3-[acetyl-[(1-methylpiperidin-4-yl)methyl]amino]-N-[(1-aminoisoquinolin-6-yl)methyl]-5-chloro-4-methylthiophene-2-carboxamide;3-[acetyl-[(1-methylpiperidin-4-yl)methyl]amino]-N-[(1-aminoisoquinolin-6-yl)methyl]-5-methylthiophene-2-carboxamide;N-[2-[(1-aminoisoquinolin-6-yl)methylcarbamoyl]-4-methylthiophen-3-yl]-1-methylpiperidine-4-carboxamide;N-[(1-aminoisoquinolin-6-yl)methyl]-5-chloro-4-methyl-3-[(1-methylpiperidin-4-yl)methylamino]thiophene-2-carboxamide;N-[(1-aminoisoquinolin-6-yl)methyl]-5-methyl-3-[(1-methylpiperidin-4-yl)methoxy]thiophene-2-carboxamide;N-[(1-aminoisoquinolin-6-yl)methyl]-5-methyl-3-[(1-methylpiperidin-4-yl)methylamino]thiophene-2-carboxamide

C142H173Cl2N29O10S6 — CID 167557910

IUPAC3-[acetyl-[(1-methylpiperidin-4-yl)methyl]amino]-N-[(1-aminoisoquinolin-6-yl)methyl]-5-chloro-4-methylthiophene-2-carboxamide;3-[acetyl-[(1-methylpiperidin-4-yl)methyl]amino]-N-[(1-aminoisoquinolin-6-yl)methyl]-5-methylthiophene-2-carboxamide;N-[2-[(1-aminoisoquinolin-6-yl)methylcarbamoyl]-4-methylthiophen-3-yl]-1-methylpiperidine-4-carboxamide;N-[(1-aminoisoquinolin-6-yl)methyl]-5-chloro-4-methyl-3-[(1-methylpiperidin-4-yl)methylamino]thiophene-2-carboxamide;N-[(1-aminoisoquinolin-6-yl)methyl]-5-methyl-3-[(1-methylpiperidin-4-yl)methoxy]thiophene-2-carboxamide;N-[(1-aminoisoquinolin-6-yl)methyl]-5-methyl-3-[(1-methylpiperidin-4-yl)methylamino]thiophene-2-carboxamide
SMILESCC(=O)N(CC1CCN(C)CC1)c1c(C(=O)NCc2ccc3c(N)nccc3c2)sc(Cl)c1C.CC(=O)N(CC1CCN(C)CC1)c1cc(C)sc1C(=O)NCc1ccc2c(N)nccc2c1.Cc1c(Cl)sc(C(=O)NCc2ccc3c(N)nccc3c2)c1NCC1CCN(C)CC1.Cc1cc(NCC2CCN(C)CC2)c(C(=O)NCc2ccc3c(N)nccc3c2)s1.Cc1cc(OCC2CCN(C)CC2)c(C(=O)NCc2ccc3c(N)nccc3c2)s1.Cc1csc(C(=O)NCc2ccc3c(N)nccc3c2)c1NC(=O)C1CCN(C)CC1
InChIInChI=1S/C25H30ClN5O2S.C25H31N5O2S.C23H28ClN5OS.C23H27N5O2S.C23H29N5OS.C23H28N4O2S/c1-15-21(31(16(2)32)14-17-7-10-30(3)11-8-17)22(34-23(15)26)25(33)29-13-18-4-5-20-19(12-18)6-9-28-24(20)27;1-16-12-22(30(17(2)31)15-18-7-10-29(3)11-8-18)23(33-16)25(32)28-14-19-4-5-21-20(13-19)6-9-27-24(21)26;1-14-19(27-12-15-6-9-29(2)10-7-15)20(31-21(14)24)23(30)28-13-16-3-4-18-17(11-16)5-8-26-22(18)25;1-14-13-31-20(19(14)27-22(29)16-6-9-28(2)10-7-16)23(30)26-12-15-3-4-18-17(11-15)5-8-25-21(18)24;1-15-11-20(26-13-16-6-9-28(2)10-7-16)21(30-15)23(29)27-14-17-3-4-19-18(12-17)5-8-25-22(19)24;1-15-11-20(29-14-16-6-9-27(2)10-7-16)21(30-15)23(28)26-13-17-3-4-19-18(12-17)5-8-25-22(19)24/h4-6,9,12,17H,7-8,10-11,13-14H2,1-3H3,(H2,27,28)(H,29,33);4-6,9,12-13,18H,7-8,10-11,14-15H2,1-3H3,(H2,26,27)(H,28,32);3-5,8,11,15,27H,6-7,9-10,12-13H2,1-2H3,(H2,25,26)(H,28,30);3-5,8,11,13,16H,6-7,9-10,12H2,1-2H3,(H2,24,25)(H,26,30)(H,27,29);3-5,8,11-12,16,26H,6-7,9-10,13-14H2,1-2H3,(H2,24,25)(H,27,29);3-5,8,11-12,16H,6-7,9-10,13-14H2,1-2H3,(H2,24,25)(H,26,28)
