1-[2-[3-(dimethylamino)azetidin-1-yl]-4-pyridinyl]-2-[6-(1,3-oxazol-5-yl)isoquinolin-3-yl]ethanone;1-[2-[2-(dimethylamino)ethylamino]-4-pyridinyl]-2-[6-(1,3-oxazol-5-yl)isoquinolin-3-yl]ethanone;1-[2-(3-methylazetidin-1-yl)-4-pyridinyl]-2-[6-(1,3-oxazol-5-yl)isoquinolin-3-yl]ethanone;N-methyl-5-[2-[6-(1,3-oxazol-5-yl)isoquinolin-3-yl]acetyl]pyridine-2-carboxamide;1-[3-(4-methylpiperazin-1-yl)phenyl]-2-[6-(1,3-oxazol-5-yl)isoquinolin-3-yl]ethanone;1-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-2-[6-(1,3-oxazol-5-yl)isoquinolin-3-yl]ethanone;1-[3-(1-methylpiperidin-4-yl)oxyphenyl]-2-[6-(1,3-oxazol-5-yl)isoquinolin-3-yl]ethanone;2-[6-(1,3-oxazol-5-yl)isoquinolin-3-yl]-1-(2-pyrrolidin-1-yl-4-pyridinyl)ethanone

C189H174N34O18 — CID 158662846

IUPAC1-[2-[3-(dimethylamino)azetidin-1-yl]-4-pyridinyl]-2-[6-(1,3-oxazol-5-yl)isoquinolin-3-yl]ethanone;1-[2-[2-(dimethylamino)ethylamino]-4-pyridinyl]-2-[6-(1,3-oxazol-5-yl)isoquinolin-3-yl]ethanone;1-[2-(3-methylazetidin-1-yl)-4-pyridinyl]-2-[6-(1,3-oxazol-5-yl)isoquinolin-3-yl]ethanone;N-methyl-5-[2-[6-(1,3-oxazol-5-yl)isoquinolin-3-yl]acetyl]pyridine-2-carboxamide;1-[3-(4-methylpiperazin-1-yl)phenyl]-2-[6-(1,3-oxazol-5-yl)isoquinolin-3-yl]ethanone;1-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-2-[6-(1,3-oxazol-5-yl)isoquinolin-3-yl]ethanone;1-[3-(1-methylpiperidin-4-yl)oxyphenyl]-2-[6-(1,3-oxazol-5-yl)isoquinolin-3-yl]ethanone;2-[6-(1,3-oxazol-5-yl)isoquinolin-3-yl]-1-(2-pyrrolidin-1-yl-4-pyridinyl)ethanone
SMILESCC1CN(c2cc(C(=O)Cc3cc4cc(-c5cnco5)ccc4cn3)ccn2)C1.CN(C)C1CN(c2cc(C(=O)Cc3cc4cc(-c5cnco5)ccc4cn3)ccn2)C1.CN(C)CCNc1cc(C(=O)Cc2cc3cc(-c4cnco4)ccc3cn2)ccn1.CN1CCC(Oc2cccc(C(=O)Cc3cc4cc(-c5cnco5)ccc4cn3)c2)CC1.CN1CCN(c2ccc(C(=O)Cc3cc4cc(-c5cnco5)ccc4cn3)cn2)CC1.CN1CCN(c2cccc(C(=O)Cc3cc4cc(-c5cnco5)ccc4cn3)c2)CC1.CNC(=O)c1ccc(C(=O)Cc2cc3cc(-c4cnco4)ccc3cn2)cn1.O=C(Cc1cc2cc(-c3cnco3)ccc2cn1)c1ccnc(N2CCCC2)c1
InChIInChI=1S/C26H25N3O3.C25H24N4O2.2C24H23N5O2.C23H23N5O2.2C23H20N4O2.C21H16N4O3/c1-29-9-7-23(8-10-29)32-24-4-2-3-18(13-24)25(30)14-22-12-21-11-19(26-16-27-17-31-26)5-6-20(21)15-28-22;1-28-7-9-29(10-8-28)23-4-2-3-18(13-23)24(30)14-22-12-21-11-19(25-16-26-17-31-25)5-6-20(21)15-27-22;1-28(2)21-13-29(14-21)24-9-16(5-6-26-24)22(30)10-20-8-19-7-17(23-12-25-15-31-23)3-4-18(19)11-27-20;1-28-6-8-29(9-7-28)24-5-4-19(14-27-24)22(30)12-21-11-20-10-17(23-15-25-