(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-(3-ethylpiperidin-1-yl)methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-(4-hydroxy-4-pyridin-4-ylpiperidin-1-yl)methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[4-(1-methylimidazol-2-yl)piperazin-1-yl]methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-(4-methylsulfonyl-1,4-diazepan-1-yl)methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-(2-phenylpyrrolidin-1-yl)methanone

C86H105N25O8S6 — CID 159481533

IUPAC(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-(3-ethylpiperidin-1-yl)methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-(4-hydroxy-4-pyridin-4-ylpiperidin-1-yl)methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[4-(1-methylimidazol-2-yl)piperazin-1-yl]methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-(4-methylsulfonyl-1,4-diazepan-1-yl)methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-(2-phenylpyrrolidin-1-yl)methanone
SMILESCCC1CCCN(C(=O)c2sc3nnc(C)c(C)c3c2N)C1.Cc1nnc2sc(C(=O)N3CCC(O)(c4ccncc4)CC3)c(N)c2c1C.Cc1nnc2sc(C(=O)N3CCCC3c3ccccc3)c(N)c2c1C.Cc1nnc2sc(C(=O)N3CCCN(S(C)(=O)=O)CC3)c(N)c2c1C.Cc1nnc2sc(C(=O)N3CCN(c4nccn4C)CC3)c(N)c2c1C
InChIInChI=1S/C19H21N5O2S.C19H20N4OS.C17H21N7OS.C16H22N4OS.C15H21N5O3S2/c1-11-12(2)22-23-17-14(11)15(20)16(27-17)18(25)24-9-5-19(26,6-10-24)13-3-7-21-8-4-13;1-11-12(2)21-22-18-15(11)16(20)17(25-18)19(24)23-10-6-9-14(23)13-7-4-3-5-8-13;1-10-11(2)20-21-15-12(10)13(18)14(26-15)16(25)23-6-8-24(9-7-23)17-19-4-5-22(17)3;1-4-11-6-5-7-20(8-11)16(21)14-13(17)12-9(2)10(3)18-19-15(12)22-14;1-9-10(2)17-18-14-11(9)12(16)13(24-14)15(21)19-5-4-6-20(8-7-19)25(3,22)23/h3-4,7-8,26H,5-6,9-10,20H2,1-2H3;3-5,7-8,14H,6,9-10,20H2,1-2H3;4-5H,6-9,18H2,1-3H3;11H,4-8,17H2,1-3H3;4-8,16H2,1-3H3
InChIKeyLXBHZJYQUSZXMK-UHFFFAOYSA-N
MW1809.35 g/mol
LogP12.01
Rot. Bonds10

About (5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-(3-ethylpiperidin-1-yl)methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-(4-hydroxy-4-pyridin-4-ylpiperidin-1-yl)methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[4-(1-methylimidazol-2-yl)piperazin-1-yl]methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-(4-methylsulfonyl-1,4-diazepan-1-yl)methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-(2-phenylpyrrolidin-1-yl)methanone

(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-(3-ethylpiperidin-1-yl)methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-(4-hydroxy-4-pyridin-4-ylpiperidin-1-yl)methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[4-(1-methylimidazol-2-yl)piperazin-1-yl]methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-(4-methylsulfonyl-1,4-diazepan-1-yl)methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-(2-phenylpyrrolidin-1-yl)methanone (PubChem CID 159481533) has the molecular formula C86H105N25O8S6 and a molecular weight of 1809.35 g/mol. Its IUPAC name is (5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-(3-ethylpiperidin-1-yl)methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-(4-hydroxy-4-pyridin-4-ylpiperidin-1-yl)methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[4-(1-methylimidazol-2-yl)piperazin-1-yl]methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-(4-methylsulfonyl-1,4-diazepan-1-yl)methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-(2-phenylpyrrolidin-1-yl)methanone.

