5-amino-N-(1,3-benzodioxol-5-ylmethyl)-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[1-(2-chlorophenyl)pyrrolidin-3-yl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-cyclopropyl-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[1-(2-methylphenyl)pyrrolidin-3-yl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[1-(3-methylphenyl)pyrrolidin-3-yl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-(pyridin-2-ylmethyl)thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-(pyridin-4-ylmethyl)thieno[2,3-c]pyridazine-6-carboxamide;phenyl (1S,4R)-5-(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)-2,5-diazabicyclo[2.2.1]heptane-2-carboxylate

C139H147ClN38O12S8 — CID 158040383

IUPAC5-amino-N-(1,3-benzodioxol-5-ylmethyl)-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[1-(2-chlorophenyl)pyrrolidin-3-yl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-cyclopropyl-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[1-(2-methylphenyl)pyrrolidin-3-yl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[1-(3-methylphenyl)pyrrolidin-3-yl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-(pyridin-2-ylmethyl)thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-(pyridin-4-ylmethyl)thieno[2,3-c]pyridazine-6-carboxamide;phenyl (1S,4R)-5-(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)-2,5-diazabicyclo[2.2.1]heptane-2-carboxylate
SMILESCc1cccc(N2CCC(NC(=O)c3sc4nnc(C)c(C)c4c3N)C2)c1.Cc1ccccc1N1CCC(NC(=O)c2sc3nnc(C)c(C)c3c2N)C1.Cc1nnc2sc(C(=O)N3C[C@@H]4C[C@@H]3CN4C(=O)Oc3ccccc3)c(N)c2c1C.Cc1nnc2sc(C(=O)NC3CC3)c(N)c2c1C.Cc1nnc2sc(C(=O)NC3CCN(c4ccccc4Cl)C3)c(N)c2c1C.Cc1nnc2sc(C(=O)NCc3ccc4c(c3)OCO4)c(N)c2c1C.Cc1nnc2sc(C(=O)NCc3ccccn3)c(N)c2c1C.Cc1nnc2sc(C(=O)NCc3ccncc3)c(N)c2c1C
InChIInChI=1S/C21H21N5O3S.2C20H23N5OS.C19H20ClN5OS.C17H16N4O3S.2C15H15N5OS.C12H14N4OS/c1-11-12(2)23-24-19-16(11)17(22)18(30-19)20(27)25-9-14-8-13(25)10-26(14)21(28)29-15-6-4-3-5-7-15;1-11-5-4-6-15(9-11)25-8-7-14(10-25)22-19(26)18-17(21)16-12(2)13(3)23-24-20(16)27-18;1-11-6-4-5-7-15(11)25-9-8-14(10-25)22-19(26)18-17(21)16-12(2)13(3)23-24-20(16)27-18;1-10-11(2)23-24-19-15(10)16(21)17(27-19)18(26)22-12-7-8-25(9-12)14-6-4-3-5-13(14)20;1-8-9(2)20-21-17-13(8)14(18)15(25-17)16(22)19-6-10-3-4-11-12(5-10)24-7-23-11;1-8-9(2)19-20-15-11(8)12(16)13(22-15)14(21)18-7-10-3-5-17-6-4-10;1-8-9(2)19-20-15-11(8)12(16)13(22-15)14(21)18-7-10-5-3-4-6-17-10;1-5-6(2)15-16-12-8(5)9(13)10(18-12)11(17)14-7-3-4-7/h3-7,13-14H,8-10,22H2,1-2H3;4-6,9,14H,7-8,10,21H2,1-3H3,(H,22,26);4-7,14H,8-10,21H2,1-3H3,(H,22,26);3-6,12H,7-9,21H2,1-2H3,(H,22,26);3-5H,6-7,18H2,1-2H3,(H,19,22);2*3-6H,7,16H2,1-2H3,(H,18,21);7H,3-4,13H2,1-2H3,(H,14,17)/t13-,14+;;;;;;;/m1......./s1
InChIKeyFIGYNZWVZQFZPD-WWIXQGJPSA-N
MW2833.95 g/mol
LogP21.72
Rot. Bonds22