InChIKeyDGHOAWYJMZBHBU-UHFFFAOYSA-N
MW2709.45 g/mol
LogP23.91
Rot. Bonds35

About 3-[acetyl-[(1-methylpiperidin-4-yl)methyl]amino]-N-[(1-aminoisoquinolin-6-yl)methyl]-5-chloro-4-methylthiophene-2-carboxamide;3-[acetyl-[(1-methylpiperidin-4-yl)methyl]amino]-N-[(1-aminoisoquinolin-6-yl)methyl]-5-methylthiophene-2-carboxamide;N-[2-[(1-aminoisoquinolin-6-yl)methylcarbamoyl]-4-methylthiophen-3-yl]-1-methylpiperidine-4-carboxamide;N-[(1-aminoisoquinolin-6-yl)methyl]-5-chloro-4-methyl-3-[(1-methylpiperidin-4-yl)methylamino]thiophene-2-carboxamide;N-[(1-aminoisoquinolin-6-yl)methyl]-5-methyl-3-[(1-methylpiperidin-4-yl)methoxy]thiophene-2-carboxamide;N-[(1-aminoisoquinolin-6-yl)methyl]-5-methyl-3-[(1-methylpiperidin-4-yl)methylamino]thiophene-2-carboxamide

3-[acetyl-[(1-methylpiperidin-4-yl)methyl]amino]-N-[(1-aminoisoquinolin-6-yl)methyl]-5-chloro-4-methylthiophene-2-carboxamide;3-[acetyl-[(1-methylpiperidin-4-yl)methyl]amino]-N-[(1-aminoisoquinolin-6-yl)methyl]-5-methylthiophene-2-carboxamide;N-[2-[(1-aminoisoquinolin-6-yl)methylcarbamoyl]-4-methylthiophen-3-yl]-1-methylpiperidine-4-carboxamide;N-[(1-aminoisoquinolin-6-yl)methyl]-5-chloro-4-methyl-3-[(1-methylpiperidin-4-yl)methylamino]thiophene-2-carboxamide;N-[(1-aminoisoquinolin-6-yl)methyl]-5-methyl-3-[(1-methylpiperidin-4-yl)methoxy]thiophene-2-carboxamide;N-[(1-aminoisoquinolin-6-yl)methyl]-5-methyl-3-[(1-methylpiperidin-4-yl)methylamino]thiophene-2-carboxamide (PubChem CID 167557910) has the molecular formula C142H173Cl2N29O10S6 and a molecular weight of 2709.45 g/mol. Its IUPAC name is 3-[acetyl-[(1-methylpiperidin-4-yl)methyl]amino]-N-[(1-aminoisoquinolin-6-yl)methyl]-5-chloro-4-methylthiophene-2-carboxamide;3-[acetyl-[(1-methylpiperidin-4-yl)methyl]amino]-N-[(1-aminoisoquinolin-6-yl)methyl]-5-methylthiophene-2-carboxamide;N-[2-[(1-aminoisoquinolin-6-yl)methylcarbamoyl]-4-methylthiophen-3-yl]-1-methylpiperidine-4-carboxamide;N-[(1-aminoisoquinolin-6-yl)methyl]-5-chloro-4-methyl-3-[(1-methylpiperidin-4-yl)methylamino]thiophene-2-carboxamide;N-[(1-aminoisoquinolin-6-yl)methyl]-5-methyl-3-[(1-methylpiperidin-4-yl)methoxy]thiophene-2-carboxamide;N-[(1-aminoisoquinolin-6-yl)methyl]-5-methyl-3-[(1-methylpiperidin-4-yl)methylamino]thiophene-2-carboxamide.

