-(5-fluoro-3-pyridinyl)isoquinolin-3-yl]-1-(2-piperidin-4-yl-1,3-oxazol-4-yl)ethanone;1-(7-fluoro-6-pyridin-3-ylisoquinolin-3-yl)-3-piperidin-1-ylpropan-2-one;2-[6-[6-[(1-methylpiperidin-4-yl)amino]pyrazin-2-yl]isoquinolin-3-yl]-1-(1-propan-2-ylpyrazol-4-yl)ethanone;1-[2-(1-methylpiperidin-4-yl)-1,3-oxazol-4-yl]-2-(6-pyridin-3-ylisoquinolin-3-yl)ethanone;1-(2-piperidin-4-yl-1,3-oxazol-4-yl)-2-(6-pyridin-3-ylisoquinolin-3-yl)ethanone
CID 159655171
2-[6-(3-methylimidazol-4-yl)isoquinolin-3-yl]-1-[2-(4-propan-2-ylpiperazin-1-yl)-4-pyridinyl]ethanone
CID 147352426
2-[6-(1-ethylpyrazol-4-yl)isoquinolin-3-yl]-1-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]ethanone
CID 157291499
2-[6-[5-(dimethylamino)-3-pyridinyl]-2,7-naphthyridin-3-yl]-1-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]ethanone
CID 159696630
2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1-[2-(4-propan-2-ylpiperazin-1-yl)-4-pyridinyl]ethanone
CID 147499444

Frequently Asked Questions

What is the IUPAC name of 2-[6-(3-amino-5-fluorophenyl)isoquinolin-3-yl]-1-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]ethanone;1-(1-azabicyclo[2.2.2]octan-4-yl)-2-(6-pyridin-3-ylisoquinolin-3-yl)ethanone;1-cyclopropyl-2-(6-pyridin-3-ylisoquinolin-3-yl)ethanone;2-[6-[3-fluoro-5-(propan-2-ylamino)phenyl]isoquinolin-3-yl]-1-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]ethanone;1-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-2-(6-pyridin-2-ylisoquinolin-3-yl)ethanone;1-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-2-(6-pyridin-4-ylisoquinolin-3-yl)ethanone;1-(1-methylpiperidin-4-yl)-2-(6-pyridin-2-ylisoquinolin-3-yl)ethanone;1-(1-methylpiperidin-4-yl)-2-(6-pyridin-3-ylisoquinolin-3-yl)ethanone;1-(6-pyridin-3-ylisoquinolin-3-yl)-3-pyrrolidin-1-ylpropan-2-one?
The IUPAC name of 2-[6-(3-amino-5-fluorophenyl)isoquinolin-3-yl]-1-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]ethanone;1-(1-azabicyclo[2.2.2]octan-4-yl)-2-(6-pyridin-3-ylisoquinolin-3-yl)ethanone;1-cyclopropyl-2-(6-pyridin-3-ylisoquinolin-3-yl)ethanone;2-[6-[3-fluoro-5-(propan-2-ylamino)phenyl]isoquinolin-3-yl]-1-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]ethanone;1-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-2-(6-pyridin-2-ylisoquinolin-3-yl)ethanone;1-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-2-(6-pyridin-4-ylisoquinolin-3-yl)ethanone;1-(1-methylpiperidin-4-yl)-2-(6-pyridin-2-ylisoquinolin-3-yl)ethanone;1-(1-methylpiperidin-4-yl)-2-(6-pyridin-3-ylisoquinolin-3-yl)ethanone;1-(6-pyridin-3-ylisoquinolin-3-yl)-3-pyrrolidin-1-ylpropan-2-one (CID 158541070) is 2-[6-(3-amino-5-fluorophenyl)isoquinolin-3-yl]-1-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]ethanone;1-(1-azabicyclo[2.2.2]octan-4-yl)-2-(6-pyridin-3-ylisoquinolin-3-yl)ethanone;1-cyclopropyl-2-(6-pyridin-3-ylisoquinolin-3-yl)ethanone;2-[6-[3-fluoro-5-(propan-2-ylamino)phenyl]isoquinolin-3-yl]-1-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]ethanone;1-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-2-(6-pyridin-2-ylisoquinolin-3-yl)ethanone;1-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-2-(6-pyridin-4-ylisoquinolin-3-yl)ethanone;1-(1-methylpiperidin-4-yl)-2-(6-pyridin-2-ylisoquinolin-3-yl)ethanone;1-(1-methylpiperidin-4-yl)-2-(6-pyridin-3-ylisoquinolin-3-yl)ethanone;1-(6-pyridin-3-ylisoquinolin-3-yl)-3-pyrrolidin-1-ylpropan-2-one.
