5-amino-3,4-dimethyl-N-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[(3R)-1-phenylpyrrolidin-3-yl]thieno[2,3-c]pyridazine-6-carboxamide;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-(3-bromo-3-phenylazetidin-1-yl)methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-(3,4-dihydro-2H-pyrrolo[1,2-a]pyrimidin-1-yl)methanone;5-amino-N-[(4-methoxy-3-methylphenyl)methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;benzyl N-[1-(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)azetidin-3-yl]carbamate

C111H116BrN29O9S6 — CID 158130205

About 5-amino-3,4-dimethyl-N-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[(3R)-1-phenylpyrrolidin-3-yl]thieno[2,3-c]pyridazine-6-carboxamide;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-(3-bromo-3-phenylazetidin-1-yl)methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-(3,4-dihydro-2H-pyrrolo[1,2-a]pyrimidin-1-yl)methanone;5-amino-N-[(4-methoxy-3-methylphenyl)methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;benzyl N-[1-(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)azetidin-3-yl]carbamate

5-amino-3,4-dimethyl-N-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[(3R)-1-phenylpyrrolidin-3-yl]thieno[2,3-c]pyridazine-6-carboxamide;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-(3-bromo-3-phenylazetidin-1-yl)methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-(3,4-dihydro-2H-pyrrolo[1,2-a]pyrimidin-1-yl)methanone;5-amino-N-[(4-methoxy-3-methylphenyl)methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;benzyl N-[1-(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)azetidin-3-yl]carbamate (PubChem CID 158130205) has the molecular formula C111H116BrN29O9S6 and a molecular weight of 2272.65 g/mol. Its IUPAC name is 5-amino-3,4-dimethyl-N-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[(3R)-1-phenylpyrrolidin-3-yl]thieno[2,3-c]pyridazine-6-carboxamide;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-(3-bromo-3-phenylazetidin-1-yl)methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-(3,4-dihydro-2H-pyrrolo[1,2-a]pyrimidin-1-yl)methanone;5-amino-N-[(4-methoxy-3-methylphenyl)methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;benzyl N-[1-(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)azetidin-3-yl]carbamate.

Molecular Properties

• Compound Name: 5-amino-3,4-dimethyl-N-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[(3R)-1-phenylpyrrolidin-3-yl]thieno[2,3-c]pyridazine-6-carboxamide;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-(3-bromo-3-phenylazetidin-1-yl)methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-(3,4-dihydro-2H-pyrrolo[1,2-a]pyrimidin-1-yl)methanone;5-amino-N-[(4-methoxy-3-methylphenyl)methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;benzyl N-[1-(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)azetidin-3-yl]carbamate
• PubChem CID: 158130205
• Molecular Formula: C111H116BrN29O9S6
• Molecular Weight: 2272.65 g/mol
• Exact Mass: 2269.70
• IUPAC Name: 5-amino-3,4-dimethyl-N-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[(3R)-1-phenylpyrrolidin-3-yl]thieno[2,3-c]pyridazine-6-carboxamide;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-(3-bromo-3-phenylazetidin-1-yl)methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-(3,4-dihydro-2H-pyrrolo[1,2-a]pyrimidin-1-yl)methanone;5-amino-N-[(4-methoxy-3-methylphenyl)methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;benzyl N-[1-(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)azetidin-3-yl]carbamate
• SMILES: COc1ccc(CNC(=O)c2sc3nnc(C)c(C)c3c2N)cc1C.Cc1nnc2sc(C(=O)N3CC(Br)(c4ccccc4)C3)c(N)c2c1C.Cc1nnc2sc(C(=O)N3CC(NC(=O)OCc4ccccc4)C3)c(N)c2c1C.Cc1nnc2sc(C(=O)N3CCCn4cccc43)c(N)c2c1C.Cc1nnc2sc(C(=O)NCc3ccc(-c4cnn(C)c4)cc3)c(N)c2c1C.Cc1nnc2sc(C(=O)N[C@@H]3CCN(c4ccccc4)C3)c(N)c2c1C
• InChI: InChI=1S/C20H20N6OS.C20H21N5O3S.C19H21N5OS.C18H17BrN4OS.C18H20N4O2S.C16H17N5OS/c1-11-12(2)24-25-20-16(11)17(21)18(28-20)19(27)22-8-13-4-6-14(7-5-13)15-9-23-26(3)10-15;1-11-12(2)23-24-18-15(11)16(21)17(29-18)19(26)25-8-14(9-25)22-20(27)28-10-13-6-4-3-5-7-13;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;1-10-11(2)21-22-16-13(10)14(20)15(25-16)17(24)23-8-18(19,9-23)12-6-4-3-5-7-12;1-9-7-12(5-6-13(9)24-4)8-20-17(23)16-15(19)14-10(2)11(3)21-22-18(14)25-16;1-9-10(2)18-19-15-12(9)13(17)14(23-15)16(22)21-8-4-7-20-6-3-5-11(20)21/h4-7,9-10H,8,21H2,1-3H3,(H,22,27);3-7,14H,8-10,21H2,1-2H3,(H,22,27);3-7,13H,8-10,20H2,1-2H3,(H,21,25);3-7H,8-9,20H2,1-2H3;5-7H,8,19H2,1-4H3,(H,20,23);3,5-6H,4,7-8,17H2,1-2H3/t;;13-;;;/m..1.../s1
• InChIKey: FSRIJVRNCWDBCA-IEUDWUHUSA-N
• XLogP: 18.28
• TPSA: 532.58 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 37
• Rotatable Bonds: 18
• Heavy Atoms: 156
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2272.65
LogP ≤ 5	18.28
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	37

