1-(2-cyclohexyloxy-4-pyridinyl)-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-(5-cyclohexyloxy-3-pyridinyl)-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-[2-(4-cyclopropylpiperazin-1-yl)-4-pyridinyl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-[6-(4-methylpiperazin-1-yl)-3-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;2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1-[2-(4-propan-2-ylpiperazin-1-yl)-4-pyridinyl]ethanone;2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1-[2-(4-propylpiperazin-1-yl)-4-pyridinyl]ethanone

C208H217N43O10 — CID 158774960

IUPAC1-(2-cyclohexyloxy-4-pyridinyl)-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-(5-cyclohexyloxy-3-pyridinyl)-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-[2-(4-cyclopropylpiperazin-1-yl)-4-pyridinyl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-[6-(4-methylpiperazin-1-yl)-3-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;2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1-[2-(4-propan-2-ylpiperazin-1-yl)-4-pyridinyl]ethanone;2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1-[2-(4-propylpiperazin-1-yl)-4-pyridinyl]ethanone
SMILESCC(C)N1CCN(c2cc(C(=O)Cc3cc4cc(-c5cnn(C)c5)ccc4cn3)ccn2)CC1.CCCN1CCN(c2cc(C(=O)Cc3cc4cc(-c5cnn(C)c5)ccc4cn3)ccn2)CC1.CN1CCN(c2cc(C(=O)Cc3cc4cc(-c5cnn(C)c5)ccc4cn3)ccn2)CC1.CN1CCN(c2ccc(C(=O)Cc3cc4cc(-c5cnn(C)c5)ccc4cn3)cn2)CC1.Cn1cc(-c2ccc3cnc(CC(=O)c4ccnc(N5CCCCC5)c4)cc3c2)cn1.Cn1cc(-c2ccc3cnc(CC(=O)c4ccnc(N5CCN(C6CC6)CC5)c4)cc3c2)cn1.Cn1cc(-c2ccc3cnc(CC(=O)c4ccnc(OC5CCCCC5)c4)cc3c2)cn1.Cn1cc(-c2ccc3cnc(CC(=O)c4cncc(OC5CCCCC5)c4)cc3c2)cn1
InChIInChI=1S/C27H28N6O.2C27H30N6O.2C26H26N4O2.2C25H26N6O.C25H25N5O/c1-31-18-23(17-30-31)19-2-3-21-16-29-24(13-22(21)12-19)15-26(34)20-6-7-28-27(14-20)33-10-8-32(9-11-33)25-4-5-25;1-19(2)32-8-10-33(11-9-32)27-14-21(6-7-28-27)26(34)15-25-13-23-12-20(4-5-22(23)16-29-25)24-17-30-31(3)18-24;1-3-8-32-9-11-33(12-10-32)27-15-21(6-7-28-27)26(34)16-25-14-23-13-20(4-5-22(23)17-29-25)24-18-30-31(2)19-24;1-30-17-22(15-29-30)18-7-8-19-14-28-23(10-20(19)9-18)12-26(31)21-11-25(16-27-13-21)32-24-5-3-2-4-6-24;1-30-17-22(16-29-30)18-7-8-20-15-28-23(12-21(20)11-18)14-25(31)19-9-10-27-26(13-19)32-24-5-3-2-4-6-24;1-29-7-9-31(10-8-29)25-13-19(5-6-26-25)24(32)14-23-12-21-11-18(3-4-20(21)15-27-23)22-16-28-30(2)17-22;1-29-7-9-31(10-8-29)25-6-5-20(15-27-25)24(32)13-23-12-21-11-18(3-4-19(21)14-26-23)22-16-28-30(2)17-22;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/h2-3,6-7,12-14,16-18,25H,4-5,8-11,15H2,1H3;4-7,12-14,16-19H,8-11,15H2,1-3H3;4-7,13-15,17-19H,3,8-12,16H2,1-2H3;7-11,13-17,24H,2-6,12H2,1H3;7-13,15-17,24H,2-6,14H2,1H3;3-6,11-13,15-17H,7-10,14H2,1-2H3;3-6,11-12,14-17H,7-10,13H2,1-2H3;5-8,11-13,15-17H,2-4,9-10,14H2,1H3
InChIKeyIQIYKGKECPZMPF-UHFFFAOYSA-N
MW3479.31 g/mol
LogP32.91
Rot. Bonds46

