N-[6-[5-(aminomethyl)-1-methylpyrazol-4-yl]isoquinolin-3-yl]-4-cyclohexyloxybenzamide;N-[6-[5-(aminomethyl)-1-methylpyrazol-4-yl]isoquinolin-3-yl]-4-(1-fluoroethoxy)benzamide;5-N-[6-[5-(aminomethyl)-1-methylpyrazol-4-yl]isoquinolin-3-yl]-2-N-methylpyridine-2,5-dicarboxamide;N-[6-[5-(aminomethyl)-1-methylpyrazol-4-yl]isoquinolin-3-yl]-3-(pyrrolidin-1-ylmethyl)benzamide;4-[(dimethylamino)methyl]-N-[6-[1-methyl-5-(morpholin-4-ylmethyl)pyrazol-4-yl]isoquinolin-3-yl]benzamide;ethane;ethoxyethane;N-[6-[5-[(2-hydroxyethylamino)methyl]-1-methylpyrazol-4-yl]isoquinolin-3-yl]-3-(4-methylpiperazin-1-yl)benzamide;N-[6-[1-methyl-5-(morpholin-4-ylmethyl)pyrazol-4-yl]isoquinolin-3-yl]-2-(4-methylpiperazin-1-yl)-1,2-dihydropyridine-5-carboxamide;N-[6-[1-methyl-5-(morpholin-4-ylmethyl)pyrazol-4-yl]isoquinolin-3-yl]-3-(1-methylpiperidin-4-yl)oxybenzamide;N-[6-[1-methyl-5-(morpholin-4-ylmethyl)pyrazol-4-yl]isoquinolin-3-yl]-4-propan-2-yloxybenzamide

C260H314FN55O23 — CID 158199772

IUPACN-[6-[5-(aminomethyl)-1-methylpyrazol-4-yl]isoquinolin-3-yl]-4-cyclohexyloxybenzamide;N-[6-[5-(aminomethyl)-1-methylpyrazol-4-yl]isoquinolin-3-yl]-4-(1-fluoroethoxy)benzamide;5-N-[6-[5-(aminomethyl)-1-methylpyrazol-4-yl]isoquinolin-3-yl]-2-N-methylpyridine-2,5-dicarboxamide;N-[6-[5-(aminomethyl)-1-methylpyrazol-4-yl]isoquinolin-3-yl]-3-(pyrrolidin-1-ylmethyl)benzamide;4-[(dimethylamino)methyl]-N-[6-[1-methyl-5-(morpholin-4-ylmethyl)pyrazol-4-yl]isoquinolin-3-yl]benzamide;ethane;ethoxyethane;N-[6-[5-[(2-hydroxyethylamino)methyl]-1-methylpyrazol-4-yl]isoquinolin-3-yl]-3-(4-methylpiperazin-1-yl)benzamide;N-[6-[1-methyl-5-(morpholin-4-ylmethyl)pyrazol-4-yl]isoquinolin-3-yl]-2-(4-methylpiperazin-1-yl)-1,2-dihydropyridine-5-carboxamide;N-[6-[1-methyl-5-(morpholin-4-ylmethyl)pyrazol-4-yl]isoquinolin-3-yl]-3-(1-methylpiperidin-4-yl)oxybenzamide;N-[6-[1-methyl-5-(morpholin-4-ylmethyl)pyrazol-4-yl]isoquinolin-3-yl]-4-propan-2-yloxybenzamide
SMILESCC.CC(C)Oc1ccc(C(=O)Nc2cc3cc(-c4cnn(C)c4CN4CCOCC4)ccc3cn2)cc1.CC(F)Oc1ccc(C(=O)Nc2cc3cc(-c4cnn(C)c4CN)ccc3cn2)cc1.CCOCC.CCOCC.CCOCC.CCOCC.CN(C)Cc1ccc(C(=O)Nc2cc3cc(-c4cnn(C)c4CN4CCOCC4)ccc3cn2)cc1.CN1CCC(Oc2cccc(C(=O)Nc3cc4cc(-c5cnn(C)c5CN5CCOCC5)ccc4cn3)c2)CC1.CN1CCN(C2C=CC(C(=O)Nc3cc4cc(-c5cnn(C)c5CN5CCOCC5)ccc4cn3)=CN2)CC1.CN1CCN(c2cccc(C(=O)Nc3cc4cc(-c5cnn(C)c5CNCCO)ccc4cn3)c2)CC1.CNC(=O)c1ccc(C(=O)Nc2cc3cc(-c4cnn(C)c4CN)ccc3cn2)cn1.Cn1ncc(-c2ccc3cnc(NC(=O)c4ccc(OC5CCCCC5)cc4)cc3c2)c1CN.Cn1ncc(-c2ccc3cnc(NC(=O)c4cccc(CN5CCCC5)c4)cc3c2)c1CN
InChIInChI=1S/C31H36N6O3.C29H36N8O2.C28H33N7O2.C28H32N6O2.C28H31N5O3.C27H29N5O2.C26H28N6O.C23H22FN5O2.C22H21N7O2.4C4H10O.C2H6/c1-35-10-8-26(9-11-35)40-27-5-3-4-23(17-27)31(38)34-30-18-25-16-22(6-7-24(25)19-32-30)28-20-33-36(2)29(28)21-37-12-14-39-15-13-37;1-34-7-9-37(10-8-34)28-6-5-23(18-31-28)29(38)33-27-16-24-15-21(3-4-22(24)17-30-27)25-19-32-35(2)26(25)20-36-11-13-39-14-12-36;1-33-9-11-35(12-10-33)24-5-3-4-21(15-24)28(37)32-27-16-23-14-20(6-7-22(23)17-30-27)25-18-31-34(2)26(25)19-29-8-13-36;1-32(2)18-20-4-6-21(7-5-20)28(35)31-27-15-24-14-22(8-9-23(24)16-29-27)25-17-30-33(3)26(25)19-34