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-amino-3,4-dimethyl-N-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[(3R)-1-phenylpyrrolidin-3-yl]thieno[2,3-c]pyridazine-6-carboxamide;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-(3-bromo-3-phenylazetidin-1-yl)methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-(3,4-dihydro-2H-pyrrolo[1,2-a]pyrimidin-1-yl)methanone;5-amino-N-[(4-methoxy-3-methylphenyl)methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;benzyl N-[1-(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)azetidin-3-yl]carbamate?

The IUPAC name of 5-amino-3,4-dimethyl-N-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[(3R)-1-phenylpyrrolidin-3-yl]thieno[2,3-c]pyridazine-6-carboxamide;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-(3-bromo-3-phenylazetidin-1-yl)methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-(3,4-dihydro-2H-pyrrolo[1,2-a]pyrimidin-1-yl)methanone;5-amino-N-[(4-methoxy-3-methylphenyl)methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;benzyl N-[1-(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)azetidin-3-yl]carbamate (CID 158130205) is 5-amino-3,4-dimethyl-N-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[(3R)-1-phenylpyrrolidin-3-yl]thieno[2,3-c]pyridazine-6-carboxamide;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-(3-bromo-3-phenylazetidin-1-yl)methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-(3,4-dihydro-2H-pyrrolo[1,2-a]pyrimidin-1-yl)methanone;5-amino-N-[(4-methoxy-3-methylphenyl)methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;benzyl N-[1-(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)azetidin-3-yl]carbamate.

What is the SMILES notation for 5-amino-3,4-dimethyl-N-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[(3R)-1-phenylpyrrolidin-3-yl]thieno[2,3-c]pyridazine-6-carboxamide;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-(3-bromo-3-phenylazetidin-1-yl)methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-(3,4-dihydro-2H-pyrrolo[1,2-a]pyrimidin-1-yl)methanone;5-amino-N-[(4-methoxy-3-methylphenyl)methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;benzyl N-[1-(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)azetidin-3-yl]carbamate?

The canonical SMILES for 5-amino-3,4-dimethyl-N-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[(3R)-1-phenylpyrrolidin-3-yl]thieno[2,3-c]pyridazine-6-carboxamide;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-(3-bromo-3-phenylazetidin-1-yl)methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-(3,4-dihydro-2H-pyrrolo[1,2-a]pyrimidin-1-yl)methanone;5-amino-N-[(4-methoxy-3-methylphenyl)methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;benzyl N-[1-(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)azetidin-3-yl]carbamate is COc1ccc(CNC(=O)c2sc3nnc(C)c(C)c3c2N)cc1C.Cc1nnc2sc(C(=O)N3CC(Br)(c4ccccc4)C3)c(N)c2c1C.Cc1nnc2sc(C(=O)N3CC(NC(=O)OCc4ccccc4)C3)c(N)c2c1C.Cc1nnc2sc(C(=O)N3CCCn4cccc43)c(N)c2c1C.Cc1nnc2sc(C(=O)NCc3ccc(-c4cnn(C)c4)cc3)c(N)c2c1C.Cc1nnc2sc(C(=O)N[C@@H]3CCN(c4ccccc4)C3)c(N)c2c1C.