About 1-(2-cyclohexyloxy-4-pyridinyl)-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-(5-cyclohexyloxy-3-pyridinyl)-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-[2-(4-cyclopropylpiperazin-1-yl)-4-pyridinyl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-[6-(4-methylpiperazin-1-yl)-3-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;2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1-[2-(4-propan-2-ylpiperazin-1-yl)-4-pyridinyl]ethanone;2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1-[2-(4-propylpiperazin-1-yl)-4-pyridinyl]ethanone

1-(2-cyclohexyloxy-4-pyridinyl)-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-(5-cyclohexyloxy-3-pyridinyl)-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-[2-(4-cyclopropylpiperazin-1-yl)-4-pyridinyl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-[6-(4-methylpiperazin-1-yl)-3-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;2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1-[2-(4-propan-2-ylpiperazin-1-yl)-4-pyridinyl]ethanone;2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1-[2-(4-propylpiperazin-1-yl)-4-pyridinyl]ethanone (PubChem CID 158774960) has the molecular formula C208H217N43O10 and a molecular weight of 3479.31 g/mol. Its IUPAC name is 1-(2-cyclohexyloxy-4-pyridinyl)-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-(5-cyclohexyloxy-3-pyridinyl)-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-[2-(4-cyclopropylpiperazin-1-yl)-4-pyridinyl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-[6-(4-methylpiperazin-1-yl)-3-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;2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1-[2-(4-propan-2-ylpiperazin-1-yl)-4-pyridinyl]ethanone;2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1-[2-(4-propylpiperazin-1-yl)-4-pyridinyl]ethanone.

Molecular Properties

Compound Name1-(2-cyclohexyloxy-4-pyridinyl)-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-(5-cyclohexyloxy-3-pyridinyl)-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-[2-(4-cyclopropylpiperazin-1-yl)-4-pyridinyl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-[6-(4-methylpiperazin-1-yl)-3-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;2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1-[2-(4-propan-2-ylpiperazin-1-yl)-4-pyridinyl]ethanone;2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1-[2-(4-propylpiperazin-1-yl)-4-pyridinyl]ethanone
PubChem CID158774960
Molecular FormulaC208H217N43O10
Molecular Weight3479.31 g/mol
Exact Mass3476.78
IUPAC Name1-(2-cyclohexyloxy-4-pyridinyl)-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-(5-cyclohexyloxy-3-pyridinyl)-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-[2-(4-cyclopropylpiperazin-1-yl)-4-pyridinyl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-[6-(4-methylpiperazin-1-yl)-3-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;2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1-[2-(4-propan-2-ylpiperazin-1-yl)-4-pyridinyl]ethanone;2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1-[2-(4-propylpiperazin-1-yl)-4-pyridinyl]ethanone
SMILESCC(C)N1CCN(c2cc(C(=O)Cc3cc4cc(-c5cnn(C)c5)ccc4cn3)ccn2)CC1.CCCN1CCN(c2cc(C(=O)Cc3cc4cc(-c5cnn(C)c5)ccc4cn3)ccn2)CC1.CN1CCN(c2cc(C(=O)Cc3cc4cc(-c5cnn(C)c5)ccc4cn3)ccn2)CC1.CN1CCN(c2ccc(C(=O)Cc3cc4cc(-c5cnn(C)c5)ccc4cn3)cn2)CC1.Cn1cc(-c2ccc3cnc(CC(=O)c4ccnc(N5CCCCC5)c4)cc3c2)cn1.Cn1cc(-c2ccc3cnc(CC(=O)c4ccnc(N5CCN(C6CC6)CC5)c4)cc3c2)cn1.Cn1cc(-c2ccc3cnc(CC(=O)c4ccnc(OC5CCCCC5)c4)cc3c2)cn1.Cn1cc(-c2ccc3cnc(CC(=O)c4cncc(OC5CCCCC5)c4)cc3c2)cn1
InChIInChI=1S/C27H28N6O.2C27H30N6O.2C26H26N4O2.2C25H26N6O.C25H25N5O/c1-31-18-23(17-30-31)19-2-3-21-16-29-24(13-22(21)12-19)15-26(34)20-6-7-28-27(14-20)33-10-8-32(9-11-33)25-4-5-25;1-19(2)32-8-10-33(11-9-32)27-14-21(6-7-28-27)26(34)15-25-13-23-12-20(4-5-22(23)16-29-25)24-17-30-31(3)18-24;1-3-8-32-9-11-33(12-10-32)27-15-21(6-7-28-27)26(34)16-25-14-23-13-20(4-5-22(23)17-29-25)24-18-30-31(2)19-24;1-30-17-22(15-29-30)18-7-8-19-14-28-23(10-20(19)9-18)12-26(31)21-11-25(16-27-13-21)32-24-5-3-2-4-6-24;1-30-17-22(16-29-30)18-7-8-20-15-28-23(12-21(20)11-18)14-25(31)19-9-10-27-26(13-19)32-24-5-3-2-4-6-24;1-29-7-9-31(10-8-29)25-13-19(5-6-26-25)24(32)14-23-12-21-11-18(3-4-20(21)15-27-23)22-16-28-30(2)17-22;1-29-7-9-31(10-8-29)25-6-5-20(15-27-25)24(32)13-23-12-21-11-18(3-4-19(21)14-26-23)22-16-28-30(2)17-22;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/h2-3,6-7,12-14,16-18,25H,4-5,8-11,15H2,1H3;4-7,12-14,16-19H,8-11,15H2,1-3H3;4-7,13-15,17-19H,3,8-12,16H2,1-2H3;7-11,13-17,24H,2-6,12H2,1H3;7-13,15-17,24H,2-6,14H2,1H3;3-6,11-13,15-17H,7-10,14H2,1-2H3;3-6,11-12,14-17H,7-10,13H2,1-2H3;5-8,11-13,15-17H,2-4,9-10,14H2,1H3
InChIKeyIQIYKGKECPZMPF-UHFFFAOYSA-N
XLogP32.91
TPSA539.46 Ų
H-Bond Donors
H-Bond Acceptors53
Rotatable Bonds46
Heavy Atoms261
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003479.31
LogP ≤ 532.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1053