16-31-23)2-3-18(20)13-26-21;1-28(2)8-7-26-23-11-16(5-6-25-23)21(29)12-20-10-19-9-17(22-14-24-15-30-22)3-4-18(19)13-27-20;1-15-12-27(13-15)23-8-16(4-5-25-23)21(28)9-20-7-19-6-17(22-11-24-14-29-22)2-3-18(19)10-26-20;28-21(16-5-6-25-23(11-16)27-7-1-2-8-27)12-20-10-19-9-17(22-14-24-15-29-22)3-4-18(19)13-26-20;1-22-21(27)18-5-4-15(10-25-18)19(26)8-17-7-16-6-13(20-11-23-12-28-20)2-3-14(16)9-24-17/h2-6,11-13,15-17,23H,7-10,14H2,1H3;2-6,11-13,15-17H,7-10,14H2,1H3;3-9,11-12,15,21H,10,13-14H2,1-2H3;2-5,10-11,13-16H,6-9,12H2,1H3;3-6,9-11,13-15H,7-8,12H2,1-2H3,(H,25,26);2-8,10-11,14-15H,9,12-13H2,1H3;3-6,9-11,13-15H,1-2,7-8,12H2;2-7,9-12H,8H2,1H3,(H,22,27)
InChIKeyICYYXDYISQMTBE-UHFFFAOYSA-N
MW3209.69 g/mol
LogP31.01
Rot. Bonds45

About 1-[2-[3-(dimethylamino)azetidin-1-yl]-4-pyridinyl]-2-[6-(1,3-oxazol-5-yl)isoquinolin-3-yl]ethanone;1-[2-[2-(dimethylamino)ethylamino]-4-pyridinyl]-2-[6-(1,3-oxazol-5-yl)isoquinolin-3-yl]ethanone;1-[2-(3-methylazetidin-1-yl)-4-pyridinyl]-2-[6-(1,3-oxazol-5-yl)isoquinolin-3-yl]ethanone;N-methyl-5-[2-[6-(1,3-oxazol-5-yl)isoquinolin-3-yl]acetyl]pyridine-2-carboxamide;1-[3-(4-methylpiperazin-1-yl)phenyl]-2-[6-(1,3-oxazol-5-yl)isoquinolin-3-yl]ethanone;1-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-2-[6-(1,3-oxazol-5-yl)isoquinolin-3-yl]ethanone;1-[3-(1-methylpiperidin-4-yl)oxyphenyl]-2-[6-(1,3-oxazol-5-yl)isoquinolin-3-yl]ethanone;2-[6-(1,3-oxazol-5-yl)isoquinolin-3-yl]-1-(2-pyrrolidin-1-yl-4-pyridinyl)ethanone

1-[2-[3-(dimethylamino)azetidin-1-yl]-4-pyridinyl]-2-[6-(1,3-oxazol-5-yl)isoquinolin-3-yl]ethanone;1-[2-[2-(dimethylamino)ethylamino]-4-pyridinyl]-2-[6-(1,3-oxazol-5-yl)isoquinolin-3-yl]ethanone;1-[2-(3-methylazetidin-1-yl)-4-pyridinyl]-2-[6-(1,3-oxazol-5-yl)isoquinolin-3-yl]ethanone;N-methyl-5-[2-[6-(1,3-oxazol-5-yl)isoquinolin-3-yl]acetyl]pyridine-2-carboxamide;1-[3-(4-methylpiperazin-1-yl)phenyl]-2-[6-(1,3-oxazol-5-yl)isoquinolin-3-yl]ethanone;1-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-2-[6-(1,3-oxazol-5-yl)isoquinolin-3-yl]ethanone;1-[3-(1-methylpiperidin-4-yl)oxyphenyl]-2-[6-(1,3-oxazol-5-yl)isoquinolin-3-yl]ethanone;2-[6-(1,3-oxazol-5-yl)isoquinolin-3-yl]-1-(2-pyrrolidin-1-yl-4-pyridinyl)ethanone (PubChem CID 158662846) has the molecular formula C189H174N34O18 and a molecular weight of 3209.69 g/mol. Its IUPAC name is 