5-amino-3,4-dimethyl-N-[[4-(6-methyl-3-pyridinyl)phenyl]methyl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[(4-ethylsulfonylphenyl)methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[[3-fluoro-4-(1-fluoroethylsulfinyl)phenyl]methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[[4-(2-methoxypyrimidin-5-yl)phenyl]methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide

C79H79F2N19O8S6 — CID 157075396

IUPAC5-amino-3,4-dimethyl-N-[[4-(6-methyl-3-pyridinyl)phenyl]methyl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[(4-ethylsulfonylphenyl)methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[[3-fluoro-4-(1-fluoroethylsulfinyl)phenyl]methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[[4-(2-methoxypyrimidin-5-yl)phenyl]methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide
SMILESCCS(=O)(=O)c1ccc(CNC(=O)c2sc3nnc(C)c(C)c3c2N)cc1.COc1ncc(-c2ccc(CNC(=O)c3sc4nnc(C)c(C)c4c3N)cc2)cn1.Cc1ccc(-c2ccc(CNC(=O)c3sc4nnc(C)c(C)c4c3N)cc2)cn1.Cc1nnc2sc(C(=O)NCc3ccc(S(=O)C(C)F)c(F)c3)c(N)c2c1C
InChIInChI=1S/C22H21N5OS.C21H20N6O2S.C18H18F2N4O2S2.C18H20N4O3S2/c1-12-4-7-17(11-24-12)16-8-5-15(6-9-16)10-25-21(28)20-19(23)18-13(2)14(3)26-27-22(18)29-20;1-11-12(2)26-27-20-16(11)17(22)18(30-20)19(28)23-8-13-4-6-14(7-5-13)15-9-24-21(29-3)25-10-15;1-8-9(2)23-24-18-14(8)15(21)16(27-18)17(25)22-7-11-4-5-13(12(20)6-11)28(26)10(3)19;1-4-27(24,25)13-7-5-12(6-8-13)9-20-17(23)16-15(19)14-10(2)11(3)21-22-18(14)26-16/h4-9,11H,10,23H2,1-3H3,(H,25,28);4-7,9-10H,8,22H2,1-3H3,(H,23,28);4-6,10H,7,21H2,1-3H3,(H,22,25);5-8H,4,9,19H2,1-3H3,(H,20,23)
InChIKeyACXKSSPPHHNFQL-UHFFFAOYSA-N
MW1653.02 g/mol
LogP13.47
Rot. Bonds19

About 5-amino-3,4-dimethyl-N-[[4-(6-methyl-3-pyridinyl)phenyl]methyl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[(4-ethylsulfonylphenyl)methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[[3-fluoro-4-(1-fluoroethylsulfinyl)phenyl]methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[[4-(2-methoxypyrimidin-5-yl)phenyl]methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide

5-amino-3,4-dimethyl-N-[[4-(6-methyl-3-pyridinyl)phenyl]methyl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[(4-ethylsulfonylphenyl)methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[[3-fluoro-4-(1-fluoroethylsulfinyl)phenyl]methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[[4-(2-methoxypyrimidin-5-yl)phenyl]methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide (PubChem CID 157075396) has the molecular formula C79H79F2N19O8S6 and a molecular weight of 1653.02 g/mol. Its IUPAC name is 5-amino-3,4-dimethyl-N-[[4-(6-methyl-3-pyridinyl)phenyl]methyl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[(4-ethylsulfonylphenyl)methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[[3-fluoro-4-(1-fluoroethylsulfinyl)phenyl]methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[[4-(2-methoxypyrimidin-5-yl)phenyl]methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide.

Molecular Properties

Compound Name5-amino-3,4-dimethyl-N-[[4-(6-methyl-3-pyridinyl)phenyl]methyl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[(4-ethylsulfonylphenyl)methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[[3-fluoro-4-(1-fluoroethylsulfinyl)phenyl]methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[[4-(2-methoxypyrimidin-5-yl)phenyl]methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide
PubChem CID157075396
Molecular FormulaC79H79F2N19O8S6
Molecular Weight1653.02 g/mol
Exact Mass1651.47
IUPAC Name5-amino-3,4-dimethyl-N-[[4-(6-methyl-3-pyridinyl)phenyl]methyl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[(4-ethylsulfonylphenyl)methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[[3-fluoro-4-(1-fluoroethylsulfinyl)phenyl]methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[[4-(2-methoxypyrimidin-5-yl)phenyl]methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide
SMILESCCS(=O)(=O)c1ccc(CNC(=O)c2sc3nnc(C)c(C)c3c2N)cc1.COc1ncc(-c2ccc(CNC(=O)c3sc4nnc(C)c(C)c4c3N)cc2)cn1.Cc1ccc(-c2ccc(CNC(=O)c3sc4nnc(C)c(C)c4c3N)cc2)cn1.Cc1nnc2sc(C(=O)NCc3ccc(S(=O)C(C)F)c(F)c3)c(N)c2c1C
InChIInChI=1S/C22H21N5OS.C21H20N6O2S.C18H18F2N4O2S2.C18H20N4O3S2/c1-12-4-7-17(11-24-12)16-8-5-15(6-9-16)10-25-21(28)20-19(23)18-13(2)14(3)26-27-22(18)29-20;1-11-12(2)26-27-20-16(11)17(22)18(30-20)19(28)23-8-13-4-6-14(7-5-13)15-9-24-21(29-3)25-10-15;1-8-9(2)23-24-18-14(8)15(21)16(27-18)17(25)22-7-11-4-5-13(12(20)6-11)28(26)10(3)19;1-4-27(24,25)13-7-5-12(6-8-13)9-20-17(23)16-15(19)14-10(2)11(3)21-22-18(14)26-16/h4-9,11H,10,23H2,1-3H3,(H,25,28);4-7,9-10H,8,22H2,1-3H3,(H,23,28);4-6,10H,7,21H2,1-3H3,(H,22,25);5-8H,4,9,19H2,1-3H3,(H,20,23)
InChIKeyACXKSSPPHHNFQL-UHFFFAOYSA-N
XLogP13.47
TPSA422.71 Ų
H-Bond Donors8
H-Bond Acceptors27
Rotatable Bonds19
Heavy Atoms114
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001653.02
LogP ≤ 513.47
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1027

