5-amino-N-[(2-chloro-6-fluoro-3-methylphenyl)methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[(4-methylphenyl)methyl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[(3S)-1-phenylpyrrolidin-3-yl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[[4-(1-fluoroethoxy)phenyl]methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;1-amino-N-[2-(4-methoxyphenyl)cyclopropyl]-6,7,8,9-tetrahydrothieno[2,3-c]cinnoline-2-carboxamide;(4-methoxyphenyl) 3-[(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)amino]azetidine-1-carboxylate

C112H117ClF2N26O11S6 — CID 159732903

IUPAC5-amino-N-[(2-chloro-6-fluoro-3-methylphenyl)methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[(4-methylphenyl)methyl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[(3S)-1-phenylpyrrolidin-3-yl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[[4-(1-fluoroethoxy)phenyl]methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;1-amino-N-[2-(4-methoxyphenyl)cyclopropyl]-6,7,8,9-tetrahydrothieno[2,3-c]cinnoline-2-carboxamide;(4-methoxyphenyl) 3-[(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)amino]azetidine-1-carboxylate
SMILESCOc1ccc(C2CC2NC(=O)c2sc3nnc4c(c3c2N)CCCC4)cc1.COc1ccc(OC(=O)N2CC(NC(=O)c3sc4nnc(C)c(C)c4c3N)C2)cc1.Cc1ccc(CNC(=O)c2sc3nnc(C)c(C)c3c2N)cc1.Cc1ccc(F)c(CNC(=O)c2sc3nnc(C)c(C)c3c2N)c1Cl.Cc1nnc2sc(C(=O)NCc3ccc(OC(C)F)cc3)c(N)c2c1C.Cc1nnc2sc(C(=O)N[C@H]3CCN(c4ccccc4)C3)c(N)c2c1C
InChIInChI=1S/C21H22N4O2S.C20H21N5O4S.C19H21N5OS.C18H19FN4O2S.C17H16ClFN4OS.C17H18N4OS/c1-27-12-8-6-11(7-9-12)14-10-16(14)23-20(26)19-18(22)17-13-4-2-3-5-15(13)24-25-21(17)28-19;1-10-11(2)23-24-19-15(10)16(21)17(30-19)18(26)22-12-8-25(9-12)20(27)29-14-6-4-13(28-3)5-7-14;1-11-12(2)22-23-19-15(11)16(20)17(26-19)18(25)21-13-8-9-24(10-13)14-6-4-3-5-7-14;1-9-10(2)22-23-18-14(9)15(20)16(26-18)17(24)21-8-12-4-6-13(7-5-12)25-11(3)19;1-7-4-5-11(19)10(13(7)18)6-21-16(24)15-14(20)12-8(2)9(3)22-23-17(12)25-15;1-9-4-6-12(7-5-9)8-19-16(22)15-14(18)13-10(2)11(3)20-21-17(13)23-15/h6-9,14,16H,2-5,10,22H2,1H3,(H,23,26);4-7,12H,8-9,21H2,1-3H3,(H,22,26);3-7,13H,8-10,20H2,1-2H3,(H,21,25);4-7,11H,8,20H2,1-3H3,(H,21,24);4-5H,6,20H2,1-3H3,(H,21,24);4-7H,8,18H2,1-3H3,(H,19,22)/t;;13-;;;/m..0.../s1
InChIKeyNBLQTZRGVMFUMT-MXBVFJNMSA-N
MW2269.19 g/mol
LogP19.42
Rot. Bonds22

About 5-amino-N-[(2-chloro-6-fluoro-3-methylphenyl)methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[(4-methylphenyl)methyl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[(3S)-1-phenylpyrrolidin-3-yl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[[4-(1-fluoroethoxy)phenyl]methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;1-amino-N-[2-(4-methoxyphenyl)cyclopropyl]-6,7,8,9-tetrahydrothieno[2,3-c]cinnoline-2-carboxamide;(4-methoxyphenyl) 3-[(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)amino]azetidine-1-carboxylate