1-[2-[3-(dimethylamino)azetidin-1-yl]-4-pyridinyl]-2-[6-(1,3-oxazol-5-yl)isoquinolin-3-yl]ethanone;1-[2-[2-(dimethylamino)ethylamino]-4-pyridinyl]-2-[6-(1,3-oxazol-5-yl)isoquinolin-3-yl]ethanone;1-[2-(3-methylazetidin-1-yl)-4-pyridinyl]-2-[6-(1,3-oxazol-5-yl)isoquinolin-3-yl]ethanone;N-methyl-5-[2-[6-(1,3-oxazol-5-yl)isoquinolin-3-yl]acetyl]pyridine-2-carboxamide;1-[3-(4-methylpiperazin-1-yl)phenyl]-2-[6-(1,3-oxazol-5-yl)isoquinolin-3-yl]ethanone;1-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-2-[6-(1,3-oxazol-5-yl)isoquinolin-3-yl]ethanone;1-[3-(1-methylpiperidin-4-yl)oxyphenyl]-2-[6-(1,3-oxazol-5-yl)isoquinolin-3-yl]ethanone;2-[6-(1,3-oxazol-5-yl)isoquinolin-3-yl]-1-(2-pyrrolidin-1-yl-4-pyridinyl)ethanone.

Molecular Properties

Compound Name1-[2-[3-(dimethylamino)azetidin-1-yl]-4-pyridinyl]-2-[6-(1,3-oxazol-5-yl)isoquinolin-3-yl]ethanone;1-[2-[2-(dimethylamino)ethylamino]-4-pyridinyl]-2-[6-(1,3-oxazol-5-yl)isoquinolin-3-yl]ethanone;1-[2-(3-methylazetidin-1-yl)-4-pyridinyl]-2-[6-(1,3-oxazol-5-yl)isoquinolin-3-yl]ethanone;N-methyl-5-[2-[6-(1,3-oxazol-5-yl)isoquinolin-3-yl]acetyl]pyridine-2-carboxamide;1-[3-(4-methylpiperazin-1-yl)phenyl]-2-[6-(1,3-oxazol-5-yl)isoquinolin-3-yl]ethanone;1-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-2-[6-(1,3-oxazol-5-yl)isoquinolin-3-yl]ethanone;1-[3-(1-methylpiperidin-4-yl)oxyphenyl]-2-[6-(1,3-oxazol-5-yl)isoquinolin-3-yl]ethanone;2-[6-(1,3-oxazol-5-yl)isoquinolin-3-yl]-1-(2-pyrrolidin-1-yl-4-pyridinyl)ethanone
PubChem CID158662846
Molecular FormulaC189H174N34O18
Molecular Weight3209.69 g/mol
Exact Mass3207.37
IUPAC Name1-[2-[3-(dimethylamino)azetidin-1-yl]-4-pyridinyl]-2-[6-(1,3-oxazol-5-yl)isoquinolin-3-yl]ethanone;1-[2-[2-(dimethylamino)ethylamino]-4-pyridinyl]-2-[6-(1,3-oxazol-5-yl)isoquinolin-3-yl]ethanone;1-[2-(3-methylazetidin-1-yl)-4-pyridinyl]-2-[6-(1,3-oxazol-5-yl)isoquinolin-3-yl]ethanone;N-methyl-5-[2-[6-(1,3-oxazol-5-yl)isoquinolin-3-yl]acetyl]pyridine-2-carboxamide;1-[3-(4-methylpiperazin-1-yl)phenyl]-2-[6-(1,3-oxazol-5-yl)isoquinolin-3-yl]ethanone;1-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-2-[6-(1,3-oxazol-5-yl)isoquinolin-3-yl]ethanone;1-[3-(1-methylpiperidin-4-yl)oxyphenyl]-2-[6-(1,3-oxazol-5-yl)isoquinolin-3-yl]ethanone;2-[6-(1,3-oxazol-5-yl)isoquinolin-3-yl]-1-(2-pyrrolidin-1-yl-4-pyridinyl)ethanone