What is the SMILES notation for 2-[6-(3-amino-5-fluorophenyl)isoquinolin-3-yl]-1-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]ethanone;1-(1-azabicyclo[2.2.2]octan-4-yl)-2-(6-pyridin-3-ylisoquinolin-3-yl)ethanone;1-cyclopropyl-2-(6-pyridin-3-ylisoquinolin-3-yl)ethanone;2-[6-[3-fluoro-5-(propan-2-ylamino)phenyl]isoquinolin-3-yl]-1-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]ethanone;1-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-2-(6-pyridin-2-ylisoquinolin-3-yl)ethanone;1-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-2-(6-pyridin-4-ylisoquinolin-3-yl)ethanone;1-(1-methylpiperidin-4-yl)-2-(6-pyridin-2-ylisoquinolin-3-yl)ethanone;1-(1-methylpiperidin-4-yl)-2-(6-pyridin-3-ylisoquinolin-3-yl)ethanone;1-(6-pyridin-3-ylisoquinolin-3-yl)-3-pyrrolidin-1-ylpropan-2-one?
The canonical SMILES for 2-[6-(3-amino-5-fluorophenyl)isoquinolin-3-yl]-1-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]ethanone;1-(1-azabicyclo[2.2.2]octan-4-yl)-2-(6-pyridin-3-ylisoquinolin-3-yl)ethanone;1-cyclopropyl-2-(6-pyridin-3-ylisoquinolin-3-yl)ethanone;2-[6-[3-fluoro-5-(propan-2-ylamino)phenyl]isoquinolin-3-yl]-1-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]ethanone;1-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-2-(6-pyridin-2-ylisoquinolin-3-yl)ethanone;1-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-2-(6-pyridin-4-ylisoquinolin-3-yl)ethanone;1-(1-methylpiperidin-4-yl)-2-(6-pyridin-2-ylisoquinolin-3-yl)ethanone;1-(1-methylpiperidin-4-yl)-2-(6-pyridin-3-ylisoquinolin-3-yl)ethanone;1-(6-pyridin-3-ylisoquinolin-3-yl)-3-pyrrolidin-1-ylpropan-2-one is CC(C)Nc1cc(F)cc(-c2ccc3cnc(CC(=O)c4ccnc(N5CCN(C)CC5)c4)cc3c2)c1.CN1CCC(C(=O)Cc2cc3cc(-c4ccccn4)ccc3cn2)CC1.CN1CCC(C(=O)Cc2cc3cc(-c4cccnc4)ccc3cn2)CC1.CN1CCN(c2cc(C(=O)Cc3cc4cc(-c5cc(N)cc(F)c5)ccc4cn3)ccn2)CC1.CN1CCN(c2cc(C(=O)Cc3cc4cc(-c5ccccn5)ccc4cn3)ccn2)CC1.CN1CCN(c2cc(C(=O)Cc3cc4cc(-c5ccncc5)ccc4cn3)ccn2)CC1.O=C(Cc1cc2cc(-c3cccnc3)ccc2cn1)C12CCN(CC1)CC2.O=C(Cc1cc2cc(-c3cccnc3)ccc2cn1)C1CC1.O=C(Cc1cc2cc(-c3cccnc3)ccc2cn1)CN1CCCC1.
What is the InChIKey of 2-[6-(3-amino-5-fluorophenyl)isoquinolin-3-yl]-1-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]ethanone;1-(1-azabicyclo[2.2.2]octan-4-yl)-2-(6-pyridin-3-ylisoquinolin-3-yl)ethanone;1-cyclopropyl-2-(6-pyridin-3-ylisoquinolin-3-yl)ethanone;2-[6-[3-fluoro-5-(propan-2-ylamino)phenyl]isoquinolin-3-yl]-1-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]ethanone;1-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-2-(6-pyridin-2-ylisoquinolin-3-yl)ethanone;1-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-2-(6-pyridin-4-ylisoquinolin-3-yl)ethanone;1-(1-methylpiperidin-4-yl)-2-(6-pyridin-2-ylisoquinolin-3-yl)ethanone;1-(1-methylpiperidin-4-yl)-2-(6-pyridin-3-ylisoquinolin-3-yl)ethanone;1-(6-pyridin-3-ylisoquinolin-3-yl)-3-pyrrolidin-1-ylpropan-2-one?
