1-(2-cyclobutyloxy-4-pyridinyl)-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-[2-[3-(dimethylamino)azetidin-1-yl]-4-pyridinyl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-[2-(4-ethylpiperazin-1-yl)-4-pyridinyl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-[2-[3-(methylamino)azetidin-1-yl]-4-pyridinyl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-[2-(1-methylazetidin-3-yl)oxy-4-pyridinyl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-[2-(3-methylazetidin-1-yl)-4-pyridinyl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-[2-[4-(2-methylpropyl)piperazin-1-yl]-4-pyridinyl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1-(2-piperidin-1-yl-4-pyridinyl)ethanone

C200H203N43O10 — CID 158469071

IUPAC1-(2-cyclobutyloxy-4-pyridinyl)-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-[2-[3-(dimethylamino)azetidin-1-yl]-4-pyridinyl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-[2-(4-ethylpiperazin-1-yl)-4-pyridinyl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-[2-[3-(methylamino)azetidin-1-yl]-4-pyridinyl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-[2-(1-methylazetidin-3-yl)oxy-4-pyridinyl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-[2-(3-methylazetidin-1-yl)-4-pyridinyl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-[2-[4-(2-methylpropyl)piperazin-1-yl]-4-pyridinyl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1-(2-piperidin-1-yl-4-pyridinyl)ethanone
SMILESCC(C)CN1CCN(c2cc(C(=O)Cc3cc4cc(-c5cnn(C)c5)ccc4cn3)ccn2)CC1.CC1CN(c2cc(C(=O)Cc3cc4cc(-c5cnn(C)c5)ccc4cn3)ccn2)C1.CCN1CCN(c2cc(C(=O)Cc3cc4cc(-c5cnn(C)c5)ccc4cn3)ccn2)CC1.CN(C)C1CN(c2cc(C(=O)Cc3cc4cc(-c5cnn(C)c5)ccc4cn3)ccn2)C1.CN1CC(Oc2cc(C(=O)Cc3cc4cc(-c5cnn(C)c5)ccc4cn3)ccn2)C1.CNC1CN(c2cc(C(=O)Cc3cc4cc(-c5cnn(C)c5)ccc4cn3)ccn2)C1.Cn1cc(-c2ccc3cnc(CC(=O)c4ccnc(N5CCCCC5)c4)cc3c2)cn1.Cn1cc(-c2ccc3cnc(CC(=O)c4ccnc(OC5CCC5)c4)cc3c2)cn1
InChIInChI=1S/C28H32N6O.C26H28N6O.C25H26N6O.C25H25N5O.C24H24N6O.C24H23N5O2.C24H23N5O.C24H22N4O2/c1-20(2)18-33-8-10-34(11-9-33)28-14-22(6-7-29-28)27(35)15-26-13-24-12-21(4-5-23(24)16-30-26)25-17-31-32(3)19-25;1-3-31-8-10-32(11-9-31)26-14-20(6-7-27-26)25(33)15-24-13-22-12-19(4-5-21(22)16-28-24)23-17-29-30(2)18-23;1-29(2)23-15-31(16-23)25-10-18(6-7-26-25)24(32)11-22-9-20-8-17(4-5-19(20)12-27-22)21-13-28-30(3)14-21;1-29-17-22(16-28-29)18-5-6-20-15-27-23(12-21(20)11-18)14-24(31)19-7-8-26-25(13-19)30-9-3-2-4-10-30;1-25-22-14-30(15-22)24-9-17(5-6-26-24)23(31)10-21-8-19-7-16(3-4-18(19)11-27-21)20-12-28-29(2)13-20;1-28-14-22(15-28)31-24-9-17(5-6-25-24)23(30)10-21-8-19-7-16(3-4-18(19)11-26-21)20-12-27-29(2)13-20;1-16-13-29(14-16)24-9-18(5-6-25-24)23(30)10-22-8-20-7-17(3-4-19(20)11-26-22)21-12-27-28(2)15-21;1-28-15-20(14-27-28)16-5-6-18-13-26-21(10-19(18)9-16)12-23(29)17-7-8-25-24(11-17)30-22-3-2-4-22/h4-7,12-14,16-17,19-20H,8-11,15,18H2,1-3H3;4-7,12-14,16-18H,3,8-11,15H2,1-2H3;4-10,12-14,23H,11,15-16H2,1-3H3;5-8,11-13,15-17H,2-4,9-10,14H2,1H3;3-9,11-13,22,25H,10,14-15H2,1-2H3;3-9,11-13,22H,10,14-15H2,1-2H3;3-9,11-12,15-16H,10,13-14H2,1-2H3;5-11,13-15,22H,2-4,12H2,1H3
InChIKeyHGCVVVJXBZWOEC-UHFFFAOYSA-N
MW3369.11 g/mol
LogP29.79
Rot. Bonds47