Analyze 1-(2-cyclohexyloxy-4-pyridinyl)-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-(5-cyclohexyloxy-3-pyridinyl)-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-[2-(4-cyclopropylpiperazin-1-yl)-4-pyridinyl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-[6-(4-methylpiperazin-1-yl)-3-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;2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1-[2-(4-propan-2-ylpiperazin-1-yl)-4-pyridinyl]ethanone;2-[6-(1-methylpyrazol-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

2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1-[2-(4-propan-2-ylpiperazin-1-yl)-4-pyridinyl]ethanone
CID 147499444
2-[6-(1-ethylpyrazol-4-yl)isoquinolin-3-yl]-1-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]ethanone
CID 157291499
2-[6-(3-methylimidazol-4-yl)isoquinolin-3-yl]-1-[2-(1-propan-2-ylpiperidin-4-yl)oxy-4-pyridinyl]ethanone
CID 149088462
1-[2-(4-methyl-1,4-diazepan-1-yl)-4-pyridinyl]-2-[6-(1-methylpyrazol-4-yl)-2,7-naphthyridin-3-yl]ethanone
CID 160774844
2-[6-(3-methylimidazol-4-yl)isoquinolin-3-yl]-1-[2-(4-propan-2-ylpiperazin-1-yl)-4-pyridinyl]ethanone
CID 147352426
1-[2-(3-aminoazetidin-1-yl)-4-pyridinyl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone
CID 153026027
1-(2-cyclohexyloxy-4-pyridinyl)-2-[6-(2,3-dimethylimidazol-4-yl)isoquinolin-3-yl]ethanone
CID 158419194
1-(2-cyclobutyloxy-4-pyridinyl)-2-[6-(1,3-oxazol-5-yl)isoquinolin-3-yl]ethanone
CID 160981198
1-[2-(4-methyl-1,4-diazepan-1-yl)-4-pyridinyl]-2-[6-(1-methylpyrazol-4-yl)cinnolin-3-yl]ethanone
CID 161061645
2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1-(4-piperidin-4-yloxyphenyl)ethanone
CID 147095405
1-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-2-[6-(1-methylpyrazol-4-yl)cinnolin-3-yl]ethanone
CID 147043069
2-[6-(1-methylpyrazol-4-yl)-2,7-naphthyridin-3-yl]-1-[2-[4-(trideuteriomethyl)piperazin-1-yl]-4-pyridinyl]ethanone
CID 149384314