The InChIKey is HONHPDKGWDMJGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H32FN5O.C27H26FN5O.2C26H25N5O.C23H23N3O.2C22H23N3O.C21H21N3O.C19H16N2O/c1-20(2)34-28-15-25(13-26(31)17-28)21-4-5-23-19-33-27(14-24(23)12-21)18-29(37)22-6-7-32-30(16-22)36-10-8-35(3)9-11-36;1-32-6-8-33(9-7-32)27-14-19(4-5-30-27)26(34)16-25-13-21-10-18(2-3-20(21)17-31-25)22-11-23(28)15-24(29)12-22;1-30-10-12-31(13-11-30)26-16-21(6-9-28-26)25(32)17-24-15-23-14-20(2-3-22(23)18-29-24)19-4-7-27-8-5-19;1-30-10-12-31(13-11-30)26-16-20(7-9-28-26)25(32)17-23-15-22-14-19(5-6-21(22)18-29-23)24-4-2-3-8-27-24;27-22(23-5-9-26(10-6-23)11-7-23)14-21-13-20-12-17(3-4-19(20)16-25-21)18-2-1-8-24-15-18;1-25-9-6-16(7-10-25)22(26)13-21-12-20-11-17(4-5-19(20)15-24-21)18-3-2-8-23-14-18;1-25-10-7-16(8-11-25)22(26)14-20-13-19-12-17(5-6-18(19)15-24-20)21-4-2-3-9-23-21;25-21(15-24-8-1-2-9-24)12-20-11-19-10-16(5-6-18(19)14-23-20)17-4-3-7-22-13-17;22-19(13-3-4-13)10-18-9-17-8-14(5-6-16(17)12-21-18)15-2-1-7-20-11-15/h4-7,12-17,19-20,34H,8-11,18H2,1-3H3;2-5,10-15,17H,6-9,16,29H2,1H3;2*2-9,14-16,18H,10-13,17H2,1H3;1-4,8,12-13,15-16H,5-7,9-11,14H2;2-5,8,11-12,14-16H,6-7,9-10,13H2,1H3;2-6,9,12-13,15-16H,7-8,10-11,14H2,1H3;3-7,10-11,13-14H,1-2,8-9,12,15H2;1-2,5-9,11-13H,3-4,10H2.
What are the key properties of 2-[6-(3-amino-5-fluorophenyl)isoquinolin-3-yl]-1-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]ethanone;1-(1-azabicyclo[2.2.2]octan-4-yl)-2-(6-pyridin-3-ylisoquinolin-3-yl)ethanone;1-cyclopropyl-2-(6-pyridin-3-ylisoquinolin-3-yl)ethanone;2-[6-[3-fluoro-5-(propan-2-ylamino)phenyl]isoquinolin-3-yl]-1-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]ethanone;1-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-2-(6-pyridin-2-ylisoquinolin-3-yl)ethanone;1-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-2-(6-pyridin-4-ylisoquinolin-3-yl)ethanone;1-(1-methylpiperidin-4-yl)-2-(6-pyridin-2-ylisoquinolin-3-yl)ethanone;1-(1-methylpiperidin-4-yl)-2-(6-pyridin-3-ylisoquinolin-3-yl)ethanone;1-(6-pyridin-3-ylisoquinolin-3-yl)-3-pyrrolidin-1-ylpropan-2-one?
2-[6-(3-amino-5-fluorophenyl)isoquinolin-3-yl]-1-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]ethanone;1-(1-azabicyclo[2.2.2]octan-4-yl)-2-(6-pyridin-3-ylisoquinolin-3-yl)ethanone;1-cyclopropyl-2-(6-pyridin-3-ylisoquinolin-3-yl)ethanone;2-[6-[3-fluoro-5-(propan-2-ylamino)phenyl]isoquinolin-3-yl]-1-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]ethanone;1-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-2-(6-pyridin-2-ylisoquinolin-3-yl)ethanone;1-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-2-(6-pyridin-4-ylisoquinolin-3-yl)ethanone;1-(1-methylpiperidin-4-yl)-2-(6-pyridin-2-ylisoquinolin-3-yl)ethanone;1-(1-methylpiperidin-4-yl)-2-(6-pyridin-3-ylisoquinolin-3-yl)ethanone;1-(6-pyridin-3-ylisoquinolin-3-yl)-3-pyrrolidin-1-ylpropan-2-one has a molecular weight of 3468.31 g/mol, XLogP of 36.08, 43 rotatable bonds, 2 hydrogen bond donors, and 43 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(3-amino-5-fluorophenyl)isoquinolin-3-yl]-1-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]ethanone;1-(1-azabicyclo[2.2.2]octan-4-yl)-2-(6-pyridin-3-ylisoquinolin-3-yl)ethanone;1-cyclopropyl-2-(6-pyridin-3-ylisoquinolin-3-yl)ethanone;2-[6-[3-fluoro-5-(propan-2-ylamino)phenyl]isoquinolin-3-yl]-1-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]ethanone;1-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-2-(6-pyridin-2-ylisoquinolin-3-yl)ethanone;1-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-2-(6-pyridin-4-ylisoquinolin-3-yl)ethanone;1-(1-methylpiperidin-4-yl)-2-(6-pyridin-2-ylisoquinolin-3-yl)ethanone;1-(1-methylpiperidin-4-yl)-2-(6-pyridin-3-ylisoquinolin-3-yl)ethanone;1-(6-pyridin-3-ylisoquinolin-3-yl)-3-pyrrolidin-1-ylpropan-2-one is sourced from PubChem (CID 158541070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).