SMILESCC1CN(c2cc(C(=O)Cc3cc4cc(-c5cnco5)ccc4cn3)ccn2)C1.CN(C)C1CN(c2cc(C(=O)Cc3cc4cc(-c5cnco5)ccc4cn3)ccn2)C1.CN(C)CCNc1cc(C(=O)Cc2cc3cc(-c4cnco4)ccc3cn2)ccn1.CN1CCC(Oc2cccc(C(=O)Cc3cc4cc(-c5cnco5)ccc4cn3)c2)CC1.CN1CCN(c2ccc(C(=O)Cc3cc4cc(-c5cnco5)ccc4cn3)cn2)CC1.CN1CCN(c2cccc(C(=O)Cc3cc4cc(-c5cnco5)ccc4cn3)c2)CC1.CNC(=O)c1ccc(C(=O)Cc2cc3cc(-c4cnco4)ccc3cn2)cn1.O=C(Cc1cc2cc(-c3cnco3)ccc2cn1)c1ccnc(N2CCCC2)c1
InChIInChI=1S/C26H25N3O3.C25H24N4O2.2C24H23N5O2.C23H23N5O2.2C23H20N4O2.C21H16N4O3/c1-29-9-7-23(8-10-29)32-24-4-2-3-18(13-24)25(30)14-22-12-21-11-19(26-16-27-17-31-26)5-6-20(21)15-28-22;1-28-7-9-29(10-8-28)23-4-2-3-18(13-23)24(30)14-22-12-21-11-19(25-16-26-17-31-25)5-6-20(21)15-27-22;1-28(2)21-13-29(14-21)24-9-16(5-6-26-24)22(30)10-20-8-19-7-17(23-12-25-15-31-23)3-4-18(19)11-27-20;1-28-6-8-29(9-7-28)24-5-4-19(14-27-24)22(30)12-21-11-20-10-17(23-15-25-16-31-23)2-3-18(20)13-26-21;1-28(2)8-7-26-23-11-16(5-6-25-23)21(29)12-20-10-19-9-17(22-14-24-15-30-22)3-4-18(19)13-27-20;1-15-12-27(13-15)23-8-16(4-5-25-23)21(28)9-20-7-19-6-17(22-11-24-14-29-22)2-3-18(19)10-26-20;28-21(16-5-6-25-23(11-16)27-7-1-2-8-27)12-20-10-19-9-17(22-14-24-15-29-22)3-4-18(19)13-26-20;1-22-21(27)18-5-4-15(10-25-18)19(26)8-17-7-16-6-13(20-11-23-12-28-20)2-3-14(16)9-24-17/h2-6,11-13,15-17,23H,7-10,14H2,1H3;2-6,11-13,15-17H,7-10,14H2,1H3;3-9,11-12,15,21H,10,13-14H2,1-2H3;2-5,10-11,13-16H,6-9,12H2,1H3;3-6,9-11,13-15H,7-8,12H2,1-2H3,(H,25,26);2-8,10-11,14-15H,9,12-13H2,1H3;3-6,9-11,13-15H,1-2,7-8,12H2;2-7,9-12H,8H2,1H3,(H,22,27)
InChIKeyICYYXDYISQMTBE-UHFFFAOYSA-N
XLogP31.01
TPSA608.02 Ų
H-Bond Donors2
H-Bond Acceptors51
Rotatable Bonds45
Heavy Atoms241
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003209.69
LogP ≤ 531.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1051

Analyze 1-[2-[3-(dimethylamino)azetidin-1-yl]-4-pyridinyl]-2-[6-(1,3-oxazol-5-yl)isoquinolin-3-yl]ethanone;1-[2-[2-(dimethylamino)ethylamino]-4-pyridinyl]-2-[6-(1,3-oxazol-5-yl)isoquinolin-3-yl]ethanone;1-[2-(3-methylazetidin-1-yl)-4-pyridinyl]-2-[6-(1,3-oxazol-5-yl)isoquinolin-3-yl]ethanone;N-methyl-5-[2-[6-(1,3-oxazol-5-yl)isoquinolin-3-yl]acetyl]pyridine-2-carboxamide;1-[3-(4-methylpiperazin-1-yl)phenyl]-2-[6-(1,3-oxazol-5-yl)isoquinolin-3-yl]ethanone;1-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-2-[6-(1,3-oxazol-5-yl)isoquinolin-3-yl]ethanone;1-[3-(1-methylpiperidin-4-yl)oxyphenyl]-2-[6-(1,3-oxazol-5-yl)isoquinolin-3-yl]ethanone;2-[6-(1,3-oxazol-5-yl)isoquinolin-3-yl]-1-(2-pyrrolidin-1-yl-4-pyridinyl)ethanone