N-[(1-aminoisoquinolin-6-yl)methyl]-4-[(1-methylpiperidin-4-yl)amino]thiophene-2-carboxamide;N-[(1-aminoisoquinolin-6-yl)methyl]-4-[2-(1-methylpiperidin-4-yl)ethyl]-1,3-thiazole-2-carboxamide;N-[(1-aminoisoquinolin-6-yl)methyl]-4-[(1-methylpiperidin-4-yl)methylamino]thiophene-2-carboxamide;4-chloro-N-[(4,6-dimethyl-1H-pyrrolo[2,3-b]pyridin-5-yl)methyl]-5-methylthiophene-2-carboxamide

C81H95ClN18O4S4 — CID 167566311

IUPACN-[(1-aminoisoquinolin-6-yl)methyl]-4-[(1-methylpiperidin-4-yl)amino]thiophene-2-carboxamide;N-[(1-aminoisoquinolin-6-yl)methyl]-4-[2-(1-methylpiperidin-4-yl)ethyl]-1,3-thiazole-2-carboxamide;N-[(1-aminoisoquinolin-6-yl)methyl]-4-[(1-methylpiperidin-4-yl)methylamino]thiophene-2-carboxamide;4-chloro-N-[(4,6-dimethyl-1H-pyrrolo[2,3-b]pyridin-5-yl)methyl]-5-methylthiophene-2-carboxamide
SMILESCN1CCC(CCc2csc(C(=O)NCc3ccc4c(N)nccc4c3)n2)CC1.CN1CCC(CNc2csc(C(=O)NCc3ccc4c(N)nccc4c3)c2)CC1.CN1CCC(Nc2csc(C(=O)NCc3ccc4c(N)nccc4c3)c2)CC1.Cc1nc2[nH]ccc2c(C)c1CNC(=O)c1cc(Cl)c(C)s1
InChIInChI=1S/2C22H27N5OS.C21H25N5OS.C16H16ClN3OS/c1-27-10-7-15(8-11-27)2-4-18-14-29-22(26-18)21(28)25-13-16-3-5-19-17(12-16)6-9-24-20(19)23;1-27-8-5-15(6-9-27)12-25-18-11-20(29-14-18)22(28)26-13-16-2-3-19-17(10-16)4-7-24-21(19)23;1-26-8-5-16(6-9-26)25-17-11-19(28-13-17)21(27)24-12-14-2-3-18-15(10-14)4-7-23-20(18)22;1-8-11-4-5-18-15(11)20-9(2)12(8)7-19-16(21)14-6-13(17)10(3)22-14/h3,5-6,9,12,14-15H,2,4,7-8,10-11,13H2,1H3,(H2,23,24)(H,25,28);2-4,7,10-11,14-15,25H,5-6,8-9,12-13H2,1H3,(H2,23,24)(H,26,28);2-4,7,10-11,13,16,25H,5-6,8-9,12H2,1H3,(H2,22,23)(H,24,27);4-6H,7H2,1-3H3,(H,18,20)(H,19,21)
InChIKeyFIGDQYKVWKSAHN-UHFFFAOYSA-N
MW1548.49 g/mol
LogP14.49
Rot. Bonds20

About N-[(1-aminoisoquinolin-6-yl)methyl]-4-[(1-methylpiperidin-4-yl)amino]thiophene-2-carboxamide;N-[(1-aminoisoquinolin-6-yl)methyl]-4-[2-(1-methylpiperidin-4-yl)ethyl]-1,3-thiazole-2-carboxamide;N-[(1-aminoisoquinolin-6-yl)methyl]-4-[(1-methylpiperidin-4-yl)methylamino]thiophene-2-carboxamide;4-chloro-N-[(4,6-dimethyl-1H-pyrrolo[2,3-b]pyridin-5-yl)methyl]-5-methylthiophene-2-carboxamide

N-[(1-aminoisoquinolin-6-yl)methyl]-4-[(1-methylpiperidin-4-yl)amino]thiophene-2-carboxamide;N-[(1-aminoisoquinolin-6-yl)methyl]-4-[2-(1-methylpiperidin-4-yl)ethyl]-1,3-thiazole-2-carboxamide;N-[(1-aminoisoquinolin-6-yl)methyl]-4-[(1-methylpiperidin-4-yl)methylamino]thiophene-2-carboxamide;4-chloro-N-[(4,6-dimethyl-1H-pyrrolo[2,3-b]pyridin-5-yl)methyl]-5-methylthiophene-2-carboxamide (PubChem CID 167566311) has the molecular formula C81H95ClN18O4S4 and a