5-amino-N-[(2-chloro-6-fluoro-3-methylphenyl)methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[(4-methylphenyl)methyl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[(3S)-1-phenylpyrrolidin-3-yl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[[4-(1-fluoroethoxy)phenyl]methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;1-amino-N-[2-(4-methoxyphenyl)cyclopropyl]-6,7,8,9-tetrahydrothieno[2,3-c]cinnoline-2-carboxamide;(4-methoxyphenyl) 3-[(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)amino]azetidine-1-carboxylate (PubChem CID 159732903) has the molecular formula C112H117ClF2N26O11S6 and a molecular weight of 2269.19 g/mol. Its IUPAC name is 5-amino-N-[(2-chloro-6-fluoro-3-methylphenyl)methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[(4-methylphenyl)methyl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[(3S)-1-phenylpyrrolidin-3-yl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[[4-(1-fluoroethoxy)phenyl]methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;1-amino-N-[2-(4-methoxyphenyl)cyclopropyl]-6,7,8,9-tetrahydrothieno[2,3-c]cinnoline-2-carboxamide;(4-methoxyphenyl) 3-[(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)amino]azetidine-1-carboxylate.

Molecular Properties

Compound Name5-amino-N-[(2-chloro-6-fluoro-3-methylphenyl)methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[(4-methylphenyl)methyl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[(3S)-1-phenylpyrrolidin-3-yl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[[4-(1-fluoroethoxy)phenyl]methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;1-amino-N-[2-(4-methoxyphenyl)cyclopropyl]-6,7,8,9-tetrahydrothieno[2,3-c]cinnoline-2-carboxamide;(4-methoxyphenyl) 3-[(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)amino]azetidine-1-carboxylate
PubChem CID159732903
Molecular FormulaC112H117ClF2N26O11S6
Molecular Weight2269.19 g/mol
Exact Mass2266.74
IUPAC Name5-amino-N-[(2-chloro-6-fluoro-3-methylphenyl)methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[(4-methylphenyl)methyl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[(3S)-1-phenylpyrrolidin-3-yl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[[4-(1-fluoroethoxy)phenyl]methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;1-amino-N-[2-(4-methoxyphenyl)cyclopropyl]-6,7,8,9-tetrahydrothieno[2,3-c]cinnoline-2-carboxamide;(4-methoxyphenyl) 3-[(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)amino]azetidine-1-carboxylate
SMILESCOc1ccc(C2CC2NC(=O)c2sc3nnc4c(c3c2N)CCCC4)cc1.COc1ccc(OC(=O)N2CC(NC(=O)c3sc4nnc(C)c(C)c4c3N)C2)cc1.Cc1ccc(CNC(=O)c2sc3nnc(C)c(C)c3c2N)cc1.Cc1ccc(F)c(CNC(=O)c2sc3nnc(C)c(C)c3c2N)c1Cl.Cc1nnc2sc(C(=O)NCc3ccc(OC(C)F)cc3)c(N)c2c1C.Cc1nnc2sc(C(=O)N[C@H]3CCN(c4ccccc4)C3)c(N)c2c1C
InChIInChI=1S/C21H22N4O2S.C20H21N5O4S.C19H21N5OS.C18H19FN4O2S.C17H16ClFN4OS.C17H18N4OS/c1-27-12-8-6-11(7-9-12)14-10-16(14)23-20(26)19-18(22)17-13-4-2-3-5-15(13)24-25-21(17)28-19;1-10-11(2)23-24-19-15(10)16(21)17(30-19)18(26)22-12-8-25(9-12)20(27)29-14-6-4-13(28-3)5-7-14;1-11-12(2)22-23-19-15(11)16(20)17(26-19)18(25)21-13-8-9-24(10-13)14-6-4-3-5-7-14;1-9-10(2)22-23-18-14(9)15(20)16(26-18)17(24)21-8-12-4-6-13(7-5-12)25-11(3)19;1-7-4-5-11(19)10(13(7)18)6-21-16(24)15-14(20)12-8(2)9(3)22-23-17(12)25-15;1-9-4-6-12(7-5-9)8-19-16(22)15-14(18)13-10(2)11(3)20-21-17(13)23-15/h6-9,14,16H,2-5,10,22H2,1H3,(H,23,26);4-7,12H,8-9,21H2,1-3H3,(H,22,26);3-7,13H,8-10,20H2,1-2H3,(H,21,25);4-7,11H,8,20H2,1-3H3,(H,21,24);4-5H,6,20H2,1-3H3,(H,21,24);4-7H,8,18H2,1-3H3,(H,19,22)/t;;13-;;;/m..0.../s1
InChIKeyNBLQTZRGVMFUMT-MXBVFJNMSA-N
XLogP19.42
TPSA545.87 Ų
H-Bond Donors12
H-Bond Acceptors36
Rotatable Bonds22
Heavy Atoms158
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002269.19
LogP ≤ 519.42
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1036