with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[2-[3-(dimethylamino)azetidin-1-yl]-4-pyridinyl]-2-[6-(1,3-oxazol-5-yl)isoquinolin-3-yl]ethanone;1-[2-[2-(dimethylamino)ethylamino]-4-pyridinyl]-2-[6-(1,3-oxazol-5-yl)isoquinolin-3-yl]ethanone;1-[2-(3-methylazetidin-1-yl)-4-pyridinyl]-2-[6-(1,3-oxazol-5-yl)isoquinolin-3-yl]ethanone;N-methyl-5-[2-[6-(1,3-oxazol-5-yl)isoquinolin-3-yl]acetyl]pyridine-2-carboxamide;1-[3-(4-methylpiperazin-1-yl)phenyl]-2-[6-(1,3-oxazol-5-yl)isoquinolin-3-yl]ethanone;1-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-2-[6-(1,3-oxazol-5-yl)isoquinolin-3-yl]ethanone;1-[3-(1-methylpiperidin-4-yl)oxyphenyl]-2-[6-(1,3-oxazol-5-yl)isoquinolin-3-yl]ethanone;2-[6-(1,3-oxazol-5-yl)isoquinolin-3-yl]-1-(2-pyrrolidin-1-yl-4-pyridinyl)ethanone?
The IUPAC name of 1-[2-[3-(dimethylamino)azetidin-1-yl]-4-pyridinyl]-2-[6-(1,3-oxazol-5-yl)isoquinolin-3-yl]ethanone;1-[2-[2-(dimethylamino)ethylamino]-4-pyridinyl]-2-[6-(1,3-oxazol-5-yl)isoquinolin-3-yl]ethanone;1-[2-(3-methylazetidin-1-yl)-4-pyridinyl]-2-[6-(1,3-oxazol-5-yl)isoquinolin-3-yl]ethanone;N-methyl-5-[2-[6-(1,3-oxazol-5-yl)isoquinolin-3-yl]acetyl]pyridine-2-carboxamide;1-[3-(4-methylpiperazin-1-yl)phenyl]-2-[6-(1,3-oxazol-5-yl)isoquinolin-3-yl]ethanone;1-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-2-[6-(1,3-oxazol-5-yl)isoquinolin-3-yl]ethanone;1-[3-(1-methylpiperidin-4-yl)oxyphenyl]-2-[6-(1,3-oxazol-5-yl)isoquinolin-3-yl]ethanone;2-[6-(1,3-oxazol-5-yl)isoquinolin-3-yl]-1-(2-pyrrolidin-1-yl-4-pyridinyl)ethanone (CID 158662846) is 1-[2-[3-(dimethylamino)azetidin-1-yl]-4-pyridinyl]-2-[6-(1,3-oxazol-5-yl)isoquinolin-3-yl]ethanone;1-[2-[2-(dimethylamino)ethylamino]-4-pyridinyl]-2-[6-(1,3-oxazol-5-yl)isoquinolin-3-yl]ethanone;1-[2-(3-methylazetidin-1-yl)-4-pyridinyl]-2-[6-(1,3-oxazol-5-yl)isoquinolin-3-yl]ethanone;N-methyl-5-[2-[6-(1,3-oxazol-5-yl)isoquinolin-3-yl]acetyl]pyridine-2-carboxamide;1-[3-(4-methylpiperazin-1-yl)phenyl]-2-[6-(1,3-oxazol-5-yl)isoquinolin-3-yl]ethanone;1-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-2-[6-(1,3-oxazol-5-yl)isoquinolin-3-yl]ethanone;1-[3-(1-methylpiperidin-4-yl)oxyphenyl]-2-[6-(1,3-oxazol-5-yl)isoquinolin-3-yl]ethanone;2-[6-(1,3-oxazol-5-yl)isoquinolin-3-yl]-1-(2-pyrrolidin-1-yl-4-pyridinyl)ethanone.