molecular weight of 1548.49 g/mol. Its IUPAC name is N-[(1-aminoisoquinolin-6-yl)methyl]-4-[(1-methylpiperidin-4-yl)amino]thiophene-2-carboxamide;N-[(1-aminoisoquinolin-6-yl)methyl]-4-[2-(1-methylpiperidin-4-yl)ethyl]-1,3-thiazole-2-carboxamide;N-[(1-aminoisoquinolin-6-yl)methyl]-4-[(1-methylpiperidin-4-yl)methylamino]thiophene-2-carboxamide;4-chloro-N-[(4,6-dimethyl-1H-pyrrolo[2,3-b]pyridin-5-yl)methyl]-5-methylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-[(1-aminoisoquinolin-6-yl)methyl]-4-[(1-methylpiperidin-4-yl)amino]thiophene-2-carboxamide;N-[(1-aminoisoquinolin-6-yl)methyl]-4-[2-(1-methylpiperidin-4-yl)ethyl]-1,3-thiazole-2-carboxamide;N-[(1-aminoisoquinolin-6-yl)methyl]-4-[(1-methylpiperidin-4-yl)methylamino]thiophene-2-carboxamide;4-chloro-N-[(4,6-dimethyl-1H-pyrrolo[2,3-b]pyridin-5-yl)methyl]-5-methylthiophene-2-carboxamide
PubChem CID167566311
Molecular FormulaC81H95ClN18O4S4
Molecular Weight1548.49 g/mol
Exact Mass1546.64
IUPAC NameN-[(1-aminoisoquinolin-6-yl)methyl]-4-[(1-methylpiperidin-4-yl)amino]thiophene-2-carboxamide;N-[(1-aminoisoquinolin-6-yl)methyl]-4-[2-(1-methylpiperidin-4-yl)ethyl]-1,3-thiazole-2-carboxamide;N-[(1-aminoisoquinolin-6-yl)methyl]-4-[(1-methylpiperidin-4-yl)methylamino]thiophene-2-carboxamide;4-chloro-N-[(4,6-dimethyl-1H-pyrrolo[2,3-b]pyridin-5-yl)methyl]-5-methylthiophene-2-carboxamide
SMILESCN1CCC(CCc2csc(C(=O)NCc3ccc4c(N)nccc4c3)n2)CC1.CN1CCC(CNc2csc(C(=O)NCc3ccc4c(N)nccc4c3)c2)CC1.CN1CCC(Nc2csc(C(=O)NCc3ccc4c(N)nccc4c3)c2)CC1.Cc1nc2[nH]ccc2c(C)c1CNC(=O)c1cc(Cl)c(C)s1
InChIInChI=1S/2C22H27N5OS.C21H25N5OS.C16H16ClN3OS/c1-27-10-7-15(8-11-27)2-4-18-14-29-22(26-18)21(28)25-13-16-3-5-19-17(12-16)6-9-24-20(19)23;1-27-8-5-15(6-9-27)12-25-18-11-20(29-14-18)22(28)26-13-16-2-3-19-17(10-16)4-7-24-21(19)23;1-26-8-5-16(6-9-26)25-17-11-19(28-13-17)21(27)24-12-14-2-3-18-15(10-14)4-7-23-20(18)22;1-8-11-4-5-18-15(11)20-9(2)12(8)7-19-16(21)14-6-13(17)10(3)22-14/h3,5-6,9,12,14-15H,2,4,7-8,10-11,13H2,1H3,(H2,23,24)(H,25,28);2-4,7,10-11,14-15,25H,5-6,8-9,12-13H2,1H3,(H2,23,24)(H,26,28);2-4,7,10-11,13,16,25H,5-6,8-9,12H2,1H3,(H2,22,23)(H,24,27);4-6H,7H2,1-3H3,(H,18,20)(H,19,21)
InChIKeyFIGDQYKVWKSAHN-UHFFFAOYSA-N
XLogP14.49
TPSA308.48 Ų
H-Bond Donors10
H-Bond Acceptors21
Rotatable Bonds20
Heavy Atoms108
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001548.49
LogP ≤ 514.49
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1021