-10-12-36-13-11-34;1-19(2)36-24-8-6-20(7-9-24)28(34)31-27-15-23-14-21(4-5-22(23)16-29-27)25-17-30-32(3)26(25)18-33-10-12-35-13-11-33;1-32-25(15-28)24(17-30-32)19-7-8-20-16-29-26(14-21(20)13-19)31-27(33)18-9-11-23(12-10-18)34-22-5-3-2-4-6-22;1-31-24(14-27)23(16-29-31)19-7-8-21-15-28-25(13-22(21)12-19)30-26(33)20-6-4-5-18(11-20)17-32-9-2-3-10-32;1-14(24)31-19-7-5-15(6-8-19)23(30)28-22-10-18-9-16(3-4-17(18)12-26-22)20-13-27-29(2)21(20)11-25;1-24-22(31)18-6-5-15(11-25-18)21(30)28-20-8-16-7-13(3-4-14(16)10-26-20)17-12-27-29(2)19(17)9-23;4*1-3-5-4-2;1-2/h3-7,16-20,26H,8-15,21H2,1-2H3,(H,32,34,38);3-6,15-19,28,31H,7-14,20H2,1-2H3,(H,30,33,38);3-7,14-18,29,36H,8-13,19H2,1-2H3,(H,30,32,37);4-9,14-17H,10-13,18-19H2,1-3H3,(H,29,31,35);4-9,14-17,19H,10-13,18H2,1-3H3,(H,29,31,34);7-14,16-17,22H,2-6,15,28H2,1H3,(H,29,31,33);4-8,11-13,15-16H,2-3,9-10,14,17,27H2,1H3,(H,28,30,33);3-10,12-14H,11,25H2,1-2H3,(H,26,28,30);3-8,10-12H,9,23H2,1-2H3,(H,24,31)(H,26,28,30);4*3-4H2,1-2H3;1-2H3
InChIKeyGAUCJKUHHKIZLX-UHFFFAOYSA-N
MW4596.73 g/mol
LogP37.56
Rot. Bonds66

About N-[6-[5-(aminomethyl)-1-methylpyrazol-4-yl]isoquinolin-3-yl]-4-cyclohexyloxybenzamide;N-[6-[5-(aminomethyl)-1-methylpyrazol-4-yl]isoquinolin-3-yl]-4-(1-fluoroethoxy)benzamide;5-N-[6-[5-(aminomethyl)-1-methylpyrazol-4-yl]isoquinolin-3-yl]-2-N-methylpyridine-2,5-dicarboxamide;N-[6-[5-(aminomethyl)-1-methylpyrazol-4-yl]isoquinolin-3-yl]-3-(pyrrolidin-1-ylmethyl)benzamide;4-[(dimethylamino)methyl]-N-[6-[1-methyl-5-(morpholin-4-ylmethyl)pyrazol-4-yl]isoquinolin-3-yl]benzamide;ethane;ethoxyethane;N-[6-[5-[(2-hydroxyethylamino)methyl]-1-methylpyrazol-4-yl]isoquinolin-3-yl]-3-(4-methylpiperazin-1-yl)benzamide;N-[6-[1-methyl-5-(morpholin-4-ylmethyl)pyrazol-4-yl]isoquinolin-3-yl]-2-(4-methylpiperazin-1-yl)-1,2-dihydropyridine-5-carboxamide;N-[6-[1-methyl-5-(morpholin-4-ylmethyl)pyrazol-4-yl]isoquinolin-3-yl]-3-(1-methylpiperidin-4-yl)oxybenzamide;N-[6-[1-methyl-5-(morpholin-4-ylmethyl)pyrazol-4-yl]isoquinolin-3-yl]-4-propan-2-yloxybenzamide

N-[6-[5-(aminomethyl)-1-methylpyrazol-4-yl]isoquinolin-3-yl]-4-cyclohexyloxybenzamide;N-[6-[5-(aminomethyl)-1-methylpyrazol-4-yl]isoquinolin-3-yl]-4-(1-fluoroethoxy)benzamide;5-N-[6-[5-(aminomethyl)-1-methylpyrazol-4-yl]isoquinolin-3-yl]-2-N-methylpyridine-2,5-dicarboxamide;N-[6-[5-(aminomethyl)-1-methylpyrazol-4-yl]isoquinolin-3-yl]-3-(pyrrolidin-1-ylmethyl)benzamide;4-[(dimethylamino)methyl]-N-[6-[1-methyl-5-(morpholin-4-ylmethyl)pyrazol-4-yl]isoquinolin-3-yl]benzamide;ethane;ethoxyethane;N-[6-[5-[(2-hydroxyethylamino)methyl]-1-methylpyrazol-4-yl]isoquinolin-3-yl]-3-(4-methylpiperazin-1-yl)benzamide;N-[6-[1-methyl-5-(morpholin-4-ylmethyl)pyrazol-4-yl]isoquinolin-3-yl]-2-(4-methylpiperazin-1-yl)-1,2-dihydropyridine-5-carboxamide;N-[6-[1-methyl-5-(morpholin-4-ylmethyl)pyrazol-4-yl]isoquinolin-3-yl]-3-(1-methylpiperidin-4-yl)oxybenzamide;N-[6-[1-methyl-5-(morpholin-4-ylmethyl)pyrazol-4-yl]isoquinolin-3-yl]-4-propan-2-yloxybenzamide (PubChem CID 158199772) has the molecular formula C260H314FN55O23 and a molecular weight of 4596.73 g/mol. Its IUPAC name is