About 5-amino-N-(1,3-benzodioxol-5-ylmethyl)-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[1-(2-chlorophenyl)pyrrolidin-3-yl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-cyclopropyl-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[1-(2-methylphenyl)pyrrolidin-3-yl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[1-(3-methylphenyl)pyrrolidin-3-yl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-(pyridin-2-ylmethyl)thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-(pyridin-4-ylmethyl)thieno[2,3-c]pyridazine-6-carboxamide;phenyl (1S,4R)-5-(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)-2,5-diazabicyclo[2.2.1]heptane-2-carboxylate

5-amino-N-(1,3-benzodioxol-5-ylmethyl)-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[1-(2-chlorophenyl)pyrrolidin-3-yl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-cyclopropyl-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[1-(2-methylphenyl)pyrrolidin-3-yl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[1-(3-methylphenyl)pyrrolidin-3-yl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-(pyridin-2-ylmethyl)thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-(pyridin-4-ylmethyl)thieno[2,3-c]pyridazine-6-carboxamide;phenyl (1S,4R)-5-(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)-2,5-diazabicyclo[2.2.1]heptane-2-carboxylate (PubChem CID 158040383) has the molecular formula C139H147ClN38O12S8 and a molecular weight of 2833.95 g/mol. Its IUPAC name is 5-amino-N-(1,3-benzodioxol-5-ylmethyl)-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[1-(2-chlorophenyl)pyrrolidin-3-yl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-cyclopropyl-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[1-(2-methylphenyl)pyrrolidin-3-yl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[1-(3-methylphenyl)pyrrolidin-3-yl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-(pyridin-2-ylmethyl)thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-(pyridin-4-ylmethyl)thieno[2,3-c]pyridazine-6-carboxamide;phenyl (1S,4R)-5-(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)-2,5-diazabicyclo[2.2.1]heptane-2-carboxylate.

Molecular Properties

Compound Name5-amino-N-(1,3-benzodioxol-5-ylmethyl)-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[1-(2-chlorophenyl)pyrrolidin-3-yl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-cyclopropyl-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[1-(2-methylphenyl)pyrrolidin-3-yl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[1-(3-methylphenyl)pyrrolidin-3-yl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-(pyridin-2-ylmethyl)thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-(pyridin-4-ylmethyl)thieno[2,3-c]pyridazine-6-carboxamide;phenyl (1S,4R)-5-(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)-2,5-diazabicyclo[2.2.1]heptane-2-carboxylate
PubChem CID158040383
Molecular FormulaC139H147ClN38O12S8
Molecular Weight2833.95 g/mol
Exact Mass2830.95
IUPAC Name5-amino-N-(1,3-benzodioxol-5-ylmethyl)-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[1-(2-chlorophenyl)pyrrolidin-3-yl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-cyclopropyl-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[1-(2-methylphenyl)pyrrolidin-3-yl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[1-(3-methylphenyl)pyrrolidin-3-yl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-(pyridin-2-ylmethyl)thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-(pyridin-4-ylmethyl)thieno[2,3-c]pyridazine-6-carboxamide;phenyl (1S,4R)-5-(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)-2,5-diazabicyclo[2.2.1]heptane-2-carboxylate
SMILESCc1cccc(N2CCC(NC(=O)c3sc4nnc(C)c(C)c4c3N)C2)c1.Cc1ccccc1N1CCC(NC(=O)c2sc3nnc(C)c(C)c3c2N)C1.Cc1nnc2sc(C(=O)N3C[C@@H]4C[C@@H]3CN4C(=O)Oc3ccccc3)c(N)c2c1C.Cc1nnc2sc(C(=O)NC3CC3)c(N)c2c1C.Cc1nnc2sc(C(=O)NC3CCN(c4ccccc4Cl)C3)c(N)c2c1C.Cc1nnc2sc(C(=O)NCc3ccc4c(c3)OCO4)c(N)c2c1C.Cc1nnc2sc(C(=O)NCc3ccccn3)c(N)c2c1C.Cc1nnc2sc(C(=O)NCc3ccncc3)c(N)c2c1C
InChIInChI=1S/C21H21N5O3S.2C20H23N5OS.C19H20ClN5OS.C17H16N4O3S.2C15H15N5OS.C12H14N4OS/c1-11-12(2)23-24-19-16(11)17(22)18(30-19)20(27)25-9-14-8-13(25)10-26(14)21(28)29-15-6-4-3-5-7-15;1-11-5-4-6-15(9-11)25-8-7-14(10-25)22-19(26)18-17(21)16-12(2)13(3)23-24-20(16)27-18;1-11-6-4-5-7-15(11)25-9-8-14(10-25)22-19(26)18-17(21)16-12(2)13(3)23-24-20(16)27-18;1-10-11(2)23-24-19-15(10)16(21)17(27-19)18(26)22-12-7-8-25(9-12)14-6-4-3-5-13(14)20;1-8-9(2)20-21-17-13(8)14(18)15(25-17)16(22)19-6-10-3-4-11-12(5-10)24-7-23-11;1-8-9(2)19-20-15-11(8)12(16)13(22-15)14(21)18-7-10-3-5-17-6-4-10;1-8-9(2)19-20-15-11(8)12(16)13(22-15)14(21)18-7-10-5-3-4-6-17-10;1-5-6(2)15-16-12-8(5)9(13)10(18-12)11(17)14-7-3-4-7/h3-7,13-14H,8-10,22H2,1-2H3;4-6,9,14H,7-8,10,21H2,1-3H3,(H,22,26);4-7,14H,8-10,21H2,1-3H3,(H,22,26);3-6,12H,7-9,21H2,1-2H3,(H,22,26);3-5H,6-7,18H2,1-2H3,(H,19,22);2*3-6H,7,16H2,1-2H3,(H,18,21);7H,3-4,13H2,1-2H3,(H,14,17)/t13-,14+;;;;;;;/m1......./s1
InChIKeyFIGYNZWVZQFZPD-WWIXQGJPSA-N
XLogP21.72
TPSA721.91 Ų
H-Bond Donors15
H-Bond Acceptors49
Rotatable Bonds22
Heavy Atoms198
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002833.95
LogP ≤ 521.72
H-Bond Donors ≤ 515
H-Bond Acceptors ≤ 1049