Analyze N-[(1-aminoisoquinolin-6-yl)methyl]-4-[(1-methylpiperidin-4-yl)amino]thiophene-2-carboxamide;N-[(1-aminoisoquinolin-6-yl)methyl]-4-[2-(1-methylpiperidin-4-yl)ethyl]-1,3-thiazole-2-carboxamide;N-[(1-aminoisoquinolin-6-yl)methyl]-4-[(1-methylpiperidin-4-yl)methylamino]thiophene-2-carboxamide;4-chloro-N-[(4,6-dimethyl-1H-pyrrolo[2,3-b]pyridin-5-yl)methyl]-5-methylthiophene-2-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[(1-aminoisoquinolin-6-yl)methyl]-4-[(1-methylpiperidin-4-yl)amino]thiophene-2-carboxamide;N-[(1-aminoisoquinolin-6-yl)methyl]-4-[2-(1-methylpiperidin-4-yl)ethyl]-1,3-thiazole-2-carboxamide;N-[(1-aminoisoquinolin-6-yl)methyl]-4-[(1-methylpiperidin-4-yl)methylamino]thiophene-2-carboxamide;4-chloro-N-[(4,6-dimethyl-1H-pyrrolo[2,3-b]pyridin-5-yl)methyl]-5-methylthiophene-2-carboxamide?
The IUPAC name of N-[(1-aminoisoquinolin-6-yl)methyl]-4-[(1-methylpiperidin-4-yl)amino]thiophene-2-carboxamide;N-[(1-aminoisoquinolin-6-yl)methyl]-4-[2-(1-methylpiperidin-4-yl)ethyl]-1,3-thiazole-2-carboxamide;N-[(1-aminoisoquinolin-6-yl)methyl]-4-[(1-methylpiperidin-4-yl)methylamino]thiophene-2-carboxamide;4-chloro-N-[(4,6-dimethyl-1H-pyrrolo[2,3-b]pyridin-5-yl)methyl]-5-methylthiophene-2-carboxamide (CID 167566311) is N-[(1-aminoisoquinolin-6-yl)methyl]-4-[(1-methylpiperidin-4-yl)amino]thiophene-2-carboxamide;N-[(1-aminoisoquinolin-6-yl)methyl]-4-[2-(1-methylpiperidin-4-yl)ethyl]-1,3-thiazole-2-carboxamide;N-[(1-aminoisoquinolin-6-yl)methyl]-4-[(1-methylpiperidin-4-yl)methylamino]thiophene-2-carboxamide;4-chloro-N-[(4,6-dimethyl-1H-pyrrolo[2,3-b]pyridin-5-yl)methyl]-5-methylthiophene-2-carboxamide.
What is the SMILES notation for N-[(1-aminoisoquinolin-6-yl)methyl]-4-[(1-methylpiperidin-4-yl)amino]thiophene-2-carboxamide;N-[(1-aminoisoquinolin-6-yl)methyl]-4-[2-(1-methylpiperidin-4-yl)ethyl]-1,3-thiazole-2-carboxamide;N-[(1-aminoisoquinolin-6-yl)methyl]-4-[(1-methylpiperidin-4-yl)methylamino]thiophene-2-carboxamide;4-chloro-N-[(4,6-dimethyl-1H-pyrrolo[2,3-b]pyridin-5-yl)methyl]-5-methylthiophene-2-carboxamide?
The canonical SMILES for N-[(1-aminoisoquinolin-6-yl)methyl]-4-[(1-methylpiperidin-4-yl)amino]thiophene-2-carboxamide;N-[(1-aminoisoquinolin-6-yl)methyl]-4-[2-(1-methylpiperidin-4-yl)ethyl]-1,3-thiazole-2-carboxamide;N-[(1-aminoisoquinolin-6-yl)methyl]-4-[(1-methylpiperidin-4-yl)methylamino]thiophene-2-carboxamide;4-chloro-N-[(4,6-dimethyl-1H-pyrrolo[2,3-b]pyridin-5-yl)methyl]-5-methylthiophene-2-carboxamide is CN1CCC(CCc2csc(C(=O)NCc3ccc4c(N)nccc4c3)n2)CC1.CN1CCC(CNc2csc(C(=O)NCc3ccc4c(N)nccc4c3)c2)CC1.CN1CCC(Nc2csc(C(=O)NCc3ccc4c(N)nccc4c3)c2)CC1.Cc1nc2[nH]ccc2c(C)c1CNC(=O)c1cc(Cl)c(C)s1.