N-[6-[5-(aminomethyl)-1-methylpyrazol-4-yl]isoquinolin-3-yl]-4-cyclohexyloxybenzamide;N-[6-[5-(aminomethyl)-1-methylpyrazol-4-yl]isoquinolin-3-yl]-4-(1-fluoroethoxy)benzamide;5-N-[6-[5-(aminomethyl)-1-methylpyrazol-4-yl]isoquinolin-3-yl]-2-N-methylpyridine-2,5-dicarboxamide;N-[6-[5-(aminomethyl)-1-methylpyrazol-4-yl]isoquinolin-3-yl]-3-(pyrrolidin-1-ylmethyl)benzamide;4-[(dimethylamino)methyl]-N-[6-[1-methyl-5-(morpholin-4-ylmethyl)pyrazol-4-yl]isoquinolin-3-yl]benzamide;ethane;ethoxyethane;N-[6-[5-[(2-hydroxyethylamino)methyl]-1-methylpyrazol-4-yl]isoquinolin-3-yl]-3-(4-methylpiperazin-1-yl)benzamide;N-[6-[1-methyl-5-(morpholin-4-ylmethyl)pyrazol-4-yl]isoquinolin-3-yl]-2-(4-methylpiperazin-1-yl)-1,2-dihydropyridine-5-carboxamide;N-[6-[1-methyl-5-(morpholin-4-ylmethyl)pyrazol-4-yl]isoquinolin-3-yl]-3-(1-methylpiperidin-4-yl)oxybenzamide;N-[6-[1-methyl-5-(morpholin-4-ylmethyl)pyrazol-4-yl]isoquinolin-3-yl]-4-propan-2-yloxybenzamide.

Molecular Properties

Compound NameN-[6-[5-(aminomethyl)-1-methylpyrazol-4-yl]isoquinolin-3-yl]-4-cyclohexyloxybenzamide;N-[6-[5-(aminomethyl)-1-methylpyrazol-4-yl]isoquinolin-3-yl]-4-(1-fluoroethoxy)benzamide;5-N-[6-[5-(aminomethyl)-1-methylpyrazol-4-yl]isoquinolin-3-yl]-2-N-methylpyridine-2,5-dicarboxamide;N-[6-[5-(aminomethyl)-1-methylpyrazol-4-yl]isoquinolin-3-yl]-3-(pyrrolidin-1-ylmethyl)benzamide;4-[(dimethylamino)methyl]-N-[6-[1-methyl-5-(morpholin-4-ylmethyl)pyrazol-4-yl]isoquinolin-3-yl]benzamide;ethane;ethoxyethane;N-[6-[5-[(2-hydroxyethylamino)methyl]-1-methylpyrazol-4-yl]isoquinolin-3-yl]-3-(4-methylpiperazin-1-yl)benzamide;N-[6-[1-methyl-5-(morpholin-4-ylmethyl)pyrazol-4-yl]isoquinolin-3-yl]-2-(4-methylpiperazin-1-yl)-1,2-dihydropyridine-5-carboxamide;N-[6-[1-methyl-5-(morpholin-4-ylmethyl)pyrazol-4-yl]isoquinolin-3-yl]-3-(1-methylpiperidin-4-yl)oxybenzamide;N-[6-[1-methyl-5-(morpholin-4-ylmethyl)pyrazol-4-yl]isoquinolin-3-yl]-4-propan-2-yloxybenzamide
PubChem CID158199772
Molecular FormulaC260H314FN55O23
Molecular Weight4596.73 g/mol
Exact Mass4593.51
IUPAC NameN-[6-[5-(aminomethyl)-1-methylpyrazol-4-yl]isoquinolin-3-yl]-4-cyclohexyloxybenzamide;N-[6-[5-(aminomethyl)-1-methylpyrazol-4-yl]isoquinolin-3-yl]-4-(1-fluoroethoxy)benzamide;5-N-[6-[5-(aminomethyl)-1-methylpyrazol-4-yl]isoquinolin-3-yl]-2-N-methylpyridine-2,5-dicarboxamide;N-[6-[5-(aminomethyl)-1-methylpyrazol-4-yl]isoquinolin-3-yl]-3-(pyrrolidin-1-ylmethyl)benzamide;4-[(dimethylamino)methyl]-N-[6-[1-methyl-5-(morpholin-4-ylmethyl)pyrazol-4-yl]isoquinolin-3-yl]benzamide;ethane;ethoxyethane;N-[6-[5-[(2-hydroxyethylamino)methyl]-1-methylpyrazol-4-yl]isoquinolin-3-yl]-3-(4-methylpiperazin-1-yl)benzamide;N-[6-[1-methyl-5-(morpholin-4-ylmethyl)pyrazol-4-yl]isoquinolin-3-yl]-2-(4-methylpiperazin-1-yl)-1,2-dihydropyridine-5-carboxamide;N-[6-[1-methyl-5-(morpholin-4-ylmethyl)pyrazol-4-yl]isoquinolin-3-yl]-3-(1-methylpiperidin-4-yl)oxybenzamide;N-[6-[1-methyl-5-(morpholin-4-ylmethyl)pyrazol-4-yl]isoquinolin-3-yl]-4-propan-2-yloxybenzamide
