(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[3-fluoro-3-[4-(1-methylpyrazol-4-yl)phenyl]azetidin-1-yl]methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[3-fluoro-3-(4-pyridin-3-ylphenyl)azetidin-1-yl]methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[3-fluoro-3-(4-pyridin-4-ylphenyl)azetidin-1-yl]methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[3-(furan-2-ylmethylamino)azetidin-1-yl]methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[3-(3-methylbutylamino)azetidin-1-yl]methanone

C102H105F3N26O6S5 — CID 160768938

IUPAC(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[3-fluoro-3-[4-(1-methylpyrazol-4-yl)phenyl]azetidin-1-yl]methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[3-fluoro-3-(4-pyridin-3-ylphenyl)azetidin-1-yl]methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[3-fluoro-3-(4-pyridin-4-ylphenyl)azetidin-1-yl]methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[3-(furan-2-ylmethylamino)azetidin-1-yl]methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[3-(3-methylbutylamino)azetidin-1-yl]methanone
SMILESCc1nnc2sc(C(=O)N3CC(F)(c4ccc(-c5cccnc5)cc4)C3)c(N)c2c1C.Cc1nnc2sc(C(=O)N3CC(F)(c4ccc(-c5ccncc5)cc4)C3)c(N)c2c1C.Cc1nnc2sc(C(=O)N3CC(F)(c4ccc(-c5cnn(C)c5)cc4)C3)c(N)c2c1C.Cc1nnc2sc(C(=O)N3CC(NCCC(C)C)C3)c(N)c2c1C.Cc1nnc2sc(C(=O)N3CC(NCc4ccco4)C3)c(N)c2c1C
InChIInChI=1S/2C23H20FN5OS.C22H21FN6OS.C17H19N5O2S.C17H25N5OS/c1-13-14(2)27-28-21-18(13)19(25)20(31-21)22(30)29-11-23(24,12-29)17-5-3-15(4-6-17)16-7-9-26-10-8-16;1-13-14(2)27-28-21-18(13)19(25)20(31-21)22(30)29-11-23(24,12-29)17-7-5-15(6-8-17)16-4-3-9-26-10-16;1-12-13(2)26-27-20-17(12)18(24)19(31-20)21(30)29-10-22(23,11-29)16-6-4-14(5-7-16)15-8-25-28(3)9-15;1-9-10(2)20-21-16-13(9)14(18)15(25-16)17(23)22-7-11(8-22)19-6-12-4-3-5-24-12;1-9(2)5-6-19-12-7-22(8-12)17(23)15-14(18)13-10(3)11(4)20-21-16(13)24-15/h2*3-10H,11-12,25H2,1-2H3;4-9H,10-11,24H2,1-3H3;3-5,11,19H,6-8,18H2,1-2H3;9,12,19H,5-8,18H2,1-4H3
InChIKeyRZAZHTGYMFAMGV-UHFFFAOYSA-N
MW2008.47 g/mol
LogP16.61
Rot. Bonds18

About (5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[3-fluoro-3-[4-(1-methylpyrazol-4-yl)phenyl]azetidin-1-yl]methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[3-fluoro-3-(4-pyridin-3-ylphenyl)azetidin-1-yl]methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[3-fluoro-3-(4-pyridin-4-ylphenyl)azetidin-1-yl]methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[3-(furan-2-ylmethylamino)azetidin-1-yl]methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[3-(3-methylbutylamino)azetidin-1-yl]methanone

(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[3-fluoro-3-[4-(1-methylpyrazol-4-yl)phenyl]azetidin-1-yl]methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[3-fluoro-3-(4-pyridin-3-ylphenyl)azetidin-1-yl]methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[3-fluoro-3-(4-pyridin-4-ylphenyl)azetidin-1-yl]methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[3-(furan-2-ylmethylamino)azetidin-1-yl]methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[3-(3-methylbutylamino)azetidin-1-yl]methanone (PubChem CID 160768938) has the molecular formula C102H105F3N26O6S5 and a molecular weight of 2008.47 g/mol. Its IUPAC name is (5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[3-fluoro-3-[4-(1-methylpyrazol-4-yl)phenyl]azetidin-1-yl]methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[3-fluoro-3-(4-pyridin-3-ylphenyl)azetidin-1-yl]methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[3-fluoro-3-(4-pyridin-4-ylphenyl)azetidin-1-yl]methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[3-(furan-2-ylmethylamino)azetidin-1-yl]methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[3-(3-methylbutylamino)azetidin-1-yl]methanone.