Molecular Properties

Compound Name3-[acetyl-[(1-methylpiperidin-4-yl)methyl]amino]-N-[(1-aminoisoquinolin-6-yl)methyl]-5-chloro-4-methylthiophene-2-carboxamide;3-[acetyl-[(1-methylpiperidin-4-yl)methyl]amino]-N-[(1-aminoisoquinolin-6-yl)methyl]-5-methylthiophene-2-carboxamide;N-[2-[(1-aminoisoquinolin-6-yl)methylcarbamoyl]-4-methylthiophen-3-yl]-1-methylpiperidine-4-carboxamide;N-[(1-aminoisoquinolin-6-yl)methyl]-5-chloro-4-methyl-3-[(1-methylpiperidin-4-yl)methylamino]thiophene-2-carboxamide;N-[(1-aminoisoquinolin-6-yl)methyl]-5-methyl-3-[(1-methylpiperidin-4-yl)methoxy]thiophene-2-carboxamide;N-[(1-aminoisoquinolin-6-yl)methyl]-5-methyl-3-[(1-methylpiperidin-4-yl)methylamino]thiophene-2-carboxamide
PubChem CID167557910
Molecular FormulaC142H173Cl2N29O10S6
Molecular Weight2709.45 g/mol
Exact Mass2706.16
IUPAC Name3-[acetyl-[(1-methylpiperidin-4-yl)methyl]amino]-N-[(1-aminoisoquinolin-6-yl)methyl]-5-chloro-4-methylthiophene-2-carboxamide;3-[acetyl-[(1-methylpiperidin-4-yl)methyl]amino]-N-[(1-aminoisoquinolin-6-yl)methyl]-5-methylthiophene-2-carboxamide;N-[2-[(1-aminoisoquinolin-6-yl)methylcarbamoyl]-4-methylthiophen-3-yl]-1-methylpiperidine-4-carboxamide;N-[(1-aminoisoquinolin-6-yl)methyl]-5-chloro-4-methyl-3-[(1-methylpiperidin-4-yl)methylamino]thiophene-2-carboxamide;N-[(1-aminoisoquinolin-6-yl)methyl]-5-methyl-3-[(1-methylpiperidin-4-yl)methoxy]thiophene-2-carboxamide;N-[(1-aminoisoquinolin-6-yl)methyl]-5-methyl-3-[(1-methylpiperidin-4-yl)methylamino]thiophene-2-carboxamide
SMILESCC(=O)N(CC1CCN(C)CC1)c1c(C(=O)NCc2ccc3c(N)nccc3c2)sc(Cl)c1C.CC(=O)N(CC1CCN(C)CC1)c1cc(C)sc1C(=O)NCc1ccc2c(N)nccc2c1.Cc1c(Cl)sc(C(=O)NCc2ccc3c(N)nccc3c2)c1NCC1CCN(C)CC1.Cc1cc(NCC2CCN(C)CC2)c(C(=O)NCc2ccc3c(N)nccc3c2)s1.Cc1cc(OCC2CCN(C)CC2)c(C(=O)NCc2ccc3c(N)nccc3c2)s1.Cc1csc(C(=O)NCc2ccc3c(N)nccc3c2)c1NC(=O)C1CCN(C)CC1