SMILESCC.CC(C)Oc1ccc(C(=O)Nc2cc3cc(-c4cnn(C)c4CN4CCOCC4)ccc3cn2)cc1.CC(F)Oc1ccc(C(=O)Nc2cc3cc(-c4cnn(C)c4CN)ccc3cn2)cc1.CCOCC.CCOCC.CCOCC.CCOCC.CN(C)Cc1ccc(C(=O)Nc2cc3cc(-c4cnn(C)c4CN4CCOCC4)ccc3cn2)cc1.CN1CCC(Oc2cccc(C(=O)Nc3cc4cc(-c5cnn(C)c5CN5CCOCC5)ccc4cn3)c2)CC1.CN1CCN(C2C=CC(C(=O)Nc3cc4cc(-c5cnn(C)c5CN5CCOCC5)ccc4cn3)=CN2)CC1.CN1CCN(c2cccc(C(=O)Nc3cc4cc(-c5cnn(C)c5CNCCO)ccc4cn3)c2)CC1.CNC(=O)c1ccc(C(=O)Nc2cc3cc(-c4cnn(C)c4CN)ccc3cn2)cn1.Cn1ncc(-c2ccc3cnc(NC(=O)c4ccc(OC5CCCCC5)cc4)cc3c2)c1CN.Cn1ncc(-c2ccc3cnc(NC(=O)c4cccc(CN5CCCC5)c4)cc3c2)c1CN
InChIInChI=1S/C31H36N6O3.C29H36N8O2.C28H33N7O2.C28H32N6O2.C28H31N5O3.C27H29N5O2.C26H28N6O.C23H22FN5O2.C22H21N7O2.4C4H10O.C2H6/c1-35-10-8-26(9-11-35)40-27-5-3-4-23(17-27)31(38)34-30-18-25-16-22(6-7-24(25)19-32-30)28-20-33-36(2)29(28)21-37-12-14-39-15-13-37;1-34-7-9-37(10-8-34)28-6-5-23(18-31-28)29(38)33-27-16-24-15-21(3-4-22(24)17-30-27)25-19-32-35(2)26(25)20-36-11-13-39-14-12-36;1-33-9-11-35(12-10-33)24-5-3-4-21(15-24)28(37)32-27-16-23-14-20(6-7-22(23)17-30-27)25-18-31-34(2)26(25)19-29-8-13-36;1-32(2)18-20-4-6-21(7-5-20)28(35)31-27-15-24-14-22(8-9-23(24)16-29-27)25-17-30-33(3)26(25)19-34-10-12-36-13-11-34;1-19(2)36-24-8-6-20(7-9-24)28(34)31-27-15-23-14-21(4-5-22(23)16-29-27)25-17-30-32(3)26(25)18-33-10-12-35-13-11-33;1-32-25(15-28)24(17-30-32)19-7-8-20-16-29-26(14-21(20)13-19)31-27(33)18-9-11-23(12-10-18)34-22-5-3-2-4-6-22;1-31-24(14-27)23(16-29-31)19-7-8-21-15-28-25(13-22(21)12-19)30-26(33)20-6-4-5-18(11-20)17-32-9-2-3-10-32;1-14(24)31-19-7-5-15(6-8-19)23(30)28-22-10-18-9-16(3-4-17(18)12-26-22)20-13-27-29(2)21(20)11-25;1-24-22(31)18-6-5-15(11-25-18)21(30)28-20-8-16-7-13(3-4-14(16)10-26-20)17-12-27-29(2)19(17)9-23;4*1-3-5-4-2;1-2/h3-7,16-20,26H,8-15,21H2,1-2H3,(H,32,34,38);3-6,15-19,28,31H,7-14,20H2,1-2H3,(H,30,33,38);3-7,14-18,29,36H,8-13,19H2,1-2H3,(H,30,32,37);4-9,14-17H,10-13,18-19H2,1-3H3,(H,29,31,35);4-9,14-17,19H,10-13,18H2,1-3H3,(H,29,31,34);7-14,16-17,22H,2-6,15,28H2,1H3,(H,29,31,33);4-8,11-13,15-16H,2-3,9-10,14,17,27H2,1H3,(H,28,30,33);3-10,12-14H,11,25H2,1-2H3,(H,26,28,30);3-8,10-12H,9,23H2,1-2H3,(H,24,31)(H,26,28,30);4*3-4H2,1-2H3;1-2H3
InChIKeyGAUCJKUHHKIZLX-UHFFFAOYSA-N
XLogP37.56
TPSA875.05 Ų
H-Bond Donors17
H-Bond Acceptors68
Rotatable Bonds66
Heavy Atoms339
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004596.73
LogP ≤ 537.56
H-Bond Donors ≤ 517
H-Bond Acceptors ≤ 1068

Analyze N-[6-[5-(aminomethyl)-1-methylpyrazol-4-yl]isoquinolin-3-yl]-4-cyclohexyloxybenzamide;N-[6-[5-(aminomethyl)-1-methylpyrazol-4-yl]isoquinolin-3-yl]-4-(1-fluoroethoxy)benzamide;5-N-[6-[5-(aminomethyl)-1-methylpyrazol-4-yl]isoquinolin-3-yl]-2-N-methylpyridine-2,5-dicarboxamide;N-[6-[5-(aminomethyl)-1-methylpyrazol-4-yl]isoquinolin-3-yl]-3-(pyrrolidin-1-ylmethyl)benzamide;4-[(dimethylamino)methyl]-N-[6-[1-methyl-5-(morpholin-4-ylmethyl)pyrazol-4-yl]isoquinolin-3-yl]benzamide;ethane;ethoxyethane;N-[6-[5-[(2-hydroxyethylamino)methyl]-1-methylpyrazol-4-yl]isoquinolin-3-yl]-3-(4-methylpiperazin-1-yl)benzamide;N-[6-[1-methyl-5-(morpholin-4-ylmethyl)pyrazol-4-yl]isoquinolin-3-yl]-2-(4-methylpiperazin-1-yl)-1,2-dihydropyridine-5-carboxamide;N-[6-[1-methyl-5-(morpholin-4-ylmethyl)pyrazol-