About 1-(2-cyclobutyloxy-4-pyridinyl)-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-[2-[3-(dimethylamino)azetidin-1-yl]-4-pyridinyl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-[2-(4-ethylpiperazin-1-yl)-4-pyridinyl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-[2-[3-(methylamino)azetidin-1-yl]-4-pyridinyl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-[2-(1-methylazetidin-3-yl)oxy-4-pyridinyl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-[2-(3-methylazetidin-1-yl)-4-pyridinyl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-[2-[4-(2-methylpropyl)piperazin-1-yl]-4-pyridinyl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1-(2-piperidin-1-yl-4-pyridinyl)ethanone

1-(2-cyclobutyloxy-4-pyridinyl)-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-[2-[3-(dimethylamino)azetidin-1-yl]-4-pyridinyl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-[2-(4-ethylpiperazin-1-yl)-4-pyridinyl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-[2-[3-(methylamino)azetidin-1-yl]-4-pyridinyl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-[2-(1-methylazetidin-3-yl)oxy-4-pyridinyl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-[2-(3-methylazetidin-1-yl)-4-pyridinyl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-[2-[4-(2-methylpropyl)piperazin-1-yl]-4-pyridinyl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1-(2-piperidin-1-yl-4-pyridinyl)ethanone (PubChem CID 158469071) has the molecular formula C200H203N43O10 and a molecular weight of 3369.11 g/mol. Its IUPAC name is 1-(2-cyclobutyloxy-4-pyridinyl)-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-[2-[3-(dimethylamino)azetidin-1-yl]-4-pyridinyl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-[2-(4-ethylpiperazin-1-yl)-4-pyridinyl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-[2-[3-(methylamino)azetidin-1-yl]-4-pyridinyl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-[2-(1-methylazetidin-3-yl)oxy-4-pyridinyl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-[2-(3-methylazetidin-1-yl)-4-pyridinyl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-[2-[4-(2-methylpropyl)piperazin-1-yl]-4-pyridinyl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1-(2-piperidin-1-yl-4-pyridinyl)ethanone.

Molecular Properties

Compound Name1-(2-cyclobutyloxy-4-pyridinyl)-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-[2-[3-(dimethylamino)azetidin-1-yl]-4-pyridinyl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-[2-(4-ethylpiperazin-1-yl)-4-pyridinyl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-[2-[3-(methylamino)azetidin-1-yl]-4-pyridinyl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-[2-(1-methylazetidin-3-yl)oxy-4-pyridinyl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-[2-(3-methylazetidin-1-yl)-4-pyridinyl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-[2-[4-(2-methylpropyl)piperazin-1-yl]-4-pyridinyl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1-(2-piperidin-1-yl-4-pyridinyl)ethanone
PubChem CID158469071
Molecular FormulaC200H203N43O10
Molecular Weight3369.11 g/mol
Exact Mass3366.67
IUPAC Name1-(2-cyclobutyloxy-4-pyridinyl)-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-[2-[3-(dimethylamino)azetidin-1-yl]-4-pyridinyl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-[2-(4-ethylpiperazin-1-yl)-4-pyridinyl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-[2-[3-(methylamino)azetidin-1-yl]-4-pyridinyl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-[2-(1-methylazetidin-3-yl)oxy-4-pyridinyl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-[2-(3-methylazetidin-1-yl)-4-pyridinyl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-[2-[4-(2-methylpropyl)piperazin-1-yl]-4-pyridinyl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1-(2-piperidin-1-yl-4-pyridinyl)ethanone