InChIInChI=1S/C25H30ClN5O2S.C25H31N5O2S.C23H28ClN5OS.C23H27N5O2S.C23H29N5OS.C23H28N4O2S/c1-15-21(31(16(2)32)14-17-7-10-30(3)11-8-17)22(34-23(15)26)25(33)29-13-18-4-5-20-19(12-18)6-9-28-24(20)27;1-16-12-22(30(17(2)31)15-18-7-10-29(3)11-8-18)23(33-16)25(32)28-14-19-4-5-21-20(13-19)6-9-27-24(21)26;1-14-19(27-12-15-6-9-29(2)10-7-15)20(31-21(14)24)23(30)28-13-16-3-4-18-17(11-16)5-8-26-22(18)25;1-14-13-31-20(19(14)27-22(29)16-6-9-28(2)10-7-16)23(30)26-12-15-3-4-18-17(11-15)5-8-25-21(18)24;1-15-11-20(26-13-16-6-9-28(2)10-7-16)21(30-15)23(29)27-14-17-3-4-19-18(12-17)5-8-25-22(19)24;1-15-11-20(29-14-16-6-9-27(2)10-7-16)21(30-15)23(28)26-13-17-3-4-19-18(12-17)5-8-25-22(19)24/h4-6,9,12,17H,7-8,10-11,13-14H2,1-3H3,(H2,27,28)(H,29,33);4-6,9,12-13,18H,7-8,10-11,14-15H2,1-3H3,(H2,26,27)(H,28,32);3-5,8,11,15,27H,6-7,9-10,12-13H2,1-2H3,(H2,25,26)(H,28,30);3-5,8,11,13,16H,6-7,9-10,12H2,1-2H3,(H2,24,25)(H,26,30)(H,27,29);3-5,8,11-12,16,26H,6-7,9-10,13-14H2,1-2H3,(H2,24,25)(H,27,29);3-5,8,11-12,16H,6-7,9-10,13-14H2,1-2H3,(H2,24,25)(H,26,28)
InChIKeyDGHOAWYJMZBHBU-UHFFFAOYSA-N
XLogP23.91
TPSA530.51 Ų
H-Bond Donors15
H-Bond Acceptors36
Rotatable Bonds35
Heavy Atoms189
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002709.45
LogP ≤ 523.91
H-Bond Donors ≤ 515
H-Bond Acceptors ≤ 1036

Analyze 3-[acetyl-[(1-methylpiperidin-4-yl)methyl]amino]-N-[(1-aminoisoquinolin-6-yl)methyl]-5-chloro-4-methylthiophene-2-carboxamide;3-[acetyl-[(1-methylpiperidin-4-yl)methyl]amino]-N-[(1-aminoisoquinolin-6-yl)methyl]-5-methylthiophene-2-carboxamide;N-[2-[(1-aminoisoquinolin-6-yl)methylcarbamoyl]-4-methylthiophen-3-yl]-1-methylpiperidine-4-carboxamide;N-[(1-aminoisoquinolin-6-yl)methyl]-5-chloro-4-methyl-3-[(1-methylpiperidin-4-yl)methylamino]thiophene-2-carboxamide;N-[(1-aminoisoquinolin-6-yl)methyl]-5-methyl-3-[(1-methylpiperidin-4-yl)methoxy]thiophene-2-carboxamide;N-[(1-aminoisoquinolin-6-yl)methyl]-5-methyl-3-[(1-methylpiperidin-4-yl)methylamino]thiophene-2-carboxamide 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