4-yl]isoquinolin-3-yl]-3-(1-methylpiperidin-4-yl)oxybenzamide;N-[6-[1-methyl-5-(morpholin-4-ylmethyl)pyrazol-4-yl]isoquinolin-3-yl]-4-propan-2-yloxybenzamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[6-[5-(aminomethyl)-1-methylpyrazol-4-yl]isoquinolin-3-yl]-4-cyclohexyloxybenzamide;N-[6-[5-(aminomethyl)-1-methylpyrazol-4-yl]isoquinolin-3-yl]-4-(1-fluoroethoxy)benzamide;5-N-[6-[5-(aminomethyl)-1-methylpyrazol-4-yl]isoquinolin-3-yl]-2-N-methylpyridine-2,5-dicarboxamide;N-[6-[5-(aminomethyl)-1-methylpyrazol-4-yl]isoquinolin-3-yl]-3-(pyrrolidin-1-ylmethyl)benzamide;4-[(dimethylamino)methyl]-N-[6-[1-methyl-5-(morpholin-4-ylmethyl)pyrazol-4-yl]isoquinolin-3-yl]benzamide;ethane;ethoxyethane;N-[6-[5-[(2-hydroxyethylamino)methyl]-1-methylpyrazol-4-yl]isoquinolin-3-yl]-3-(4-methylpiperazin-1-yl)benzamide;N-[6-[1-methyl-5-(morpholin-4-ylmethyl)pyrazol-4-yl]isoquinolin-3-yl]-2-(4-methylpiperazin-1-yl)-1,2-dihydropyridine-5-carboxamide;N-[6-[1-methyl-5-(morpholin-4-ylmethyl)pyrazol-4-yl]isoquinolin-3-yl]-3-(1-methylpiperidin-4-yl)oxybenzamide;N-[6-[1-methyl-5-(morpholin-4-ylmethyl)pyrazol-4-yl]isoquinolin-3-yl]-4-propan-2-yloxybenzamide?
The IUPAC name of N-[6-[5-(aminomethyl)-1-methylpyrazol-4-yl]isoquinolin-3-yl]-4-cyclohexyloxybenzamide;N-[6-[5-(aminomethyl)-1-methylpyrazol-4-yl]isoquinolin-3-yl]-4-(1-fluoroethoxy)benzamide;5-N-[6-[5-(aminomethyl)-1-methylpyrazol-4-yl]isoquinolin-3-yl]-2-N-methylpyridine-2,5-dicarboxamide;N-[6-[5-(aminomethyl)-1-methylpyrazol-4-yl]isoquinolin-3-yl]-3-(pyrrolidin-1-ylmethyl)benzamide;4-[(dimethylamino)methyl]-N-[6-[1-methyl-5-(morpholin-4-ylmethyl)pyrazol-4-yl]isoquinolin-3-yl]benzamide;ethane;ethoxyethane;N-[6-[5-[(2-hydroxyethylamino)methyl]-1-methylpyrazol-4-yl]isoquinolin-3-yl]-3-(4-methylpiperazin-1-yl)benzamide;N-[6-[1-methyl-5-(morpholin-4-ylmethyl)pyrazol-4-yl]isoquinolin-3-yl]-2-(4-methylpiperazin-1-yl)-1,2-dihydropyridine-5-carboxamide;N-[6-[1-methyl-5-(morpholin-4-ylmethyl)pyrazol-4-yl]isoquinolin-3-yl]-3-(1-methylpiperidin-4-yl)oxybenzamide;N-[6-[1-methyl-5-(morpholin-4-ylmethyl)pyrazol-4-yl]isoquinolin-3-yl]-4-propan-2-yloxybenzamide (CID 158199772) is N-[6-[5-(aminomethyl)-1-methylpyrazol-4-yl]isoquinolin-3-yl]-4-cyclohexyloxybenzamide;N-[6-[5-(aminomethyl)-1-methylpyrazol-4-yl]isoquinolin-3-yl]-4-(1-fluoroethoxy)benzamide;5-N-[6-[5-(aminomethyl)-1-methylpyrazol-4-yl]isoquinolin-3-yl]-2-N-methylpyridine-2,5-dicarboxamide;N-[6-[5-(aminomethyl)-1-methylpyrazol-4-yl]isoquinolin-3-yl]-3-(pyrrolidin-1-ylmethyl)benzamide;4-[(dimethylamino)methyl]-N-[6-[1-methyl-5-(morpholin-4-ylmethyl)pyrazol-4-yl]isoquinolin-3-yl]benzamide;ethane;ethoxyethane;N-[6-[5-[(2-hydroxyethylamino)methyl]-1-methylpyrazol-4-yl]isoquinolin-3-yl]-3-(4-methylpiperazin-1-yl)benzamide;N-[6-[1-methyl-5-(morpholin-4-ylmethyl)pyrazol-4-yl]isoquinolin-3-yl]-2-(4-methylpiperazin-1-yl)-1,2-dihydropyridine-5-carboxamide;N-[6-[1-methyl-5-(morpholin-4-ylmethyl)pyrazol-4-yl]isoquinolin-3-yl]-3-(1-methylpiperidin-4-yl)oxybenzamide;N-[6-[1-methyl-5-(morpholin-4-ylmethyl)pyrazol-4-yl]isoquinolin-3-yl]-4-propan-2-yloxybenzamide.