Analyze 5-amino-N-(1,3-benzodioxol-5-ylmethyl)-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[1-(2-chlorophenyl)pyrrolidin-3-yl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-cyclopropyl-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[1-(2-methylphenyl)pyrrolidin-3-yl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[1-(3-methylphenyl)pyrrolidin-3-yl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-(pyridin-2-ylmethyl)thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-(pyridin-4-ylmethyl)thieno[2,3-c]pyridazine-6-carboxamide;phenyl (1S,4R)-5-(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)-2,5-diazabicyclo[2.2.1]heptane-2-carboxylate with MolForge

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Related Compounds

5-amino-3,4-dimethyl-N-[1-(2-methylphenyl)pyrrolidin-3-yl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-(pyridin-2-ylmethyl)thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-(pyridin-4-ylmethyl)thieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[(2-fluoro-3-methylphenyl)methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[(4-methoxyphenyl)methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[1-(2-methoxyphenyl)pyrrolidin-3-yl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;phenyl (1S,4R)-5-(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)-2,5-diazabicyclo[2.2.1]heptane-2-carboxylate
CID 158050414
5-amino-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[1-(2-methylphenyl)pyrrolidin-3-yl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[1-(3-methylphenyl)pyrrolidin-3-yl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-(pyridin-2-ylmethyl)thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-(pyridin-4-ylmethyl)thieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[(2-fluoro-3-methylphenyl)methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;phenyl (1S,4R)-5-(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)-2,5-diazabicyclo[2.2.1]heptane-2-carboxylate
CID 158095556
5-amino-N-(1,3-benzodioxol-5-ylmethyl)-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-cyclopropyl-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-(cyclopropylmethyl)-3,4-dimethylthieno[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-methylsulfonylphenyl)methyl]thieno[2,3-c]pyridazine-6-carboxamide
CID 159094906
5-amino-N-(1,3-benzodioxol-5-ylmethyl)-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-benzyl-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;bis(5-amino-3,4-dimethyl-N-[1-(3-methylphenyl)pyrrolidin-3-yl]thieno[2,3-c]pyridazine-6-carboxamide);5-amino-3,4-dimethyl-N-(pyrazin-2-ylmethyl)thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-(1-pyridin-4-ylpyrrolidin-3-yl)thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-(1,3-thiazol-2-ylmethyl)thieno[2,3-c]pyridazine-6-carboxamide;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[(1R,4S)-5-methylsulfonyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]methanone
CID 162064718