What is the SMILES notation for 1-[2-[3-(dimethylamino)azetidin-1-yl]-4-pyridinyl]-2-[6-(1,3-oxazol-5-yl)isoquinolin-3-yl]ethanone;1-[2-[2-(dimethylamino)ethylamino]-4-pyridinyl]-2-[6-(1,3-oxazol-5-yl)isoquinolin-3-yl]ethanone;1-[2-(3-methylazetidin-1-yl)-4-pyridinyl]-2-[6-(1,3-oxazol-5-yl)isoquinolin-3-yl]ethanone;N-methyl-5-[2-[6-(1,3-oxazol-5-yl)isoquinolin-3-yl]acetyl]pyridine-2-carboxamide;1-[3-(4-methylpiperazin-1-yl)phenyl]-2-[6-(1,3-oxazol-5-yl)isoquinolin-3-yl]ethanone;1-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-2-[6-(1,3-oxazol-5-yl)isoquinolin-3-yl]ethanone;1-[3-(1-methylpiperidin-4-yl)oxyphenyl]-2-[6-(1,3-oxazol-5-yl)isoquinolin-3-yl]ethanone;2-[6-(1,3-oxazol-5-yl)isoquinolin-3-yl]-1-(2-pyrrolidin-1-yl-4-pyridinyl)ethanone?
The canonical SMILES for 1-[2-[3-(dimethylamino)azetidin-1-yl]-4-pyridinyl]-2-[6-(1,3-oxazol-5-yl)isoquinolin-3-yl]ethanone;1-[2-[2-(dimethylamino)ethylamino]-4-pyridinyl]-2-[6-(1,3-oxazol-5-yl)isoquinolin-3-yl]ethanone;1-[2-(3-methylazetidin-1-yl)-4-pyridinyl]-2-[6-(1,3-oxazol-5-yl)isoquinolin-3-yl]ethanone;N-methyl-5-[2-[6-(1,3-oxazol-5-yl)isoquinolin-3-yl]acetyl]pyridine-2-carboxamide;1-[3-(4-methylpiperazin-1-yl)phenyl]-2-[6-(1,3-oxazol-5-yl)isoquinolin-3-yl]ethanone;1-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-2-[6-(1,3-oxazol-5-yl)isoquinolin-3-yl]ethanone;1-[3-(1-methylpiperidin-4-yl)oxyphenyl]-2-[6-(1,3-oxazol-5-yl)isoquinolin-3-yl]ethanone;2-[6-(1,3-oxazol-5-yl)isoquinolin-3-yl]-1-(2-pyrrolidin-1-yl-4-pyridinyl)ethanone is CC1CN(c2cc(C(=O)Cc3cc4cc(-c5cnco5)ccc4cn3)ccn2)C1.CN(C)C1CN(c2cc(C(=O)Cc3cc4cc(-c5cnco5)ccc4cn3)ccn2)C1.CN(C)CCNc1cc(C(=O)Cc2cc3cc(-c4cnco4)ccc3cn2)ccn1.CN1CCC(Oc2cccc(C(=O)Cc3cc4cc(-c5cnco5)ccc4cn3)c2)CC1.CN1CCN(c2ccc(C(=O)Cc3cc4cc(-c5cnco5)ccc4cn3)cn2)CC1.CN1CCN(c2cccc(C(=O)Cc3cc4cc(-c5cnco5)ccc4cn3)c2)CC1.CNC(=O)c1ccc(C(=O)Cc2cc3cc(-c4cnco4)ccc3cn2)cn1.O=C(Cc1cc2cc(-c3cnco3)ccc2cn1)c1ccnc(N2CCCC2)c1.