What is the InChIKey of N-[(1-aminoisoquinolin-6-yl)methyl]-4-[(1-methylpiperidin-4-yl)amino]thiophene-2-carboxamide;N-[(1-aminoisoquinolin-6-yl)methyl]-4-[2-(1-methylpiperidin-4-yl)ethyl]-1,3-thiazole-2-carboxamide;N-[(1-aminoisoquinolin-6-yl)methyl]-4-[(1-methylpiperidin-4-yl)methylamino]thiophene-2-carboxamide;4-chloro-N-[(4,6-dimethyl-1H-pyrrolo[2,3-b]pyridin-5-yl)methyl]-5-methylthiophene-2-carboxamide?
The InChIKey is FIGDQYKVWKSAHN-UHFFFAOYSA-N. The full InChI is InChI=1S/2C22H27N5OS.C21H25N5OS.C16H16ClN3OS/c1-27-10-7-15(8-11-27)2-4-18-14-29-22(26-18)21(28)25-13-16-3-5-19-17(12-16)6-9-24-20(19)23;1-27-8-5-15(6-9-27)12-25-18-11-20(29-14-18)22(28)26-13-16-2-3-19-17(10-16)4-7-24-21(19)23;1-26-8-5-16(6-9-26)25-17-11-19(28-13-17)21(27)24-12-14-2-3-18-15(10-14)4-7-23-20(18)22;1-8-11-4-5-18-15(11)20-9(2)12(8)7-19-16(21)14-6-13(17)10(3)22-14/h3,5-6,9,12,14-15H,2,4,7-8,10-11,13H2,1H3,(H2,23,24)(H,25,28);2-4,7,10-11,14-15,25H,5-6,8-9,12-13H2,1H3,(H2,23,24)(H,26,28);2-4,7,10-11,13,16,25H,5-6,8-9,12H2,1H3,(H2,22,23)(H,24,27);4-6H,7H2,1-3H3,(H,18,20)(H,19,21).
What are the key properties of N-[(1-aminoisoquinolin-6-yl)methyl]-4-[(1-methylpiperidin-4-yl)amino]thiophene-2-carboxamide;N-[(1-aminoisoquinolin-6-yl)methyl]-4-[2-(1-methylpiperidin-4-yl)ethyl]-1,3-thiazole-2-carboxamide;N-[(1-aminoisoquinolin-6-yl)methyl]-4-[(1-methylpiperidin-4-yl)methylamino]thiophene-2-carboxamide;4-chloro-N-[(4,6-dimethyl-1H-pyrrolo[2,3-b]pyridin-5-yl)methyl]-5-methylthiophene-2-carboxamide?
N-[(1-aminoisoquinolin-6-yl)methyl]-4-[(1-methylpiperidin-4-yl)amino]thiophene-2-carboxamide;N-[(1-aminoisoquinolin-6-yl)methyl]-4-[2-(1-methylpiperidin-4-yl)ethyl]-1,3-thiazole-2-carboxamide;N-[(1-aminoisoquinolin-6-yl)methyl]-4-[(1-methylpiperidin-4-yl)methylamino]thiophene-2-carboxamide;4-chloro-N-[(4,6-dimethyl-1H-pyrrolo[2,3-b]pyridin-5-yl)methyl]-5-methylthiophene-2-carboxamide has a molecular weight of 1548.49 g/mol, XLogP of 14.49, 20 rotatable bonds, 10 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-aminoisoquinolin-6-yl)methyl]-4-[(1-methylpiperidin-4-yl)amino]thiophene-2-carboxamide;N-[(1-aminoisoquinolin-6-yl)methyl]-4-[2-(1-methylpiperidin-4-yl)ethyl]-1,3-thiazole-2-carboxamide;N-[(1-aminoisoquinolin-6-yl)methyl]-4-[(1-methylpiperidin-4-yl)methylamino]thiophene-2-carboxamide;4-chloro-N-[(4,6-dimethyl-1H-pyrrolo[2,3-b]pyridin-5-yl)methyl]-5-methylthiophene-2-carboxamide is sourced from PubChem (CID 167566311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).