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(1,3-benzodioxol-5-ylmethyl)-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[1-(2-chlorophenyl)pyrrolidin-3-yl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-cyclopropyl-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[1-(2-methylphenyl)pyrrolidin-3-yl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[1-(3-methylphenyl)pyrrolidin-3-yl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-(pyridin-2-ylmethyl)thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-(pyridin-4-ylmethyl)thieno[2,3-c]pyridazine-6-carboxamide;phenyl (1S,4R)-5-(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)-2,5-diazabicyclo[2.2.1]heptane-2-carboxylate?
The IUPAC name of 5-amino-N-(1,3-benzodioxol-5-ylmethyl)-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[1-(2-chlorophenyl)pyrrolidin-3-yl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-cyclopropyl-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[1-(2-methylphenyl)pyrrolidin-3-yl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[1-(3-methylphenyl)pyrrolidin-3-yl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-(pyridin-2-ylmethyl)thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-(pyridin-4-ylmethyl)thieno[2,3-c]pyridazine-6-carboxamide;phenyl (1S,4R)-5-(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)-2,5-diazabicyclo[2.2.1]heptane-2-carboxylate (CID 158040383) is 5-amino-N-(1,3-benzodioxol-5-ylmethyl)-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[1-(2-chlorophenyl)pyrrolidin-3-yl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-cyclopropyl-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[1-(2-methylphenyl)pyrrolidin-3-yl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[1-(3-methylphenyl)pyrrolidin-3-yl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-(pyridin-2-ylmethyl)thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-(pyridin-4-ylmethyl)thieno[2,3-c]pyridazine-6-carboxamide;phenyl (1S,4R)-5-(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)-2,5-diazabicyclo[2.2.1]heptane-2-carboxylate.
What is the SMILES notation for 5-amino-N-(1,3-benzodioxol-5-ylmethyl)-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[1-(2-chlorophenyl)pyrrolidin-3-yl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-cyclopropyl-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[1-(2-methylphenyl)pyrrolidin-3-yl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[1-(3-methylphenyl)pyrrolidin-3-yl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-(pyridin-2-ylmethyl)thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-(pyridin-4-ylmethyl)thieno[2,3-c]pyridazine-6-carboxamide;phenyl (1S,4R)-5-(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)-2,5-diazabicyclo[2.2.1]heptane-2-carboxylate?
The canonical SMILES for 5-amino-N-(1,3-benzodioxol-5-ylmethyl)-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[1-(2-chlorophenyl)pyrrolidin-3-yl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-cyclopropyl-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[1-(2-methylphenyl)pyrrolidin-3-yl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[1-(3-methylphenyl)pyrrolidin-3-yl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-(pyridin-2-ylmethyl)thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-(pyridin-4-ylmethyl)thieno[2,3-c]pyridazine-6-carboxamide;phenyl (1S,4R)-5-(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)-2,5-diazabicyclo[2.2.1]heptane-2-carboxylate is Cc1cccc(N2CCC(NC(=O)c3sc4nnc(C)c(C)c4c3N)C2)c1.Cc1ccccc1N1CCC(NC(=O)c2sc3nnc(C)c(C)c3c2N)C1.Cc1nnc2sc(C(=O)N3C[C@@H]4C[C@@H]3CN4C(=O)Oc3ccccc3)c(N)c2c1C.Cc1nnc2sc(C(=O)NC3CC3)c(N)c2c1C.Cc1nnc2sc(C(=O)NC3CCN(c4ccccc4Cl)C3)c(N)c2c1C.Cc1nnc2sc(C(=O)NCc3ccc4c(c3)OCO4)c(N)c2c1C.Cc1nnc2sc(C(=O)NCc3ccccn3)c(N)c2c1C.Cc1nnc2sc(C(=O)NCc3ccncc3)c(N)c2c1C.