Frequently Asked Questions

What is the IUPAC name of 1-(2-cyclohexyloxy-4-pyridinyl)-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-(5-cyclohexyloxy-3-pyridinyl)-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-[2-(4-cyclopropylpiperazin-1-yl)-4-pyridinyl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-[6-(4-methylpiperazin-1-yl)-3-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;2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1-[2-(4-propan-2-ylpiperazin-1-yl)-4-pyridinyl]ethanone;2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1-[2-(4-propylpiperazin-1-yl)-4-pyridinyl]ethanone?
The IUPAC name of 1-(2-cyclohexyloxy-4-pyridinyl)-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-(5-cyclohexyloxy-3-pyridinyl)-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-[2-(4-cyclopropylpiperazin-1-yl)-4-pyridinyl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-[6-(4-methylpiperazin-1-yl)-3-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;2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1-[2-(4-propan-2-ylpiperazin-1-yl)-4-pyridinyl]ethanone;2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1-[2-(4-propylpiperazin-1-yl)-4-pyridinyl]ethanone (CID 158774960) is 1-(2-cyclohexyloxy-4-pyridinyl)-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-(5-cyclohexyloxy-3-pyridinyl)-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-[2-(4-cyclopropylpiperazin-1-yl)-4-pyridinyl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-[6-(4-methylpiperazin-1-yl)-3-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;2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1-[2-(4-propan-2-ylpiperazin-1-yl)-4-pyridinyl]ethanone;2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1-[2-(4-propylpiperazin-1-yl)-4-pyridinyl]ethanone.
What is the SMILES notation for 1-(2-cyclohexyloxy-4-pyridinyl)-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-(5-cyclohexyloxy-3-pyridinyl)-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-[2-(4-cyclopropylpiperazin-1-yl)-4-pyridinyl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-[6-(4-methylpiperazin-1-yl)-3-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;2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1-[2-(4-propan-2-ylpiperazin-1-yl)-4-pyridinyl]ethanone;2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1-[2-(4-propylpiperazin-1-yl)-4-pyridinyl]ethanone?
The canonical SMILES for 1-(2-cyclohexyloxy-4-pyridinyl)-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-(5-cyclohexyloxy-3-pyridinyl)-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-[2-(4-cyclopropylpiperazin-1-yl)-4-pyridinyl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-[6-(4-methylpiperazin-1-yl)-3-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;2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1-[2-(4-propan-2-ylpiperazin-1-yl)-4-pyridinyl]ethanone;2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1-[2-(4-propylpiperazin-1-yl)-4-pyridinyl]ethanone is CC(C)N1CCN(c2cc(C(=O)Cc3cc4cc(-c5cnn(C)c5)ccc4cn3)ccn2)CC1.CCCN1CCN(c2cc(C(=O)Cc3cc4cc(-c5cnn(C)c5)ccc4cn3)ccn2)CC1.CN1CCN(c2cc(C(=O)Cc3cc4cc(-c5cnn(C)c5)ccc4cn3)ccn2)CC1.CN1CCN(c2ccc(C(=O)Cc3cc4cc(-c5cnn(C)c5)ccc4cn3)cn2)CC1.Cn1cc(-c2ccc3cnc(CC(=O)c4ccnc(N5CCCCC5)c4)cc3c2)cn1.Cn1cc(-c2ccc3cnc(CC(=O)c4ccnc(N5CCN(C6CC6)CC5)c4)cc3c2)cn1.Cn1cc(-c2ccc3cnc(CC(=O)c4ccnc(OC5CCCCC5)c4)cc3c2)cn1.Cn1cc(-c2ccc3cnc(CC(=O)c4cncc(OC5CCCCC5)c4)cc3c2)cn1.