3-(1-aminoisoquinolin-6-yl)-1-[4-chloro-5-[[[4-[2-(dimethylamino)ethoxy]phenyl]methylamino]methyl]thiophen-2-yl]propan-1-one;3-(1-aminoisoquinolin-6-yl)-1-[4-chloro-5-[[(1-pyridin-4-ylpiperidin-4-yl)methylamino]methyl]thiophen-2-yl]propan-1-one;N-[(1-aminoisoquinolin-6-yl)methyl]-4-chloro-5-[[3-(4-methylpiperazin-1-yl)propylamino]methyl]thiophene-2-carboxamide;N-[(1-aminoisoquinolin-6-yl)methyl]-4-chloro-5-[[3-(4-propan-2-ylpiperazin-1-yl)propylamino]methyl]thiophene-2-carboxamide;1-[2-[[5-[3-(1-aminoisoquinolin-6-yl)propanoyl]-3-chlorothiophen-2-yl]methylamino]ethyl]pyrrolidin-2-one
CID 167535069
3-(1-aminoisoquinolin-6-yl)-1-[4-chloro-5-[[methyl-(1-methylpiperidin-4-yl)amino]methyl]thiophen-2-yl]propan-1-one;3-(1-aminoisoquinolin-6-yl)-1-[4-chloro-5-[[methyl(oxan-4-yl)amino]methyl]thiophen-2-yl]propan-1-one;3-(1-aminoisoquinolin-6-yl)-1-[4-chloro-5-[[methyl-[(1-pyridin-4-ylpiperidin-4-yl)methyl]amino]methyl]thiophen-2-yl]propan-1-one;N-[(1-aminoisoquinolin-6-yl)methyl]-4-chloro-5-[[[3-[3-(dimethylamino)propoxy]phenyl]methyl-methylamino]methyl]thiophene-2-carboxamide
CID 167567463
3-(1-Aminoisoquinolin-6-yl)-1-[4-chloro-5-(2-morpholin-4-ylethoxymethyl)thiophen-2-yl]propan-1-one;3-(1-aminoisoquinolin-6-yl)-1-[4-chloro-5-[(3-piperazin-1-ylphenoxy)methyl]thiophen-2-yl]propan-1-one;3-(1-aminoisoquinolin-6-yl)-1-[4-chloro-5-[(4-piperazin-1-ylphenoxy)methyl]thiophen-2-yl]propan-1-one;1-[4-[[5-[3-(1-aminoisoquinolin-6-yl)propanoyl]-3-chlorothiophen-2-yl]methoxy]phenyl]-1-methyl-3-propan-2-ylurea
CID 167635314

Frequently Asked Questions

What is the IUPAC name of 3-[acetyl-[(1-methylpiperidin-4-yl)methyl]amino]-N-[(1-aminoisoquinolin-6-yl)methyl]-5-chloro-4-methylthiophene-2-carboxamide;3-[acetyl-[(1-methylpiperidin-4-yl)methyl]amino]-N-[(1-aminoisoquinolin-6-yl)methyl]-5-methylthiophene-2-carboxamide;N-[2-[(1-aminoisoquinolin-6-yl)methylcarbamoyl]-4-methylthiophen-3-yl]-1-methylpiperidine-4-carboxamide;N-[(1-aminoisoquinolin-6-yl)methyl]-5-chloro-4-methyl-3-[(1-methylpiperidin-4-yl)methylamino]thiophene-2-carboxamide;N-[(1-aminoisoquinolin-6-yl)methyl]-5-methyl-3-[(1-methylpiperidin-4-yl)methoxy]thiophene-2-carboxamide;N-[(1-aminoisoquinolin-6-yl)methyl]-5-methyl-3-[(1-methylpiperidin-4-yl)methylamino]thiophene-2-carboxamide?