What is the InChIKey of 5-amino-N-(1,3-benzodioxol-5-ylmethyl)-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[1-(2-chlorophenyl)pyrrolidin-3-yl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-cyclopropyl-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[1-(2-methylphenyl)pyrrolidin-3-yl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[1-(3-methylphenyl)pyrrolidin-3-yl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-(pyridin-2-ylmethyl)thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-(pyridin-4-ylmethyl)thieno[2,3-c]pyridazine-6-carboxamide;phenyl (1S,4R)-5-(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)-2,5-diazabicyclo[2.2.1]heptane-2-carboxylate?
The InChIKey is FIGYNZWVZQFZPD-WWIXQGJPSA-N. The full InChI is InChI=1S/C21H21N5O3S.2C20H23N5OS.C19H20ClN5OS.C17H16N4O3S.2C15H15N5OS.C12H14N4OS/c1-11-12(2)23-24-19-16(11)17(22)18(30-19)20(27)25-9-14-8-13(25)10-26(14)21(28)29-15-6-4-3-5-7-15;1-11-5-4-6-15(9-11)25-8-7-14(10-25)22-19(26)18-17(21)16-12(2)13(3)23-24-20(16)27-18;1-11-6-4-5-7-15(11)25-9-8-14(10-25)22-19(26)18-17(21)16-12(2)13(3)23-24-20(16)27-18;1-10-11(2)23-24-19-15(10)16(21)17(27-19)18(26)22-12-7-8-25(9-12)14-6-4-3-5-13(14)20;1-8-9(2)20-21-17-13(8)14(18)15(25-17)16(22)19-6-10-3-4-11-12(5-10)24-7-23-11;1-8-9(2)19-20-15-11(8)12(16)13(22-15)14(21)18-7-10-3-5-17-6-4-10;1-8-9(2)19-20-15-11(8)12(16)13(22-15)14(21)18-7-10-5-3-4-6-17-10;1-5-6(2)15-16-12-8(5)9(13)10(18-12)11(17)14-7-3-4-7/h3-7,13-14H,8-10,22H2,1-2H3;4-6,9,14H,7-8,10,21H2,1-3H3,(H,22,26);4-7,14H,8-10,21H2,1-3H3,(H,22,26);3-6,12H,7-9,21H2,1-2H3,(H,22,26);3-5H,6-7,18H2,1-2H3,(H,19,22);2*3-6H,7,16H2,1-2H3,(H,18,21);7H,3-4,13H2,1-2H3,(H,14,17)/t13-,14+;;;;;;;/m1......./s1.
What are the key properties of 5-amino-N-(1,3-benzodioxol-5-ylmethyl)-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[1-(2-chlorophenyl)pyrrolidin-3-yl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-cyclopropyl-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[1-(2-methylphenyl)pyrrolidin-3-yl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[1-(3-methylphenyl)pyrrolidin-3-yl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-(pyridin-2-ylmethyl)thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-(pyridin-4-ylmethyl)thieno[2,3-c]pyridazine-6-carboxamide;phenyl (1S,4R)-5-(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)-2,5-diazabicyclo[2.2.1]heptane-2-carboxylate?
5-amino-N-(1,3-benzodioxol-5-ylmethyl)-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[1-(2-chlorophenyl)pyrrolidin-3-yl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-cyclopropyl-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[1-(2-methylphenyl)pyrrolidin-3-yl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[1-(3-methylphenyl)pyrrolidin-3-yl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-(pyridin-2-ylmethyl)thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-(pyridin-4-ylmethyl)thieno[2,3-c]pyridazine-6-carboxamide;phenyl (1S,4R)-5-(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)-2,5-diazabicyclo[2.2.1]heptane-2-carboxylate has a molecular weight of 2833.95 g/mol, XLogP of 21.72, 22 rotatable bonds, 15 hydrogen bond donors, and 49 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-(1,3-benzodioxol-5-ylmethyl)-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[1-(2-chlorophenyl)pyrrolidin-3-yl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-cyclopropyl-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[1-(2-methylphenyl)pyrrolidin-3-yl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[1-(3-methylphenyl)pyrrolidin-3-yl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-(pyridin-2-ylmethyl)thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-(pyridin-4-ylmethyl)thieno[2,3-c]pyridazine-6-carboxamide;phenyl (1S,4R)-5-(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)-2,5-diazabicyclo[2.2.1]heptane-2-carboxylate is sourced from PubChem (CID 158040383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).