SMILESCC(C)CN1CCN(c2cc(C(=O)Cc3cc4cc(-c5cnn(C)c5)ccc4cn3)ccn2)CC1.CC1CN(c2cc(C(=O)Cc3cc4cc(-c5cnn(C)c5)ccc4cn3)ccn2)C1.CCN1CCN(c2cc(C(=O)Cc3cc4cc(-c5cnn(C)c5)ccc4cn3)ccn2)CC1.CN(C)C1CN(c2cc(C(=O)Cc3cc4cc(-c5cnn(C)c5)ccc4cn3)ccn2)C1.CN1CC(Oc2cc(C(=O)Cc3cc4cc(-c5cnn(C)c5)ccc4cn3)ccn2)C1.CNC1CN(c2cc(C(=O)Cc3cc4cc(-c5cnn(C)c5)ccc4cn3)ccn2)C1.Cn1cc(-c2ccc3cnc(CC(=O)c4ccnc(N5CCCCC5)c4)cc3c2)cn1.Cn1cc(-c2ccc3cnc(CC(=O)c4ccnc(OC5CCC5)c4)cc3c2)cn1
InChIInChI=1S/C28H32N6O.C26H28N6O.C25H26N6O.C25H25N5O.C24H24N6O.C24H23N5O2.C24H23N5O.C24H22N4O2/c1-20(2)18-33-8-10-34(11-9-33)28-14-22(6-7-29-28)27(35)15-26-13-24-12-21(4-5-23(24)16-30-26)25-17-31-32(3)19-25;1-3-31-8-10-32(11-9-31)26-14-20(6-7-27-26)25(33)15-24-13-22-12-19(4-5-21(22)16-28-24)23-17-29-30(2)18-23;1-29(2)23-15-31(16-23)25-10-18(6-7-26-25)24(32)11-22-9-20-8-17(4-5-19(20)12-27-22)21-13-28-30(3)14-21;1-29-17-22(16-28-29)18-5-6-20-15-27-23(12-21(20)11-18)14-24(31)19-7-8-26-25(13-19)30-9-3-2-4-10-30;1-25-22-14-30(15-22)24-9-17(5-6-26-24)23(31)10-21-8-19-7-16(3-4-18(19)11-27-21)20-12-28-29(2)13-20;1-28-14-22(15-28)31-24-9-17(5-6-25-24)23(30)10-21-8-19-7-16(3-4-18(19)11-26-21)20-12-27-29(2)13-20;1-16-13-29(14-16)24-9-18(5-6-25-24)23(30)10-22-8-20-7-17(3-4-19(20)11-26-22)21-12-27-28(2)15-21;1-28-15-20(14-27-28)16-5-6-18-13-26-21(10-19(18)9-16)12-23(29)17-7-8-25-24(11-17)30-22-3-2-4-22/h4-7,12-14,16-17,19-20H,8-11,15,18H2,1-3H3;4-7,12-14,16-18H,3,8-11,15H2,1-2H3;4-10,12-14,23H,11,15-16H2,1-3H3;5-8,11-13,15-17H,2-4,9-10,14H2,1H3;3-9,11-13,22,25H,10,14-15H2,1-2H3;3-9,11-13,22H,10,14-15H2,1-2H3;3-9,11-12,15-16H,10,13-14H2,1-2H3;5-11,13-15,22H,2-4,12H2,1H3
InChIKeyHGCVVVJXBZWOEC-UHFFFAOYSA-N
XLogP29.79
TPSA548.25 Ų
H-Bond Donors1
H-Bond Acceptors53
Rotatable Bonds47
Heavy Atoms253
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003369.11
LogP ≤ 529.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1053

Analyze 1-(2-cyclobutyloxy-4-pyridinyl)-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-[2-[3-(dimethylamino)azetidin-1-yl]-4-pyridinyl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-[2-(4-ethylpiperazin-1-yl)-4-pyridinyl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-[2-[3-(methylamino)azetidin-1-yl]-4-pyridinyl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-[2-(1-methylazetidin-3-yl)oxy-4-pyridinyl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-[2-(3-methylazetidin-1-yl)-4-pyridinyl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-[2-[4-(2-methylpropyl)piperazin-1-yl]-4-pyridinyl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1-(2-piperidin-1-yl-4-pyridinyl)ethanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-(2-cyclobutyloxy-4-pyridinyl)-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-[2-[3-(dimethylamino)azetidin-1-yl]-4-pyridinyl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-[2-(4-ethylpiperazin-1-yl)-4-pyridinyl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-[2-[3-(methylamino)azetidin-1-yl]-4-pyridinyl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-[2-(1-methylazetidin-3-yl)oxy-4-pyridinyl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-[2-(3-methylazetidin-1-yl)-4-pyridinyl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-[2-[4-(2-methylpropyl)piperazin-1-yl]-4-pyridinyl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1-(2-piperidin-1-yl-4-pyridinyl)ethanone?