Analyze 5-amino-3,4-dimethyl-N-[[4-(6-methyl-3-pyridinyl)phenyl]methyl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[(4-ethylsulfonylphenyl)methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[[3-fluoro-4-(1-fluoroethylsulfinyl)phenyl]methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[[4-(2-methoxypyrimidin-5-yl)phenyl]methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-amino-3,4-dimethyl-N-[[4-(6-methyl-3-pyridinyl)phenyl]methyl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[(4-ethylsulfonylphenyl)methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[[3-fluoro-4-(1-fluoroethylsulfinyl)phenyl]methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[[4-(2-methoxypyrimidin-5-yl)phenyl]methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide?
The IUPAC name of 5-amino-3,4-dimethyl-N-[[4-(6-methyl-3-pyridinyl)phenyl]methyl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[(4-ethylsulfonylphenyl)methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[[3-fluoro-4-(1-fluoroethylsulfinyl)phenyl]methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[[4-(2-methoxypyrimidin-5-yl)phenyl]methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide (CID 157075396) is 5-amino-3,4-dimethyl-N-[[4-(6-methyl-3-pyridinyl)phenyl]methyl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[(4-ethylsulfonylphenyl)methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[[3-fluoro-4-(1-fluoroethylsulfinyl)phenyl]methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[[4-(2-methoxypyrimidin-5-yl)phenyl]methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide.
What is the SMILES notation for 5-amino-3,4-dimethyl-N-[[4-(6-methyl-3-pyridinyl)phenyl]methyl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[(4-ethylsulfonylphenyl)methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[[3-fluoro-4-(1-fluoroethylsulfinyl)phenyl]methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[[4-(2-methoxypyrimidin-5-yl)phenyl]methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide?
The canonical SMILES for 5-amino-3,4-dimethyl-N-[[4-(6-methyl-3-pyridinyl)phenyl]methyl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[(4-ethylsulfonylphenyl)methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[[3-fluoro-4-(1-fluoroethylsulfinyl)phenyl]methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[[4-(2-methoxypyrimidin-5-yl)phenyl]methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide is CCS(=O)(=O)c1ccc(CNC(=O)c2sc3nnc(C)c(C)c3c2N)cc1.COc1ncc(-c2ccc(CNC(=O)c3sc4nnc(C)c(C)c4c3N)cc2)cn1.Cc1ccc(-c2ccc(CNC(=O)c3sc4nnc(C)c(C)c4c3N)cc2)cn1.Cc1nnc2sc(C(=O)NCc3ccc(S(=O)C(C)F)c(F)c3)c(N)c2c1C.
What is the InChIKey of 5-amino-3,4-dimethyl-N-[[4-(6-methyl-3-pyridinyl)phenyl]methyl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[(4-ethylsulfonylphenyl)methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[[3-fluoro-4-(1-fluoroethylsulfinyl)phenyl]methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[[4-(2-methoxypyrimidin-5-yl)phenyl]methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide?
The InChIKey is ACXKSSPPHHNFQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N5OS.C21H20N6O2S.C18H18F2N4O2S2.C18H20N4O3S2/c1-12-4-7-17(11-24-12)16-8-5-15(6-9-16)10-25-21(28)20-19(23)18-13(2)14(3)26-27-22(18)29-20;1-11-12(2)26-27-20-16(11)17(22)18(30-20)19(28)23-8-13-4-6-14(7-5-13)15-9-24-21(29-3)25-10-15;1-8-9(2)23-24-18-14(8)15(21)16(27-18)17(25)22-7-11-4-5-13(12(20)6-11)28(26)10(3)19;1-4-27(24,25)13-7-5-12(6-8-13)9-20-17(23)16-15(19)14-10(2)11(3)21-22-18(14)26-16/h4-9,11H,10,23H2,1-3H3,(H,25,28);4-7,9-10H,8,22H2,1-3H3,(H,23,28);4-6,10H,7,21H2,1-3H3,(H,22,25);5-8H,4,9,19H2,1-3H3,(H,20,23).
What are the key properties of 5-amino-3,4-dimethyl-N-[[4-(6-methyl-3-pyridinyl)phenyl]methyl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[(4-ethylsulfonylphenyl)methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[[3-fluoro-4-(1-fluoroethylsulfinyl)phenyl]methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[[4-(2-methoxypyrimidin-5-yl)phenyl]methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide?
5-amino-3,4-dimethyl-N-[[4-(6-methyl-3-pyridinyl)phenyl]methyl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[(4-ethylsulfonylphenyl)methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[[3-fluoro-4-(1-fluoroethylsulfinyl)phenyl]methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[[4-(2-methoxypyrimidin-5-yl)phenyl]methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide has a molecular weight of 1653.02 g/mol, XLogP of 13.47, 19 rotatable bonds, 8 hydrogen bond donors, and 27 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-3,4-dimethyl-N-[[4-(6-methyl-3-pyridinyl)phenyl]methyl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[(4-ethylsulfonylphenyl)methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[[3-fluoro-4-(1-fluoroethylsulfinyl)phenyl]methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[[4-(2-methoxypyrimidin-5-yl)phenyl]methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide is sourced from PubChem (CID 157075396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).