5-amino-N-[(4-cyano-3-methylphenyl)methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[(1-methylindol-5-yl)methyl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[(2-methyl-4-pyridinyl)methyl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[(4-quinolin-8-ylphenyl)methyl]thieno[2,3-c]pyridazine-6-carboxamide;tert-butyl 3-[[(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)amino]methyl]azetidine-1-carboxylate

C96H99N25O7S5 — CID 159567309

IUPAC5-amino-N-[(4-cyano-3-methylphenyl)methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[(1-methylindol-5-yl)methyl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[(2-methyl-4-pyridinyl)methyl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[(4-quinolin-8-ylphenyl)methyl]thieno[2,3-c]pyridazine-6-carboxamide;tert-butyl 3-[[(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)amino]methyl]azetidine-1-carboxylate
SMILESCc1cc(CNC(=O)c2sc3nnc(C)c(C)c3c2N)ccc1C#N.Cc1cc(CNC(=O)c2sc3nnc(C)c(C)c3c2N)ccn1.Cc1nnc2sc(C(=O)NCC3CN(C(=O)OC(C)(C)C)C3)c(N)c2c1C.Cc1nnc2sc(C(=O)NCc3ccc(-c4cccc5cccnc45)cc3)c(N)c2c1C.Cc1nnc2sc(C(=O)NCc3ccc4c(ccn4C)c3)c(N)c2c1C
InChIInChI=1S/C25H21N5OS.C19H19N5OS.C18H25N5O3S.C18H17N5OS.C16H17N5OS/c1-14-15(2)29-30-25-20(14)21(26)23(32-25)24(31)28-13-16-8-10-17(11-9-16)19-7-3-5-18-6-4-12-27-22(18)19;1-10-11(2)22-23-19-15(10)16(20)17(26-19)18(25)21-9-12-4-5-14-13(8-12)6-7-24(14)3;1-9-10(2)21-22-16-12(9)13(19)14(27-16)15(24)20-6-11-7-23(8-11)17(25)26-18(3,4)5;1-9-6-12(4-5-13(9)7-19)8-21-17(24)16-15(20)14-10(2)11(3)22-23-18(14)25-16;1-8-6-11(4-5-18-8)7-19-15(22)14-13(17)12-9(2)10(3)20-21-16(12)23-14/h3-12H,13,26H2,1-2H3,(H,28,31);4-8H,9,20H2,1-3H3,(H,21,25);11H,6-8,19H2,1-5H3,(H,20,24);4-6H,8,20H2,1-3H3,(H,21,24);4-6H,7,17H2,1-3H3,(H,19,22)
InChIKeyMHJCIGBRZMENNK-UHFFFAOYSA-N
MW1875.35 g/mol
LogP16.36
Rot. Bonds16

About 5-amino-N-[(4-cyano-3-methylphenyl)methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[(1-methylindol-5-yl)methyl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[(2-methyl-4-pyridinyl)methyl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[(4-quinolin-8-ylphenyl)methyl]thieno[2,3-c]pyridazine-6-carboxamide;tert-butyl 3-[[(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)amino]methyl]azetidine-1-carboxylate

5-amino-N-[(4-cyano-3-methylphenyl)methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[(1-methylindol-5-yl)methyl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[(2-methyl-4-pyridinyl)methyl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[(4-quinolin-8-ylphenyl)methyl]thieno[2,3-c]pyridazine-6-carboxamide;tert-butyl 3-[[(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)amino]methyl]azetidine-1-carboxylate (PubChem CID 159567309) has the molecular formula C96H99N25O7S5 and a molecular weight of 1875.35 g/mol. Its IUPAC name is 5-amino-N-[(4-cyano-3-methylphenyl)methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[(1-methylindol-5-yl)methyl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[(2-methyl-4-pyridinyl)methyl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[(4-quinolin-8-ylphenyl)methyl]thieno[2,3-c]pyridazine-6-carboxamide;tert-butyl 3-[[(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)amino]methyl]azetidine-1-carboxylate.