The IUPAC name of 1-(2-cyclobutyloxy-4-pyridinyl)-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-[2-[3-(dimethylamino)azetidin-1-yl]-4-pyridinyl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-[2-(4-ethylpiperazin-1-yl)-4-pyridinyl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-[2-[3-(methylamino)azetidin-1-yl]-4-pyridinyl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-[2-(1-methylazetidin-3-yl)oxy-4-pyridinyl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-[2-(3-methylazetidin-1-yl)-4-pyridinyl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-[2-[4-(2-methylpropyl)piperazin-1-yl]-4-pyridinyl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1-(2-piperidin-1-yl-4-pyridinyl)ethanone (CID 158469071) is 1-(2-cyclobutyloxy-4-pyridinyl)-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-[2-[3-(dimethylamino)azetidin-1-yl]-4-pyridinyl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-[2-(4-ethylpiperazin-1-yl)-4-pyridinyl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-[2-[3-(methylamino)azetidin-1-yl]-4-pyridinyl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-[2-(1-methylazetidin-3-yl)oxy-4-pyridinyl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-[2-(3-methylazetidin-1-yl)-4-pyridinyl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-[2-[4-(2-methylpropyl)piperazin-1-yl]-4-pyridinyl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1-(2-piperidin-1-yl-4-pyridinyl)ethanone.
What is the SMILES notation for 1-(2-cyclobutyloxy-4-pyridinyl)-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-[2-[3-(dimethylamino)azetidin-1-yl]-4-pyridinyl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-[2-(4-ethylpiperazin-1-yl)-4-pyridinyl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-[2-[3-(methylamino)azetidin-1-yl]-4-pyridinyl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-[2-(1-methylazetidin-3-yl)oxy-4-pyridinyl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-[2-(3-methylazetidin-1-yl)-4-pyridinyl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-[2-[4-(2-methylpropyl)piperazin-1-yl]-4-pyridinyl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1-(2-piperidin-1-yl-4-pyridinyl)ethanone?
The canonical SMILES for 1-(2-cyclobutyloxy-4-pyridinyl)-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-[2-[3-(dimethylamino)azetidin-1-yl]-4-pyridinyl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-[2-(4-ethylpiperazin-1-yl)-4-pyridinyl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-[2-[3-(methylamino)azetidin-1-yl]-4-pyridinyl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-[2-(1-methylazetidin-3-yl)oxy-4-pyridinyl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-[2-(3-methylazetidin-1-yl)-4-pyridinyl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-[2-[4-(2-methylpropyl)piperazin-1-yl]-4-pyridinyl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1-(2-piperidin-1-yl-4-pyridinyl)ethanone is CC(C)CN1CCN(c2cc(C(=O)Cc3cc4cc(-c5cnn(C)c5)ccc4cn3)ccn2)CC1.CC1CN(c2cc(C(=O)Cc3cc4cc(-c5cnn(C)c5)ccc4cn3)ccn2)C1.CCN1CCN(c2cc(C(=O)Cc3cc4cc(-c5cnn(C)c5)ccc4cn3)ccn2)CC1.CN(C)C1CN(c2cc(C(=O)Cc3cc4cc(-c5cnn(C)c5)ccc4cn3)ccn2)C1.CN1CC(Oc2cc(C(=O)Cc3cc4cc(-c5cnn(C)c5)ccc4cn3)ccn2)C1.CNC1CN(c2cc(C(=O)Cc3cc4cc(-c5cnn(C)c5)ccc4cn3)ccn2)C1.Cn1cc(-c2ccc3cnc(CC(=O)c4ccnc(N5CCCCC5)c4)cc3c2)cn1.Cn1cc(-c2ccc3cnc(CC(=O)c4ccnc(OC5CCC5)c4)cc3c2)cn1.
What is the InChIKey of 1-(2-cyclobutyloxy-4-pyridinyl)-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-[2-[3-(dimethylamino)azetidin-1-yl]-4-pyridinyl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-[2-(4-ethylpiperazin-1-yl)-4-pyridinyl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-[2-[3-(methylamino)azetidin-1-yl]-4-pyridinyl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-[2-(1-methylazetidin-3-yl)oxy-4-pyridinyl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-[2-(3-methylazetidin-1-yl)-4-pyridinyl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-[2-[4-(2-methylpropyl)piperazin-1-yl]-4-pyridinyl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1-(2-piperidin-1-yl-4-pyridinyl)ethanone?
The InChIKey is HGCVVVJXBZWOEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32N6O.C26H28N6O.C25H26N6O.C25H25N5O.C24H24N6O.C24H23N5O2.C24H23N5O.C24H22N4O2/c1-20(2)18-33-8-10-34(11-9-33)28-14-22(6-7-29-28)27(35)15-26-13-24-12-21(4-5-23(24)16-30-26)25-17-31-32(3)19-25;1-3-31-8-10-32(11-9-31)26-14-20(6-7-27-26)25(33)15-24-13-22-12-19(4-5-21(22)16-28-24)23-17-29-30(2)18-23;1-29(2)23-15-31(16-23)25-10-18(6-7-26-25)24(32)11-22-9-20-8-17(4-5-19(20)12-27-22)21-13-28-30(3)14-21;1-29-17-22(16-28-29)18-5-6-20-15-27-23(12-21(20)11-18)14-24(31)19-7-8-26-25(13-19)30-9-3-2-4-10-30;1-25-22-14-30(15-22)24-9-17(5-6-26-24)23(31)10-21-8-19-7-16(3-4-18(19)11-27-21)20-12-28-29(2)13-20;1-28-14-22(15-28)31-24-9-17(5-6-25-24)23(30)10-21-8-19-7-16(3-4-18(19)11-26-21)20-12-27-29(2)13-20;1-16-13-29(14-16)24-9-18(5-6-25-24)23(30)10-22-8-20-7-17(3-4-19(20)11-26-22)21-12-27-28(2)15-21;1-28-15-20(14-27-28)16-5-6-18-13-26-21(10-19(18)9-16)12-23(29)17-7-8-25-24(11-17)30-22-3-2-4-22/h4-7,12-14,16-17,19-20H,8-11,15,18H2,1-3H3;4-7,12-14,16-18H,3,8-11,15H2,1-2H3;4-10,12-14,23H,11,15-16H2,1-3H3;5-8,11-13,15-17H,2-4,9-10,14H2,1H3;3-9,11-13,22,25H,10,14-15H2,1-2H3;3-9,11-13,22H,10,14-15H2,1-2H3;3-9,11-12,15-16H,10,13-14H2,1-2H3;5-11,13-15,22H,2-4,12H2,1H3.
What are the key properties of 1-(2-cyclobutyloxy-4-pyridinyl)-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-[2-[3-(dimethylamino)azetidin-1-yl]-4-pyridinyl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-[2-(4-ethylpiperazin-1-yl)-4-pyridinyl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-[2-[3-(methylamino)azetidin-1-yl]-4-pyridinyl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-[2-(1-methylazetidin-3-yl)oxy-4-pyridinyl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-[2-(3-methylazetidin-1-yl)-4-pyridinyl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-[2-[4-(2-methylpropyl)piperazin-1-yl]-4-pyridinyl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1-(2-piperidin-1-yl-4-pyridinyl)ethanone?
1-(2-cyclobutyloxy-4-pyridinyl)-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-[2-[3-(dimethylamino)azetidin-1-yl]-4-pyridinyl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-[2-(4-ethylpiperazin-1-yl)-4-pyridinyl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-[2-[3-(methylamino)azetidin-1-yl]-4-pyridinyl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-[2-(1-methylazetidin-3-yl)oxy-4-pyridinyl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-[2-(3-methylazetidin-1-yl)-4-pyridinyl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-[2-[4-(2-methylpropyl)piperazin-1-yl]-4-pyridinyl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1-(2-piperidin-1-yl-4-pyridinyl)ethanone has a molecular weight of 3369.11 g/mol, XLogP of 29.79, 47 rotatable bonds, 1 hydrogen bond donors, and 53 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cyclobutyloxy-4-pyridinyl)-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-[2-[3-(dimethylamino)azetidin-1-yl]-4-pyridinyl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-[2-(4-ethylpiperazin-1-yl)-4-pyridinyl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-[2-[3-(methylamino)azetidin-1-yl]-4-pyridinyl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-[2-(1-methylazetidin-3-yl)oxy-4-pyridinyl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-[2-(3-methylazetidin-1-yl)-4-pyridinyl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-[2-[4-(2-methylpropyl)piperazin-1-yl]-4-pyridinyl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1-(2-piperidin-1-yl-4-pyridinyl)ethanone is sourced from PubChem (CID 158469071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).