What is the InChIKey of 5-amino-3,4-dimethyl-N-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[(3R)-1-phenylpyrrolidin-3-yl]thieno[2,3-c]pyridazine-6-carboxamide;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-(3-bromo-3-phenylazetidin-1-yl)methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-(3,4-dihydro-2H-pyrrolo[1,2-a]pyrimidin-1-yl)methanone;5-amino-N-[(4-methoxy-3-methylphenyl)methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;benzyl N-[1-(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)azetidin-3-yl]carbamate?

The InChIKey is FSRIJVRNCWDBCA-IEUDWUHUSA-N. The full InChI is InChI=1S/C20H20N6OS.C20H21N5O3S.C19H21N5OS.C18H17BrN4OS.C18H20N4O2S.C16H17N5OS/c1-11-12(2)24-25-20-16(11)17(21)18(28-20)19(27)22-8-13-4-6-14(7-5-13)15-9-23-26(3)10-15;1-11-12(2)23-24-18-15(11)16(21)17(29-18)19(26)25-8-14(9-25)22-20(27)28-10-13-6-4-3-5-7-13;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;1-10-11(2)21-22-16-13(10)14(20)15(25-16)17(24)23-8-18(19,9-23)12-6-4-3-5-7-12;1-9-7-12(5-6-13(9)24-4)8-20-17(23)16-15(19)14-10(2)11(3)21-22-18(14)25-16;1-9-10(2)18-19-15-12(9)13(17)14(23-15)16(22)21-8-4-7-20-6-3-5-11(20)21/h4-7,9-10H,8,21H2,1-3H3,(H,22,27);3-7,14H,8-10,21H2,1-2H3,(H,22,27);3-7,13H,8-10,20H2,1-2H3,(H,21,25);3-7H,8-9,20H2,1-2H3;5-7H,8,19H2,1-4H3,(H,20,23);3,5-6H,4,7-8,17H2,1-2H3/t;;13-;;;/m..1.../s1.

What are the key properties of 5-amino-3,4-dimethyl-N-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[(3R)-1-phenylpyrrolidin-3-yl]thieno[2,3-c]pyridazine-6-carboxamide;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-(3-bromo-3-phenylazetidin-1-yl)methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-(3,4-dihydro-2H-pyrrolo[1,2-a]pyrimidin-1-yl)methanone;5-amino-N-[(4-methoxy-3-methylphenyl)methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;benzyl N-[1-(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)azetidin-3-yl]carbamate?

5-amino-3,4-dimethyl-N-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[(3R)-1-phenylpyrrolidin-3-yl]thieno[2,3-c]pyridazine-6-carboxamide;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-(3-bromo-3-phenylazetidin-1-yl)methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-(3,4-dihydro-2H-pyrrolo[1,2-a]pyrimidin-1-yl)methanone;5-amino-N-[(4-methoxy-3-methylphenyl)methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;benzyl N-[1-(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)azetidin-3-yl]carbamate has a molecular weight of 2272.65 g/mol, XLogP of 18.28, 18 rotatable bonds, 10 hydrogen bond donors, and 37 hydrogen bond acceptors.

Where does this data come from?

All data for 5-amino-3,4-dimethyl-N-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[(3R)-1-phenylpyrrolidin-3-yl]thieno[2,3-c]pyridazine-6-carboxamide;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-(3-bromo-3-phenylazetidin-1-yl)methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-(3,4-dihydro-2H-pyrrolo[1,2-a]pyrimidin-1-yl)methanone;5-amino-N-[(4-methoxy-3-methylphenyl)methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;benzyl N-[1-(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)azetidin-3-yl]carbamate is sourced from PubChem (CID 158130205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).