Molecular Properties

Compound Name5-amino-N-[(4-cyano-3-methylphenyl)methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[(1-methylindol-5-yl)methyl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[(2-methyl-4-pyridinyl)methyl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[(4-quinolin-8-ylphenyl)methyl]thieno[2,3-c]pyridazine-6-carboxamide;tert-butyl 3-[[(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)amino]methyl]azetidine-1-carboxylate
PubChem CID159567309
Molecular FormulaC96H99N25O7S5
Molecular Weight1875.35 g/mol
Exact Mass1873.68
IUPAC Name5-amino-N-[(4-cyano-3-methylphenyl)methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[(1-methylindol-5-yl)methyl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[(2-methyl-4-pyridinyl)methyl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[(4-quinolin-8-ylphenyl)methyl]thieno[2,3-c]pyridazine-6-carboxamide;tert-butyl 3-[[(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)amino]methyl]azetidine-1-carboxylate
SMILESCc1cc(CNC(=O)c2sc3nnc(C)c(C)c3c2N)ccc1C#N.Cc1cc(CNC(=O)c2sc3nnc(C)c(C)c3c2N)ccn1.Cc1nnc2sc(C(=O)NCC3CN(C(=O)OC(C)(C)C)C3)c(N)c2c1C.Cc1nnc2sc(C(=O)NCc3ccc(-c4cccc5cccnc45)cc3)c(N)c2c1C.Cc1nnc2sc(C(=O)NCc3ccc4c(ccn4C)c3)c(N)c2c1C
InChIInChI=1S/C25H21N5OS.C19H19N5OS.C18H25N5O3S.C18H17N5OS.C16H17N5OS/c1-14-15(2)29-30-25-20(14)21(26)23(32-25)24(31)28-13-16-8-10-17(11-9-16)19-7-3-5-18-6-4-12-27-22(18)19;1-10-11(2)22-23-19-15(10)16(20)17(26-19)18(25)21-9-12-4-5-14-13(8-12)6-7-24(14)3;1-9-10(2)21-22-16-12(9)13(19)14(27-16)15(24)20-6-11-7-23(8-11)17(25)26-18(3,4)5;1-9-6-12(4-5-13(9)7-19)8-21-17(24)16-15(20)14-10(2)11(3)22-23-18(14)25-16;1-8-6-11(4-5-18-8)7-19-15(22)14-13(17)12-9(2)10(3)20-21-16(12)23-14/h3-12H,13,26H2,1-2H3,(H,28,31);4-8H,9,20H2,1-3H3,(H,21,25);11H,6-8,19H2,1-5H3,(H,20,24);4-6H,8,20H2,1-3H3,(H,21,24);4-6H,7,17H2,1-3H3,(H,19,22)
InChIKeyMHJCIGBRZMENNK-UHFFFAOYSA-N
XLogP16.36
TPSA488.54 Ų
H-Bond Donors10
H-Bond Acceptors31
Rotatable Bonds16
Heavy Atoms133
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001875.35
LogP ≤ 516.36
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1031