What is the SMILES notation for N-[6-[5-(aminomethyl)-1-methylpyrazol-4-yl]isoquinolin-3-yl]-4-cyclohexyloxybenzamide;N-[6-[5-(aminomethyl)-1-methylpyrazol-4-yl]isoquinolin-3-yl]-4-(1-fluoroethoxy)benzamide;5-N-[6-[5-(aminomethyl)-1-methylpyrazol-4-yl]isoquinolin-3-yl]-2-N-methylpyridine-2,5-dicarboxamide;N-[6-[5-(aminomethyl)-1-methylpyrazol-4-yl]isoquinolin-3-yl]-3-(pyrrolidin-1-ylmethyl)benzamide;4-[(dimethylamino)methyl]-N-[6-[1-methyl-5-(morpholin-4-ylmethyl)pyrazol-4-yl]isoquinolin-3-yl]benzamide;ethane;ethoxyethane;N-[6-[5-[(2-hydroxyethylamino)methyl]-1-methylpyrazol-4-yl]isoquinolin-3-yl]-3-(4-methylpiperazin-1-yl)benzamide;N-[6-[1-methyl-5-(morpholin-4-ylmethyl)pyrazol-4-yl]isoquinolin-3-yl]-2-(4-methylpiperazin-1-yl)-1,2-dihydropyridine-5-carboxamide;N-[6-[1-methyl-5-(morpholin-4-ylmethyl)pyrazol-4-yl]isoquinolin-3-yl]-3-(1-methylpiperidin-4-yl)oxybenzamide;N-[6-[1-methyl-5-(morpholin-4-ylmethyl)pyrazol-4-yl]isoquinolin-3-yl]-4-propan-2-yloxybenzamide?
The canonical SMILES for N-[6-[5-(aminomethyl)-1-methylpyrazol-4-yl]isoquinolin-3-yl]-4-cyclohexyloxybenzamide;N-[6-[5-(aminomethyl)-1-methylpyrazol-4-yl]isoquinolin-3-yl]-4-(1-fluoroethoxy)benzamide;5-N-[6-[5-(aminomethyl)-1-methylpyrazol-4-yl]isoquinolin-3-yl]-2-N-methylpyridine-2,5-dicarboxamide;N-[6-[5-(aminomethyl)-1-methylpyrazol-4-yl]isoquinolin-3-yl]-3-(pyrrolidin-1-ylmethyl)benzamide;4-[(dimethylamino)methyl]-N-[6-[1-methyl-5-(morpholin-4-ylmethyl)pyrazol-4-yl]isoquinolin-3-yl]benzamide;ethane;ethoxyethane;N-[6-[5-[(2-hydroxyethylamino)methyl]-1-methylpyrazol-4-yl]isoquinolin-3-yl]-3-(4-methylpiperazin-1-yl)benzamide;N-[6-[1-methyl-5-(morpholin-4-ylmethyl)pyrazol-4-yl]isoquinolin-3-yl]-2-(4-methylpiperazin-1-yl)-1,2-dihydropyridine-5-carboxamide;N-[6-[1-methyl-5-(morpholin-4-ylmethyl)pyrazol-4-yl]isoquinolin-3-yl]-3-(1-methylpiperidin-4-yl)oxybenzamide;N-[6-[1-methyl-5-(morpholin-4-ylmethyl)pyrazol-4-yl]isoquinolin-3-yl]-4-propan-2-yloxybenzamide is CC.CC(C)Oc1ccc(C(=O)Nc2cc3cc(-c4cnn(C)c4CN4CCOCC4)ccc3cn2)cc1.CC(F)Oc1ccc(C(=O)Nc2cc3cc(-c4cnn(C)c4CN)ccc3cn2)cc1.CCOCC.CCOCC.CCOCC.CCOCC.CN(C)Cc1ccc(C(=O)Nc2cc3cc(-c4cnn(C)c4CN4CCOCC4)ccc3cn2)cc1.CN1CCC(Oc2cccc(C(=O)Nc3cc4cc(-c5cnn(C)c5CN5CCOCC5)ccc4cn3)c2)CC1.CN1CCN(C2C=CC(C(=O)Nc3cc4cc(-c5cnn(C)c5CN5CCOCC5)ccc4cn3)=CN2)CC1.CN1CCN(c2cccc(C(=O)Nc3cc4cc(-c5cnn(C)c5CNCCO)ccc4cn3)c2)CC1.CNC(=O)c1ccc(C(=O)Nc2cc3cc(-c4cnn(C)c4CN)ccc3cn2)cn1.Cn1ncc(-c2ccc3cnc(NC(=O)c4ccc(OC5CCCCC5)cc4)cc3c2)c1CN.Cn1ncc(-c2ccc3cnc(NC(=O)c4cccc(CN5CCCC5)c4)cc3c2)c1CN.