Molecular Properties

Compound Name(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-(3-ethylpiperidin-1-yl)methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-(4-hydroxy-4-pyridin-4-ylpiperidin-1-yl)methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[4-(1-methylimidazol-2-yl)piperazin-1-yl]methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-(4-methylsulfonyl-1,4-diazepan-1-yl)methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-(2-phenylpyrrolidin-1-yl)methanone
PubChem CID159481533
Molecular FormulaC86H105N25O8S6
Molecular Weight1809.35 g/mol
Exact Mass1807.69
IUPAC Name(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-(3-ethylpiperidin-1-yl)methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-(4-hydroxy-4-pyridin-4-ylpiperidin-1-yl)methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[4-(1-methylimidazol-2-yl)piperazin-1-yl]methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-(4-methylsulfonyl-1,4-diazepan-1-yl)methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-(2-phenylpyrrolidin-1-yl)methanone
SMILESCCC1CCCN(C(=O)c2sc3nnc(C)c(C)c3c2N)C1.Cc1nnc2sc(C(=O)N3CCC(O)(c4ccncc4)CC3)c(N)c2c1C.Cc1nnc2sc(C(=O)N3CCCC3c3ccccc3)c(N)c2c1C.Cc1nnc2sc(C(=O)N3CCCN(S(C)(=O)=O)CC3)c(N)c2c1C.Cc1nnc2sc(C(=O)N3CCN(c4nccn4C)CC3)c(N)c2c1C
InChIInChI=1S/C19H21N5O2S.C19H20N4OS.C17H21N7OS.C16H22N4OS.C15H21N5O3S2/c1-11-12(2)22-23-17-14(11)15(20)16(27-17)18(25)24-9-5-19(26,6-10-24)13-3-7-21-8-4-13;1-11-12(2)21-22-18-15(11)16(20)17(25-18)19(24)23-10-6-9-14(23)13-7-4-3-5-8-13;1-10-11(2)20-21-15-12(10)13(18)14(26-15)16(25)23-6-8-24(9-7-23)17-19-4-5-22(17)3;1-4-11-6-5-7-20(8-11)16(21)14-13(17)12-9(2)10(3)18-19-15(12)22-14;1-9-10(2)17-18-14-11(9)12(16)13(24-14)15(21)19-5-4-6-20(8-7-19)25(3,22)23/h3-4,7-8,26H,5-6,9-10,20H2,1-2H3;3-5,7-8,14H,6,9-10,20H2,1-2H3;4-5H,6-9,18H2,1-3H3;11H,4-8,17H2,1-3H3;4-8,16H2,1-3H3
InChIKeyLXBHZJYQUSZXMK-UHFFFAOYSA-N
XLogP12.01
TPSA452.11 Ų
H-Bond Donors6
H-Bond Acceptors32
Rotatable Bonds10
Heavy Atoms125
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001809.35
LogP ≤ 512.01
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1032

Analyze (5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-(3-ethylpiperidin-1-yl)methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-(4-hydroxy-4-pyridin-4-ylpiperidin-1-yl)methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[4-(1-methylimidazol-2-yl)piperazin-1-yl]methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-(4-methylsulfonyl-1,4-diazepan-1-yl)methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-(2-phenylpyrrolidin-1-yl)methanone with MolForge

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Launch Full Analysis

Related Compounds

(5-Amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-(4-phenyl-1,4-diazepan-1-yl)methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-(4-pyridin-4-ylpiperazin-1-yl)methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-(4-pyridin-4-ylpiperidin-1-yl)methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone
CID 157308128
(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-(3-ethylpiperazin-1-yl)methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-(4-hydroxy-4-pyridin-4-ylpiperidin-1-yl)methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[4-(1-methylpyrrol-2-yl)piperazin-1-yl]methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-(4-phenyl-1,4-diazepan-1-yl)methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[4-(3H-pyrrol-2-yl)piperazin-1-yl]methanone
CID 158204153