The IUPAC name of 3-[acetyl-[(1-methylpiperidin-4-yl)methyl]amino]-N-[(1-aminoisoquinolin-6-yl)methyl]-5-chloro-4-methylthiophene-2-carboxamide;3-[acetyl-[(1-methylpiperidin-4-yl)methyl]amino]-N-[(1-aminoisoquinolin-6-yl)methyl]-5-methylthiophene-2-carboxamide;N-[2-[(1-aminoisoquinolin-6-yl)methylcarbamoyl]-4-methylthiophen-3-yl]-1-methylpiperidine-4-carboxamide;N-[(1-aminoisoquinolin-6-yl)methyl]-5-chloro-4-methyl-3-[(1-methylpiperidin-4-yl)methylamino]thiophene-2-carboxamide;N-[(1-aminoisoquinolin-6-yl)methyl]-5-methyl-3-[(1-methylpiperidin-4-yl)methoxy]thiophene-2-carboxamide;N-[(1-aminoisoquinolin-6-yl)methyl]-5-methyl-3-[(1-methylpiperidin-4-yl)methylamino]thiophene-2-carboxamide (CID 167557910) is 3-[acetyl-[(1-methylpiperidin-4-yl)methyl]amino]-N-[(1-aminoisoquinolin-6-yl)methyl]-5-chloro-4-methylthiophene-2-carboxamide;3-[acetyl-[(1-methylpiperidin-4-yl)methyl]amino]-N-[(1-aminoisoquinolin-6-yl)methyl]-5-methylthiophene-2-carboxamide;N-[2-[(1-aminoisoquinolin-6-yl)methylcarbamoyl]-4-methylthiophen-3-yl]-1-methylpiperidine-4-carboxamide;N-[(1-aminoisoquinolin-6-yl)methyl]-5-chloro-4-methyl-3-[(1-methylpiperidin-4-yl)methylamino]thiophene-2-carboxamide;N-[(1-aminoisoquinolin-6-yl)methyl]-5-methyl-3-[(1-methylpiperidin-4-yl)methoxy]thiophene-2-carboxamide;N-[(1-aminoisoquinolin-6-yl)methyl]-5-methyl-3-[(1-methylpiperidin-4-yl)methylamino]thiophene-2-carboxamide.
What is the SMILES notation for 3-[acetyl-[(1-methylpiperidin-4-yl)methyl]amino]-N-[(1-aminoisoquinolin-6-yl)methyl]-5-chloro-4-methylthiophene-2-carboxamide;3-[acetyl-[(1-methylpiperidin-4-yl)methyl]amino]-N-[(1-aminoisoquinolin-6-yl)methyl]-5-methylthiophene-2-carboxamide;N-[2-[(1-aminoisoquinolin-6-yl)methylcarbamoyl]-4-methylthiophen-3-yl]-1-methylpiperidine-4-carboxamide;N-[(1-aminoisoquinolin-6-yl)methyl]-5-chloro-4-methyl-3-[(1-methylpiperidin-4-yl)methylamino]thiophene-2-carboxamide;N-[(1-aminoisoquinolin-6-yl)methyl]-5-methyl-3-[(1-methylpiperidin-4-yl)methoxy]thiophene-2-carboxamide;N-[(1-aminoisoquinolin-6-yl)methyl]-5-methyl-3-[(1-methylpiperidin-4-yl)methylamino]thiophene-2-carboxamide?