What is the InChIKey of 1-[2-[3-(dimethylamino)azetidin-1-yl]-4-pyridinyl]-2-[6-(1,3-oxazol-5-yl)isoquinolin-3-yl]ethanone;1-[2-[2-(dimethylamino)ethylamino]-4-pyridinyl]-2-[6-(1,3-oxazol-5-yl)isoquinolin-3-yl]ethanone;1-[2-(3-methylazetidin-1-yl)-4-pyridinyl]-2-[6-(1,3-oxazol-5-yl)isoquinolin-3-yl]ethanone;N-methyl-5-[2-[6-(1,3-oxazol-5-yl)isoquinolin-3-yl]acetyl]pyridine-2-carboxamide;1-[3-(4-methylpiperazin-1-yl)phenyl]-2-[6-(1,3-oxazol-5-yl)isoquinolin-3-yl]ethanone;1-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-2-[6-(1,3-oxazol-5-yl)isoquinolin-3-yl]ethanone;1-[3-(1-methylpiperidin-4-yl)oxyphenyl]-2-[6-(1,3-oxazol-5-yl)isoquinolin-3-yl]ethanone;2-[6-(1,3-oxazol-5-yl)isoquinolin-3-yl]-1-(2-pyrrolidin-1-yl-4-pyridinyl)ethanone?
The InChIKey is ICYYXDYISQMTBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N3O3.C25H24N4O2.2C24H23N5O2.C23H23N5O2.2C23H20N4O2.C21H16N4O3/c1-29-9-7-23(8-10-29)32-24-4-2-3-18(13-24)25(30)14-22-12-21-11-19(26-16-27-17-31-26)5-6-20(21)15-28-22;1-28-7-9-29(10-8-28)23-4-2-3-18(13-23)24(30)14-22-12-21-11-19(25-16-26-17-31-25)5-6-20(21)15-27-22;1-28(2)21-13-29(14-21)24-9-16(5-6-26-24)22(30)10-20-8-19-7-17(23-12-25-15-31-23)3-4-18(19)11-27-20;1-28-6-8-29(9-7-28)24-5-4-19(14-27-24)22(30)12-21-11-20-10-17(23-15-25-16-31-23)2-3-18(20)13-26-21;1-28(2)8-7-26-23-11-16(5-6-25-23)21(29)12-20-10-19-9-17(22-14-24-15-30-22)3-4-18(19)13-27-20;1-15-12-27(13-15)23-8-16(4-5-25-23)21(28)9-20-7-19-6-17(22-11-24-14-29-22)2-3-18(19)10-26-20;28-21(16-5-6-25-23(11-16)27-7-1-2-8-27)12-20-10-19-9-17(22-14-24-15-29-22)3-4-18(19)13-26-20;1-22-21(27)18-5-4-15(10-25-18)19(26)8-17-7-16-6-13(20-11-23-12-28-20)2-3-14(16)9-24-17/h2-6,11-13,15-17,23H,7-10,14H2,1H3;2-6,11-13,15-17H,7-10,14H2,1H3;3-9,11-12,15,21H,10,13-14H2,1-2H3;2-5,10-11,13-16H,6-9,12H2,1H3;3-6,9-11,13-15H,7-8,12H2,1-2H3,(H,25,26);2-8,10-11,14-15H,9,12-13H2,1H3;3-6,9-11,13-15H,1-2,7-8,12H2;2-7,9-12H,8H2,1H3,(H,22,27).