What is the InChIKey of N-[6-[5-(aminomethyl)-1-methylpyrazol-4-yl]isoquinolin-3-yl]-4-cyclohexyloxybenzamide;N-[6-[5-(aminomethyl)-1-methylpyrazol-4-yl]isoquinolin-3-yl]-4-(1-fluoroethoxy)benzamide;5-N-[6-[5-(aminomethyl)-1-methylpyrazol-4-yl]isoquinolin-3-yl]-2-N-methylpyridine-2,5-dicarboxamide;N-[6-[5-(aminomethyl)-1-methylpyrazol-4-yl]isoquinolin-3-yl]-3-(pyrrolidin-1-ylmethyl)benzamide;4-[(dimethylamino)methyl]-N-[6-[1-methyl-5-(morpholin-4-ylmethyl)pyrazol-4-yl]isoquinolin-3-yl]benzamide;ethane;ethoxyethane;N-[6-[5-[(2-hydroxyethylamino)methyl]-1-methylpyrazol-4-yl]isoquinolin-3-yl]-3-(4-methylpiperazin-1-yl)benzamide;N-[6-[1-methyl-5-(morpholin-4-ylmethyl)pyrazol-4-yl]isoquinolin-3-yl]-2-(4-methylpiperazin-1-yl)-1,2-dihydropyridine-5-carboxamide;N-[6-[1-methyl-5-(morpholin-4-ylmethyl)pyrazol-4-yl]isoquinolin-3-yl]-3-(1-methylpiperidin-4-yl)oxybenzamide;N-[6-[1-methyl-5-(morpholin-4-ylmethyl)pyrazol-4-yl]isoquinolin-3-yl]-4-propan-2-yloxybenzamide?
The InChIKey is GAUCJKUHHKIZLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H36N6O3.C29H36N8O2.C28H33N7O2.C28H32N6O2.C28H31N5O3.C27H29N5O2.C26H28N6O.C23H22FN5O2.C22H21N7O2.4C4H10O.C2H6/c1-35-10-8-26(9-11-35)40-27-5-3-4-23(17-27)31(38)34-30-18-25-16-22(6-7-24(25)19-32-30)28-20-33-36(2)29(28)21-37-12-14-39-15-13-37;1-34-7-9-37(10-8-34)28-6-5-23(18-31-28)29(38)33-27-16-24-15-21(3-4-22(24)17-30-27)25-19-32-35(2)26(25)20-36-11-13-39-14-12-36;1-33-9-11-35(12-10-33)24-5-3-4-21(15-24)28(37)32-27-16-23-14-20(6-7-22(23)17-30-27)25-18-31-34(2)26(25)19-29-8-13-36;1-32(2)18-20-4-6-21(7-5-20)28(35)31-27-15-24-14-22(8-9-23(24)16-29-27)25-17-30-33(3)26(25)19-34-10-12-36-13-11-34;1-19(2)36-24-8-6-20(7-9-24)28(34)31-27-15-23-14-21(4-5-22(23)16-29-27)25-17-30-32(3)26(25)18-33-10-12-35-13-11-33;1-32-25(15-28)24(17-30-32)19-7-8-20-16-29-26(14-21(20)13-19)31-27(33)18-9-11-23(12-10-18)34-22-5-3-2-4-6-22;1-31-24(14-27)23(16-29-31)19-7-8-21-15-28-25(13-22(21)12-19)30-26(33)20-6-4-5-18(11-20)17-32-9-2-3-10-32;1-14(24)31-19-7-5-15(6-8-19)23(30)28-22-10-18-9-16(3-4-17(18)12-26-22)20-13-27-29(2)21(20)11-25;1-24-22(31)18-6-5-15(11-25-18)21(30)28-20-8-16-7-13(3-4-14(16)10-26-20)17-12-27-29(2)19(17)9-23;4*1-3-5-4-2;1-2/h3-7,16-20,26H,8-15,21H2,1-2H3,(H,32,34,38);3-6,15-19,28,31H,7-14,20H2,1-2H3,(H,30,33,38);3-7,14-18,29,36H,8-13,19H2,1-2H3,(H,30,32,37);4-9,14-17H,10-13,18-19H2,1-3H3,(H,29,31,35);4-9,14-17,19H,10-13,18H2,1-3H3,(H,29,31,34);7-14,16-17,22H,2-6,15,28H2,1H3,(H,29,31,33);4-8,11-13,15-16H,2-3,9-10,14,17,27H2,1H3,(H,28,30,33);3-10,12-14H,11,25H2,1-2H3,(H,26,28,30);3-8,10-12H,9,23H2,1-2H3,(H,24,31)(H,26,28,30);4*3-4H2,1-2H3;1-2H3.