Analyze 5-amino-N-[(2-chloro-6-fluoro-3-methylphenyl)methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[(4-methylphenyl)methyl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[(3S)-1-phenylpyrrolidin-3-yl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[[4-(1-fluoroethoxy)phenyl]methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;1-amino-N-[2-(4-methoxyphenyl)cyclopropyl]-6,7,8,9-tetrahydrothieno[2,3-c]cinnoline-2-carboxamide;(4-methoxyphenyl) 3-[(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)amino]azetidine-1-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-[(2-chloro-6-fluoro-3-methylphenyl)methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[(4-methylphenyl)methyl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[(3S)-1-phenylpyrrolidin-3-yl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[[4-(1-fluoroethoxy)phenyl]methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;1-amino-N-[2-(4-methoxyphenyl)cyclopropyl]-6,7,8,9-tetrahydrothieno[2,3-c]cinnoline-2-carboxamide;(4-methoxyphenyl) 3-[(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)amino]azetidine-1-carboxylate?
The IUPAC name of 5-amino-N-[(2-chloro-6-fluoro-3-methylphenyl)methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[(4-methylphenyl)methyl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[(3S)-1-phenylpyrrolidin-3-yl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[[4-(1-fluoroethoxy)phenyl]methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;1-amino-N-[2-(4-methoxyphenyl)cyclopropyl]-6,7,8,9-tetrahydrothieno[2,3-c]cinnoline-2-carboxamide;(4-methoxyphenyl) 3-[(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)amino]azetidine-1-carboxylate (CID 159732903) is 5-amino-N-[(2-chloro-6-fluoro-3-methylphenyl)methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[(4-methylphenyl)methyl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[(3S)-1-phenylpyrrolidin-3-yl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[[4-(1-fluoroethoxy)phenyl]methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;1-amino-N-[2-(4-methoxyphenyl)cyclopropyl]-6,7,8,9-tetrahydrothieno[2,3-c]cinnoline-2-carboxamide;(4-methoxyphenyl) 3-[(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)amino]azetidine-1-carboxylate.
What is the SMILES notation for 5-amino-N-[(2-chloro-6-fluoro-3-methylphenyl)methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[(4-methylphenyl)methyl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[(3S)-1-phenylpyrrolidin-3-yl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[[4-(1-fluoroethoxy)phenyl]methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;1-amino-N-[2-(4-methoxyphenyl)cyclopropyl]-6,7,8,9-tetrahydrothieno[2,3-c]cinnoline-2-carboxamide;(4-methoxyphenyl) 3-[(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)amino]azetidine-1-carboxylate?
The canonical SMILES for 5-amino-N-[(2-chloro-6-fluoro-3-methylphenyl)methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[(4-methylphenyl)methyl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[(3S)-1-phenylpyrrolidin-3-yl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[[4-(1-fluoroethoxy)phenyl]methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;1-amino-N-[2-(4-methoxyphenyl)cyclopropyl]-6,7,8,9-tetrahydrothieno[2,3-c]cinnoline-2-carboxamide;(4-methoxyphenyl) 3-[(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)amino]azetidine-1-carboxylate is COc1ccc(C2CC2NC(=O)c2sc3nnc4c(c3c2N)CCCC4)cc1.COc1ccc(OC(=O)N2CC(NC(=O)c3sc4nnc(C)c(C)c4c3N)C2)cc1.Cc1ccc(CNC(=O)c2sc3nnc(C)c(C)c3c2N)cc1.Cc1ccc(F)c(CNC(=O)c2sc3nnc(C)c(C)c3c2N)c1Cl.Cc1nnc2sc(C(=O)NCc3ccc(OC(C)F)cc3)c(N)c2c1C.Cc1nnc2sc(C(=O)N[C@H]3CCN(c4ccccc4)C3)c(N)c2c1C.