The canonical SMILES for 3-[acetyl-[(1-methylpiperidin-4-yl)methyl]amino]-N-[(1-aminoisoquinolin-6-yl)methyl]-5-chloro-4-methylthiophene-2-carboxamide;3-[acetyl-[(1-methylpiperidin-4-yl)methyl]amino]-N-[(1-aminoisoquinolin-6-yl)methyl]-5-methylthiophene-2-carboxamide;N-[2-[(1-aminoisoquinolin-6-yl)methylcarbamoyl]-4-methylthiophen-3-yl]-1-methylpiperidine-4-carboxamide;N-[(1-aminoisoquinolin-6-yl)methyl]-5-chloro-4-methyl-3-[(1-methylpiperidin-4-yl)methylamino]thiophene-2-carboxamide;N-[(1-aminoisoquinolin-6-yl)methyl]-5-methyl-3-[(1-methylpiperidin-4-yl)methoxy]thiophene-2-carboxamide;N-[(1-aminoisoquinolin-6-yl)methyl]-5-methyl-3-[(1-methylpiperidin-4-yl)methylamino]thiophene-2-carboxamide is CC(=O)N(CC1CCN(C)CC1)c1c(C(=O)NCc2ccc3c(N)nccc3c2)sc(Cl)c1C.CC(=O)N(CC1CCN(C)CC1)c1cc(C)sc1C(=O)NCc1ccc2c(N)nccc2c1.Cc1c(Cl)sc(C(=O)NCc2ccc3c(N)nccc3c2)c1NCC1CCN(C)CC1.Cc1cc(NCC2CCN(C)CC2)c(C(=O)NCc2ccc3c(N)nccc3c2)s1.Cc1cc(OCC2CCN(C)CC2)c(C(=O)NCc2ccc3c(N)nccc3c2)s1.Cc1csc(C(=O)NCc2ccc3c(N)nccc3c2)c1NC(=O)C1CCN(C)CC1.
What is the InChIKey of 3-[acetyl-[(1-methylpiperidin-4-yl)methyl]amino]-N-[(1-aminoisoquinolin-6-yl)methyl]-5-chloro-4-methylthiophene-2-carboxamide;3-[acetyl-[(1-methylpiperidin-4-yl)methyl]amino]-N-[(1-aminoisoquinolin-6-yl)methyl]-5-methylthiophene-2-carboxamide;N-[2-[(1-aminoisoquinolin-6-yl)methylcarbamoyl]-4-methylthiophen-3-yl]-1-methylpiperidine-4-carboxamide;N-[(1-aminoisoquinolin-6-yl)methyl]-5-chloro-4-methyl-3-[(1-methylpiperidin-4-yl)methylamino]thiophene-2-carboxamide;N-[(1-aminoisoquinolin-6-yl)methyl]-5-methyl-3-[(1-methylpiperidin-4-yl)methoxy]thiophene-2-carboxamide;N-[(1-aminoisoquinolin-6-yl)methyl]-5-methyl-3-[(1-methylpiperidin-4-yl)methylamino]thiophene-2-carboxamide?
The InChIKey is DGHOAWYJMZBHBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30ClN5O2S.C25H31N5O2S.C23H28ClN5OS.C23H27N5O2S.C23H29N5OS.C23H28N4O2S/c1-15-21(31(16(2)32)14-17-7-10-30(3)11-8-17)22(34-23(15)26)25(33)29-13-18-4-5-20-19(12-18)6-9-28-24(20)27;1-16-12-22(30(17(2)31)15-18-7-10-29(3)11-8-18)23(33-16)25(32)28-14-19-4-5-21-20(13-19)6-9-27-24(21)26;1-14-19(27-12-15-6-9-29(2)10-7-15)20(31-21(14)24)23(30)28-13-16-3-4-18-17(11-16)5-8-26-22(18)25;1-14-13-31-20(19(14)27-22(29)16-6-9-28(2)10-7-16)23(30)26-12-15-3-4-18-17(11-15)5-8-25-21(18)24;1-15-11-20(26-13-16-6-9-28(2)10-7-16)21(30-15)23(29)27-14-17-3-4-19-18(12-17)5-8-25-22(19)24;1-15-11-20(29-14-16-6-9-27(2)10-7-16)21(30-15)23(28)26-13-17-3-4-19-18(12-17)5-8-25-22(19)24/h4-6,9,12,17H,7-8,10-11,13-14H2,1-3H3,(H2,27,28)(H,29,33);4-6,9,12-13,18H,7-8,10-11,14-15H2,1-3H3,(H2,26,27)(H,28,32);3-5,8,11,15,27H,6-7,9-10,12-13H2,1-2H3,(H2,25,26)(H,28,30);3-5,8,11,13,16H,6-7,9-10,12H2,1-2H3,(H2,24,25)(H,26,30)(H,27,29);3-5,8,11-12,16,26H,6-7,9-10,13-14H2,1-2H3,(H2,24,25)(H,27,29);3-5,8,11-12,16H,6-7,9-10,13-14H2,1-2H3,(H2,24,25)(H,26,28).