Analyze 5-amino-N-[(4-cyano-3-methylphenyl)methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[(1-methylindol-5-yl)methyl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[(2-methyl-4-pyridinyl)methyl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[(4-quinolin-8-ylphenyl)methyl]thieno[2,3-c]pyridazine-6-carboxamide;tert-butyl 3-[[(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)amino]methyl]azetidine-1-carboxylate with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-amino-N-[(4-cyano-3-methylphenyl)methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[(1-methylindol-5-yl)methyl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[(2-methyl-4-pyridinyl)methyl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[(4-quinolin-8-ylphenyl)methyl]thieno[2,3-c]pyridazine-6-carboxamide;tert-butyl 3-[[(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)amino]methyl]azetidine-1-carboxylate?
The IUPAC name of 5-amino-N-[(4-cyano-3-methylphenyl)methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[(1-methylindol-5-yl)methyl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[(2-methyl-4-pyridinyl)methyl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[(4-quinolin-8-ylphenyl)methyl]thieno[2,3-c]pyridazine-6-carboxamide;tert-butyl 3-[[(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)amino]methyl]azetidine-1-carboxylate (CID 159567309) is 5-amino-N-[(4-cyano-3-methylphenyl)methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[(1-methylindol-5-yl)methyl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[(2-methyl-4-pyridinyl)methyl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[(4-quinolin-8-ylphenyl)methyl]thieno[2,3-c]pyridazine-6-carboxamide;tert-butyl 3-[[(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)amino]methyl]azetidine-1-carboxylate.
What is the SMILES notation for 5-amino-N-[(4-cyano-3-methylphenyl)methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[(1-methylindol-5-yl)methyl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[(2-methyl-4-pyridinyl)methyl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[(4-quinolin-8-ylphenyl)methyl]thieno[2,3-c]pyridazine-6-carboxamide;tert-butyl 3-[[(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)amino]methyl]azetidine-1-carboxylate?
The canonical SMILES for 5-amino-N-[(4-cyano-3-methylphenyl)methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[(1-methylindol-5-yl)methyl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[(2-methyl-4-pyridinyl)methyl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[(4-quinolin-8-ylphenyl)methyl]thieno[2,3-c]pyridazine-6-carboxamide;tert-butyl 3-[[(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)amino]methyl]azetidine-1-carboxylate is Cc1cc(CNC(=O)c2sc3nnc(C)c(C)c3c2N)ccc1C#N.Cc1cc(CNC(=O)c2sc3nnc(C)c(C)c3c2N)ccn1.Cc1nnc2sc(C(=O)NCC3CN(C(=O)OC(C)(C)C)C3)c(N)c2c1C.Cc1nnc2sc(C(=O)NCc3ccc(-c4cccc5cccnc45)cc3)c(N)c2c1C.Cc1nnc2sc(C(=O)NCc3ccc4c(ccn4C)c3)c(N)c2c1C.
What is the InChIKey of 5-amino-N-[(4-cyano-3-methylphenyl)methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[(1-methylindol-5-yl)methyl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[(2-methyl-4-pyridinyl)methyl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[(4-quinolin-8-ylphenyl)methyl]thieno[2,3-c]pyridazine-6-carboxamide;tert-butyl 3-[[(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)amino]methyl]azetidine-1-carboxylate?
The InChIKey is MHJCIGBRZMENNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21N5OS.C19H19N5OS.C18H25N5O3S.C18H17N5OS.C16H17N5OS/c1-14-15(2)29-30-25-20(14)21(26)23(32-25)24(31)28-13-16-8-10-17(11-9-16)19-7-3-5-18-6-4-12-27-22(18)19;1-10-11(2)22-23-19-15(10)16(20)17(26-19)18(25)21-9-12-4-5-14-13(8-12)6-7-24(14)3;1-9-10(2)21-22-16-12(9)13(19)14(27-16)15(24)20-6-11-7-23(8-11)17(25)26-18(3,4)5;1-9-6-12(4-5-13(9)7-19)8-21-17(24)16-15(20)14-10(2)11(3)22-23-18(14)25-16;1-8-6-11(4-5-18-8)7-19-15(22)14-13(17)12-9(2)10(3)20-21-16(12)23-14/h3-12H,13,26H2,1-2H3,(H,28,31);4-8H,9,20H2,1-3H3,(H,21,25);11H,6-8,19H2,1-5H3,(H,20,24);4-6H,8,20H2,1-3H3,(H,21,24);4-6H,7,17H2,1-3H3,(H,19,22).
What are the key properties of 5-amino-N-[(4-cyano-3-methylphenyl)methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[(1-methylindol-5-yl)methyl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[(2-methyl-4-pyridinyl)methyl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[(4-quinolin-8-ylphenyl)methyl]thieno[2,3-c]pyridazine-6-carboxamide;tert-butyl 3-[[(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)amino]methyl]azetidine-1-carboxylate?
5-amino-N-[(4-cyano-3-methylphenyl)methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[(1-methylindol-5-yl)methyl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[(2-methyl-4-pyridinyl)methyl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[(4-quinolin-8-ylphenyl)methyl]thieno[2,3-c]pyridazine-6-carboxamide;tert-butyl 3-[[(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)amino]methyl]azetidine-1-carboxylate has a molecular weight of 1875.35 g/mol, XLogP of 16.36, 16 rotatable bonds, 10 hydrogen bond donors, and 31 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-[(4-cyano-3-methylphenyl)methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[(1-methylindol-5-yl)methyl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[(2-methyl-4-pyridinyl)methyl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[(4-quinolin-8-ylphenyl)methyl]thieno[2,3-c]pyridazine-6-carboxamide;tert-butyl 3-[[(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)amino]methyl]azetidine-1-carboxylate is sourced from PubChem (CID 159567309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).