Frequently Asked Questions

What is the IUPAC name of (5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-(3-ethylpiperidin-1-yl)methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-(4-hydroxy-4-pyridin-4-ylpiperidin-1-yl)methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[4-(1-methylimidazol-2-yl)piperazin-1-yl]methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-(4-methylsulfonyl-1,4-diazepan-1-yl)methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-(2-phenylpyrrolidin-1-yl)methanone?
The IUPAC name of (5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-(3-ethylpiperidin-1-yl)methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-(4-hydroxy-4-pyridin-4-ylpiperidin-1-yl)methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[4-(1-methylimidazol-2-yl)piperazin-1-yl]methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-(4-methylsulfonyl-1,4-diazepan-1-yl)methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-(2-phenylpyrrolidin-1-yl)methanone (CID 159481533) is (5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-(3-ethylpiperidin-1-yl)methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-(4-hydroxy-4-pyridin-4-ylpiperidin-1-yl)methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[4-(1-methylimidazol-2-yl)piperazin-1-yl]methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-(4-methylsulfonyl-1,4-diazepan-1-yl)methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-(2-phenylpyrrolidin-1-yl)methanone.
What is the SMILES notation for (5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-(3-ethylpiperidin-1-yl)methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-(4-hydroxy-4-pyridin-4-ylpiperidin-1-yl)methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[4-(1-methylimidazol-2-yl)piperazin-1-yl]methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-(4-methylsulfonyl-1,4-diazepan-1-yl)methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-(2-phenylpyrrolidin-1-yl)methanone?
The canonical SMILES for (5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-(3-ethylpiperidin-1-yl)methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-(4-hydroxy-4-pyridin-4-ylpiperidin-1-yl)methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[4-(1-methylimidazol-2-yl)piperazin-1-yl]methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-(4-methylsulfonyl-1,4-diazepan-1-yl)methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-(2-phenylpyrrolidin-1-yl)methanone is CCC1CCCN(C(=O)c2sc3nnc(C)c(C)c3c2N)C1.Cc1nnc2sc(C(=O)N3CCC(O)(c4ccncc4)CC3)c(N)c2c1C.Cc1nnc2sc(C(=O)N3CCCC3c3ccccc3)c(N)c2c1C.Cc1nnc2sc(C(=O)N3CCCN(S(C)(=O)=O)CC3)c(N)c2c1C.Cc1nnc2sc(C(=O)N3CCN(c4nccn4C)CC3)c(N)c2c1C.
What is the InChIKey of (5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-(3-ethylpiperidin-1-yl)methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-(4-hydroxy-4-pyridin-4-ylpiperidin-1-yl)methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[4-(1-methylimidazol-2-yl)piperazin-1-yl]methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-(4-methylsulfonyl-1,4-diazepan-1-yl)methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-(2-phenylpyrrolidin-1-yl)methanone?
The InChIKey is LXBHZJYQUSZXMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O2S.C19H20N4OS.C17H21N7OS.C16H22N4OS.C15H21N5O3S2/c1-11-12(2)22-23-17-14(11)15(20)16(27-17)18(25)24-9-5-19(26,6-10-24)13-3-7-21-8-4-13;1-11-12(2)21-22-18-15(11)16(20)17(25-18)19(24)23-10-6-9-14(23)13-7-4-3-5-8-13;1-10-11(2)20-21-15-12(10)13(18)14(26-15)16(25)23-6-8-24(9-7-23)17-19-4-5-22(17)3;1-4-11-6-5-7-20(8-11)16(21)14-13(17)12-9(2)10(3)18-19-15(12)22-14;1-9-10(2)17-18-14-11(9)12(16)13(24-14)15(21)19-5-4-6-20(8-7-19)25(3,22)23/h3-4,7-8,26H,5-6,9-10,20H2,1-2H3;3-5,7-8,14H,6,9-10,20H2,1-2H3;4-5H,6-9,18H2,1-3H3;11H,4-8,17H2,1-3H3;4-8,16H2,1-3H3.
What are the key properties of (5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-(3-ethylpiperidin-1-yl)methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-(4-hydroxy-4-pyridin-4-ylpiperidin-1-yl)methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[4-(1-methylimidazol-2-yl)piperazin-1-yl]methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-(4-methylsulfonyl-1,4-diazepan-1-yl)methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-(2-phenylpyrrolidin-1-yl)methanone?
(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-(3-ethylpiperidin-1-yl)methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-(4-hydroxy-4-pyridin-4-ylpiperidin-1-yl)methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[4-(1-methylimidazol-2-yl)piperazin-1-yl]methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-(4-methylsulfonyl-1,4-diazepan-1-yl)methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-(2-phenylpyrrolidin-1-yl)methanone has a molecular weight of 1809.35 g/mol, XLogP of 12.01, 10 rotatable bonds, 6 hydrogen bond donors, and 32 hydrogen bond acceptors.
Where does this data come from?
All data for (5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-(3-ethylpiperidin-1-yl)methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-(4-hydroxy-4-pyridin-4-ylpiperidin-1-yl)methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[4-(1-methylimidazol-2-yl)piperazin-1-yl]methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-(4-methylsulfonyl-1,4-diazepan-1-yl)methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-(2-phenylpyrrolidin-1-yl)methanone is sourced from PubChem (CID 159481533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).