What is the InChIKey of 1-(2-cyclohexyloxy-4-pyridinyl)-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-(5-cyclohexyloxy-3-pyridinyl)-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-[2-(4-cyclopropylpiperazin-1-yl)-4-pyridinyl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-[6-(4-methylpiperazin-1-yl)-3-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;2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1-[2-(4-propan-2-ylpiperazin-1-yl)-4-pyridinyl]ethanone;2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1-[2-(4-propylpiperazin-1-yl)-4-pyridinyl]ethanone?
The InChIKey is IQIYKGKECPZMPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28N6O.2C27H30N6O.2C26H26N4O2.2C25H26N6O.C25H25N5O/c1-31-18-23(17-30-31)19-2-3-21-16-29-24(13-22(21)12-19)15-26(34)20-6-7-28-27(14-20)33-10-8-32(9-11-33)25-4-5-25;1-19(2)32-8-10-33(11-9-32)27-14-21(6-7-28-27)26(34)15-25-13-23-12-20(4-5-22(23)16-29-25)24-17-30-31(3)18-24;1-3-8-32-9-11-33(12-10-32)27-15-21(6-7-28-27)26(34)16-25-14-23-13-20(4-5-22(23)17-29-25)24-18-30-31(2)19-24;1-30-17-22(15-29-30)18-7-8-19-14-28-23(10-20(19)9-18)12-26(31)21-11-25(16-27-13-21)32-24-5-3-2-4-6-24;1-30-17-22(16-29-30)18-7-8-20-15-28-23(12-21(20)11-18)14-25(31)19-9-10-27-26(13-19)32-24-5-3-2-4-6-24;1-29-7-9-31(10-8-29)25-13-19(5-6-26-25)24(32)14-23-12-21-11-18(3-4-20(21)15-27-23)22-16-28-30(2)17-22;1-29-7-9-31(10-8-29)25-6-5-20(15-27-25)24(32)13-23-12-21-11-18(3-4-19(21)14-26-23)22-16-28-30(2)17-22;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/h2-3,6-7,12-14,16-18,25H,4-5,8-11,15H2,1H3;4-7,12-14,16-19H,8-11,15H2,1-3H3;4-7,13-15,17-19H,3,8-12,16H2,1-2H3;7-11,13-17,24H,2-6,12H2,1H3;7-13,15-17,24H,2-6,14H2,1H3;3-6,11-13,15-17H,7-10,14H2,1-2H3;3-6,11-12,14-17H,7-10,13H2,1-2H3;5-8,11-13,15-17H,2-4,9-10,14H2,1H3.
What are the key properties of 1-(2-cyclohexyloxy-4-pyridinyl)-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-(5-cyclohexyloxy-3-pyridinyl)-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-[2-(4-cyclopropylpiperazin-1-yl)-4-pyridinyl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-[6-(4-methylpiperazin-1-yl)-3-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;2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1-[2-(4-propan-2-ylpiperazin-1-yl)-4-pyridinyl]ethanone;2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1-[2-(4-propylpiperazin-1-yl)-4-pyridinyl]ethanone?
1-(2-cyclohexyloxy-4-pyridinyl)-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-(5-cyclohexyloxy-3-pyridinyl)-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-[2-(4-cyclopropylpiperazin-1-yl)-4-pyridinyl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-[6-(4-methylpiperazin-1-yl)-3-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;2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1-[2-(4-propan-2-ylpiperazin-1-yl)-4-pyridinyl]ethanone;2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1-[2-(4-propylpiperazin-1-yl)-4-pyridinyl]ethanone has a molecular weight of 3479.31 g/mol, XLogP of 32.91, 46 rotatable bonds, 0 hydrogen bond donors, and 53 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cyclohexyloxy-4-pyridinyl)-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-(5-cyclohexyloxy-3-pyridinyl)-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-[2-(4-cyclopropylpiperazin-1-yl)-4-pyridinyl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-[6-(4-methylpiperazin-1-yl)-3-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;2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1-[2-(4-propan-2-ylpiperazin-1-yl)-4-pyridinyl]ethanone;2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1-[2-(4-propylpiperazin-1-yl)-4-pyridinyl]ethanone is sourced from PubChem (CID 158774960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).