What is the InChIKey of 5-amino-N-[(2-chloro-6-fluoro-3-methylphenyl)methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[(4-methylphenyl)methyl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[(3S)-1-phenylpyrrolidin-3-yl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[[4-(1-fluoroethoxy)phenyl]methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;1-amino-N-[2-(4-methoxyphenyl)cyclopropyl]-6,7,8,9-tetrahydrothieno[2,3-c]cinnoline-2-carboxamide;(4-methoxyphenyl) 3-[(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)amino]azetidine-1-carboxylate?
The InChIKey is NBLQTZRGVMFUMT-MXBVFJNMSA-N. The full InChI is InChI=1S/C21H22N4O2S.C20H21N5O4S.C19H21N5OS.C18H19FN4O2S.C17H16ClFN4OS.C17H18N4OS/c1-27-12-8-6-11(7-9-12)14-10-16(14)23-20(26)19-18(22)17-13-4-2-3-5-15(13)24-25-21(17)28-19;1-10-11(2)23-24-19-15(10)16(21)17(30-19)18(26)22-12-8-25(9-12)20(27)29-14-6-4-13(28-3)5-7-14;1-11-12(2)22-23-19-15(11)16(20)17(26-19)18(25)21-13-8-9-24(10-13)14-6-4-3-5-7-14;1-9-10(2)22-23-18-14(9)15(20)16(26-18)17(24)21-8-12-4-6-13(7-5-12)25-11(3)19;1-7-4-5-11(19)10(13(7)18)6-21-16(24)15-14(20)12-8(2)9(3)22-23-17(12)25-15;1-9-4-6-12(7-5-9)8-19-16(22)15-14(18)13-10(2)11(3)20-21-17(13)23-15/h6-9,14,16H,2-5,10,22H2,1H3,(H,23,26);4-7,12H,8-9,21H2,1-3H3,(H,22,26);3-7,13H,8-10,20H2,1-2H3,(H,21,25);4-7,11H,8,20H2,1-3H3,(H,21,24);4-5H,6,20H2,1-3H3,(H,21,24);4-7H,8,18H2,1-3H3,(H,19,22)/t;;13-;;;/m..0.../s1.
What are the key properties of 5-amino-N-[(2-chloro-6-fluoro-3-methylphenyl)methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[(4-methylphenyl)methyl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[(3S)-1-phenylpyrrolidin-3-yl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[[4-(1-fluoroethoxy)phenyl]methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;1-amino-N-[2-(4-methoxyphenyl)cyclopropyl]-6,7,8,9-tetrahydrothieno[2,3-c]cinnoline-2-carboxamide;(4-methoxyphenyl) 3-[(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)amino]azetidine-1-carboxylate?
5-amino-N-[(2-chloro-6-fluoro-3-methylphenyl)methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[(4-methylphenyl)methyl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[(3S)-1-phenylpyrrolidin-3-yl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[[4-(1-fluoroethoxy)phenyl]methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;1-amino-N-[2-(4-methoxyphenyl)cyclopropyl]-6,7,8,9-tetrahydrothieno[2,3-c]cinnoline-2-carboxamide;(4-methoxyphenyl) 3-[(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)amino]azetidine-1-carboxylate has a molecular weight of 2269.19 g/mol, XLogP of 19.42, 22 rotatable bonds, 12 hydrogen bond donors, and 36 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-[(2-chloro-6-fluoro-3-methylphenyl)methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[(4-methylphenyl)methyl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[(3S)-1-phenylpyrrolidin-3-yl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[[4-(1-fluoroethoxy)phenyl]methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;1-amino-N-[2-(4-methoxyphenyl)cyclopropyl]-6,7,8,9-tetrahydrothieno[2,3-c]cinnoline-2-carboxamide;(4-methoxyphenyl) 3-[(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)amino]azetidine-1-carboxylate is sourced from PubChem (CID 159732903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).