What are the key properties of 3-[acetyl-[(1-methylpiperidin-4-yl)methyl]amino]-N-[(1-aminoisoquinolin-6-yl)methyl]-5-chloro-4-methylthiophene-2-carboxamide;3-[acetyl-[(1-methylpiperidin-4-yl)methyl]amino]-N-[(1-aminoisoquinolin-6-yl)methyl]-5-methylthiophene-2-carboxamide;N-[2-[(1-aminoisoquinolin-6-yl)methylcarbamoyl]-4-methylthiophen-3-yl]-1-methylpiperidine-4-carboxamide;N-[(1-aminoisoquinolin-6-yl)methyl]-5-chloro-4-methyl-3-[(1-methylpiperidin-4-yl)methylamino]thiophene-2-carboxamide;N-[(1-aminoisoquinolin-6-yl)methyl]-5-methyl-3-[(1-methylpiperidin-4-yl)methoxy]thiophene-2-carboxamide;N-[(1-aminoisoquinolin-6-yl)methyl]-5-methyl-3-[(1-methylpiperidin-4-yl)methylamino]thiophene-2-carboxamide?
3-[acetyl-[(1-methylpiperidin-4-yl)methyl]amino]-N-[(1-aminoisoquinolin-6-yl)methyl]-5-chloro-4-methylthiophene-2-carboxamide;3-[acetyl-[(1-methylpiperidin-4-yl)methyl]amino]-N-[(1-aminoisoquinolin-6-yl)methyl]-5-methylthiophene-2-carboxamide;N-[2-[(1-aminoisoquinolin-6-yl)methylcarbamoyl]-4-methylthiophen-3-yl]-1-methylpiperidine-4-carboxamide;N-[(1-aminoisoquinolin-6-yl)methyl]-5-chloro-4-methyl-3-[(1-methylpiperidin-4-yl)methylamino]thiophene-2-carboxamide;N-[(1-aminoisoquinolin-6-yl)methyl]-5-methyl-3-[(1-methylpiperidin-4-yl)methoxy]thiophene-2-carboxamide;N-[(1-aminoisoquinolin-6-yl)methyl]-5-methyl-3-[(1-methylpiperidin-4-yl)methylamino]thiophene-2-carboxamide has a molecular weight of 2709.45 g/mol, XLogP of 23.91, 35 rotatable bonds, 15 hydrogen bond donors, and 36 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[acetyl-[(1-methylpiperidin-4-yl)methyl]amino]-N-[(1-aminoisoquinolin-6-yl)methyl]-5-chloro-4-methylthiophene-2-carboxamide;3-[acetyl-[(1-methylpiperidin-4-yl)methyl]amino]-N-[(1-aminoisoquinolin-6-yl)methyl]-5-methylthiophene-2-carboxamide;N-[2-[(1-aminoisoquinolin-6-yl)methylcarbamoyl]-4-methylthiophen-3-yl]-1-methylpiperidine-4-carboxamide;N-[(1-aminoisoquinolin-6-yl)methyl]-5-chloro-4-methyl-3-[(1-methylpiperidin-4-yl)methylamino]thiophene-2-carboxamide;N-[(1-aminoisoquinolin-6-yl)methyl]-5-methyl-3-[(1-methylpiperidin-4-yl)methoxy]thiophene-2-carboxamide;N-[(1-aminoisoquinolin-6-yl)methyl]-5-methyl-3-[(1-methylpiperidin-4-yl)methylamino]thiophene-2-carboxamide is sourced from PubChem (CID 167557910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).