What are the key properties of N-[6-[5-(aminomethyl)-1-methylpyrazol-4-yl]isoquinolin-3-yl]-4-cyclohexyloxybenzamide;N-[6-[5-(aminomethyl)-1-methylpyrazol-4-yl]isoquinolin-3-yl]-4-(1-fluoroethoxy)benzamide;5-N-[6-[5-(aminomethyl)-1-methylpyrazol-4-yl]isoquinolin-3-yl]-2-N-methylpyridine-2,5-dicarboxamide;N-[6-[5-(aminomethyl)-1-methylpyrazol-4-yl]isoquinolin-3-yl]-3-(pyrrolidin-1-ylmethyl)benzamide;4-[(dimethylamino)methyl]-N-[6-[1-methyl-5-(morpholin-4-ylmethyl)pyrazol-4-yl]isoquinolin-3-yl]benzamide;ethane;ethoxyethane;N-[6-[5-[(2-hydroxyethylamino)methyl]-1-methylpyrazol-4-yl]isoquinolin-3-yl]-3-(4-methylpiperazin-1-yl)benzamide;N-[6-[1-methyl-5-(morpholin-4-ylmethyl)pyrazol-4-yl]isoquinolin-3-yl]-2-(4-methylpiperazin-1-yl)-1,2-dihydropyridine-5-carboxamide;N-[6-[1-methyl-5-(morpholin-4-ylmethyl)pyrazol-4-yl]isoquinolin-3-yl]-3-(1-methylpiperidin-4-yl)oxybenzamide;N-[6-[1-methyl-5-(morpholin-4-ylmethyl)pyrazol-4-yl]isoquinolin-3-yl]-4-propan-2-yloxybenzamide?
N-[6-[5-(aminomethyl)-1-methylpyrazol-4-yl]isoquinolin-3-yl]-4-cyclohexyloxybenzamide;N-[6-[5-(aminomethyl)-1-methylpyrazol-4-yl]isoquinolin-3-yl]-4-(1-fluoroethoxy)benzamide;5-N-[6-[5-(aminomethyl)-1-methylpyrazol-4-yl]isoquinolin-3-yl]-2-N-methylpyridine-2,5-dicarboxamide;N-[6-[5-(aminomethyl)-1-methylpyrazol-4-yl]isoquinolin-3-yl]-3-(pyrrolidin-1-ylmethyl)benzamide;4-[(dimethylamino)methyl]-N-[6-[1-methyl-5-(morpholin-4-ylmethyl)pyrazol-4-yl]isoquinolin-3-yl]benzamide;ethane;ethoxyethane;N-[6-[5-[(2-hydroxyethylamino)methyl]-1-methylpyrazol-4-yl]isoquinolin-3-yl]-3-(4-methylpiperazin-1-yl)benzamide;N-[6-[1-methyl-5-(morpholin-4-ylmethyl)pyrazol-4-yl]isoquinolin-3-yl]-2-(4-methylpiperazin-1-yl)-1,2-dihydropyridine-5-carboxamide;N-[6-[1-methyl-5-(morpholin-4-ylmethyl)pyrazol-4-yl]isoquinolin-3-yl]-3-(1-methylpiperidin-4-yl)oxybenzamide;N-[6-[1-methyl-5-(morpholin-4-ylmethyl)pyrazol-4-yl]isoquinolin-3-yl]-4-propan-2-yloxybenzamide has a molecular weight of 4596.73 g/mol, XLogP of 37.56, 66 rotatable bonds, 17 hydrogen bond donors, and 68 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[5-(aminomethyl)-1-methylpyrazol-4-yl]isoquinolin-3-yl]-4-cyclohexyloxybenzamide;N-[6-[5-(aminomethyl)-1-methylpyrazol-4-yl]isoquinolin-3-yl]-4-(1-fluoroethoxy)benzamide;5-N-[6-[5-(aminomethyl)-1-methylpyrazol-4-yl]isoquinolin-3-yl]-2-N-methylpyridine-2,5-dicarboxamide;N-[6-[5-(aminomethyl)-1-methylpyrazol-4-yl]isoquinolin-3-yl]-3-(pyrrolidin-1-ylmethyl)benzamide;4-[(dimethylamino)methyl]-N-[6-[1-methyl-5-(morpholin-4-ylmethyl)pyrazol-4-yl]isoquinolin-3-yl]benzamide;ethane;ethoxyethane;N-[6-[5-[(2-hydroxyethylamino)methyl]-1-methylpyrazol-4-yl]isoquinolin-3-yl]-3-(4-methylpiperazin-1-yl)benzamide;N-[6-[1-methyl-5-(morpholin-4-ylmethyl)pyrazol-4-yl]isoquinolin-3-yl]-2-(4-methylpiperazin-1-yl)-1,2-dihydropyridine-5-carboxamide;N-[6-[1-methyl-5-(morpholin-4-ylmethyl)pyrazol-4-yl]isoquinolin-3-yl]-3-(1-methylpiperidin-4-yl)oxybenzamide;N-[6-[1-methyl-5-(morpholin-4-ylmethyl)pyrazol-4-yl]isoquinolin-3-yl]-4-propan-2-yloxybenzamide is sourced from PubChem (CID 158199772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).