What are the key properties of 1-[2-[3-(dimethylamino)azetidin-1-yl]-4-pyridinyl]-2-[6-(1,3-oxazol-5-yl)isoquinolin-3-yl]ethanone;1-[2-[2-(dimethylamino)ethylamino]-4-pyridinyl]-2-[6-(1,3-oxazol-5-yl)isoquinolin-3-yl]ethanone;1-[2-(3-methylazetidin-1-yl)-4-pyridinyl]-2-[6-(1,3-oxazol-5-yl)isoquinolin-3-yl]ethanone;N-methyl-5-[2-[6-(1,3-oxazol-5-yl)isoquinolin-3-yl]acetyl]pyridine-2-carboxamide;1-[3-(4-methylpiperazin-1-yl)phenyl]-2-[6-(1,3-oxazol-5-yl)isoquinolin-3-yl]ethanone;1-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-2-[6-(1,3-oxazol-5-yl)isoquinolin-3-yl]ethanone;1-[3-(1-methylpiperidin-4-yl)oxyphenyl]-2-[6-(1,3-oxazol-5-yl)isoquinolin-3-yl]ethanone;2-[6-(1,3-oxazol-5-yl)isoquinolin-3-yl]-1-(2-pyrrolidin-1-yl-4-pyridinyl)ethanone?
1-[2-[3-(dimethylamino)azetidin-1-yl]-4-pyridinyl]-2-[6-(1,3-oxazol-5-yl)isoquinolin-3-yl]ethanone;1-[2-[2-(dimethylamino)ethylamino]-4-pyridinyl]-2-[6-(1,3-oxazol-5-yl)isoquinolin-3-yl]ethanone;1-[2-(3-methylazetidin-1-yl)-4-pyridinyl]-2-[6-(1,3-oxazol-5-yl)isoquinolin-3-yl]ethanone;N-methyl-5-[2-[6-(1,3-oxazol-5-yl)isoquinolin-3-yl]acetyl]pyridine-2-carboxamide;1-[3-(4-methylpiperazin-1-yl)phenyl]-2-[6-(1,3-oxazol-5-yl)isoquinolin-3-yl]ethanone;1-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-2-[6-(1,3-oxazol-5-yl)isoquinolin-3-yl]ethanone;1-[3-(1-methylpiperidin-4-yl)oxyphenyl]-2-[6-(1,3-oxazol-5-yl)isoquinolin-3-yl]ethanone;2-[6-(1,3-oxazol-5-yl)isoquinolin-3-yl]-1-(2-pyrrolidin-1-yl-4-pyridinyl)ethanone has a molecular weight of 3209.69 g/mol, XLogP of 31.01, 45 rotatable bonds, 2 hydrogen bond donors, and 51 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[3-(dimethylamino)azetidin-1-yl]-4-pyridinyl]-2-[6-(1,3-oxazol-5-yl)isoquinolin-3-yl]ethanone;1-[2-[2-(dimethylamino)ethylamino]-4-pyridinyl]-2-[6-(1,3-oxazol-5-yl)isoquinolin-3-yl]ethanone;1-[2-(3-methylazetidin-1-yl)-4-pyridinyl]-2-[6-(1,3-oxazol-5-yl)isoquinolin-3-yl]ethanone;N-methyl-5-[2-[6-(1,3-oxazol-5-yl)isoquinolin-3-yl]acetyl]pyridine-2-carboxamide;1-[3-(4-methylpiperazin-1-yl)phenyl]-2-[6-(1,3-oxazol-5-yl)isoquinolin-3-yl]ethanone;1-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-2-[6-(1,3-oxazol-5-yl)isoquinolin-3-yl]ethanone;1-[3-(1-methylpiperidin-4-yl)oxyphenyl]-2-[6-(1,3-oxazol-5-yl)isoquinolin-3-yl]ethanone;2-[6-(1,3-oxazol-5-yl)isoquinolin-3-yl]-1-(2-pyrrolidin-1-yl-4-pyridinyl)ethanone is sourced from PubChem (CID 158662846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).