Molecular Properties

Compound Name(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[3-fluoro-3-[4-(1-methylpyrazol-4-yl)phenyl]azetidin-1-yl]methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[3-fluoro-3-(4-pyridin-3-ylphenyl)azetidin-1-yl]methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[3-fluoro-3-(4-pyridin-4-ylphenyl)azetidin-1-yl]methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[3-(furan-2-ylmethylamino)azetidin-1-yl]methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[3-(3-methylbutylamino)azetidin-1-yl]methanone
PubChem CID160768938
Molecular FormulaC102H105F3N26O6S5
Molecular Weight2008.47 g/mol
Exact Mass2006.73
IUPAC Name(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[3-fluoro-3-[4-(1-methylpyrazol-4-yl)phenyl]azetidin-1-yl]methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[3-fluoro-3-(4-pyridin-3-ylphenyl)azetidin-1-yl]methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[3-fluoro-3-(4-pyridin-4-ylphenyl)azetidin-1-yl]methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[3-(furan-2-ylmethylamino)azetidin-1-yl]methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[3-(3-methylbutylamino)azetidin-1-yl]methanone
SMILESCc1nnc2sc(C(=O)N3CC(F)(c4ccc(-c5cccnc5)cc4)C3)c(N)c2c1C.Cc1nnc2sc(C(=O)N3CC(F)(c4ccc(-c5ccncc5)cc4)C3)c(N)c2c1C.Cc1nnc2sc(C(=O)N3CC(F)(c4ccc(-c5cnn(C)c5)cc4)C3)c(N)c2c1C.Cc1nnc2sc(C(=O)N3CC(NCCC(C)C)C3)c(N)c2c1C.Cc1nnc2sc(C(=O)N3CC(NCc4ccco4)C3)c(N)c2c1C
InChIInChI=1S/2C23H20FN5OS.C22H21FN6OS.C17H19N5O2S.C17H25N5OS/c1-13-14(2)27-28-21-18(13)19(25)20(31-21)22(30)29-11-23(24,12-29)17-5-3-15(4-6-17)16-7-9-26-10-8-16;1-13-14(2)27-28-21-18(13)19(25)20(31-21)22(30)29-11-23(24,12-29)17-7-5-15(6-8-17)16-4-3-9-26-10-16;1-12-13(2)26-27-20-17(12)18(24)19(31-20)21(30)29-10-22(23,11-29)16-6-4-14(5-7-16)15-8-25-28(3)9-15;1-9-10(2)20-21-16-13(9)14(18)15(25-16)17(23)22-7-11(8-22)19-6-12-4-3-5-24-12;1-9(2)5-6-19-12-7-22(8-12)17(23)15-14(18)13-10(3)11(4)20-21-16(13)24-15/h2*3-10H,11-12,25H2,1-2H3;4-9H,10-11,24H2,1-3H3;3-5,11,19H,6-8,18H2,1-2H3;9,12,19H,5-8,18H2,1-4H3
InChIKeyRZAZHTGYMFAMGV-UHFFFAOYSA-N
XLogP16.61
TPSA441.35 Ų
H-Bond Donors7
H-Bond Acceptors32
Rotatable Bonds18
Heavy Atoms142
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002008.47
LogP ≤ 516.61
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1032

Analyze (5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[3-fluoro-3-[4-(1-methylpyrazol-4-yl)phenyl]azetidin-1-yl]methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[3-fluoro-3-(4-pyridin-3-ylphenyl)azetidin-1-yl]methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[3-fluoro-3-(4-pyridin-4-ylphenyl)azetidin-1-yl]methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[3-(furan-2-ylmethylamino)azetidin-1-yl]methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[3-(3-methylbutylamino)azetidin-1-yl]methanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of (5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[3-fluoro-3-[4-(1-methylpyrazol-4-yl)phenyl]azetidin-1-yl]methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[3-fluoro-3-(4-pyridin-3-ylphenyl)azetidin-1-yl]methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[3-fluoro-3-(4-pyridin-4-ylphenyl)azetidin-1-yl]methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[3-(furan-2-ylmethylamino)azetidin-1-yl]methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[3-(3-methylbutylamino)azetidin-1-yl]methanone?
The IUPAC name of (5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[3-fluoro-3-[4-(1-methylpyrazol-4-yl)phenyl]azetidin-1-yl]methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[3-fluoro-3-(4-pyridin-3-ylphenyl)azetidin-1-yl]methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[3-fluoro-3-(4-pyridin-4-ylphenyl)azetidin-1-yl]methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[3-(furan-2-ylmethylamino)azetidin-1-yl]methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[3-(3-methylbutylamino)azetidin-1-yl]methanone (CID 160768938) is (5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[3-fluoro-3-[4-(1-methylpyrazol-4-yl)phenyl]azetidin-1-yl]methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[3-fluoro-3-(4-pyridin-3-ylphenyl)azetidin-1-yl]methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[3-fluoro-3-(4-pyridin-4-ylphenyl)azetidin-1-yl]methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[3-(furan-2-ylmethylamino)azetidin-1-yl]methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[3-(3-methylbutylamino)azetidin-1-yl]methanone.
What is the SMILES notation for (5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[3-fluoro-3-[4-(1-methylpyrazol-4-yl)phenyl]azetidin-1-yl]methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[3-fluoro-3-(4-pyridin-3-ylphenyl)azetidin-1-yl]methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[3-fluoro-3-(4-pyridin-4-ylphenyl)azetidin-1-yl]methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[3-(furan-2-ylmethylamino)azetidin-1-yl]methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[3-(3-methylbutylamino)azetidin-1-yl]methanone?
The canonical SMILES for (5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[3-fluoro-3-[4-(1-methylpyrazol-4-yl)phenyl]azetidin-1-yl]methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[3-fluoro-3-(4-pyridin-3-ylphenyl)azetidin-1-yl]methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[3-fluoro-3-(4-pyridin-4-ylphenyl)azetidin-1-yl]methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[3-(furan-2-ylmethylamino)azetidin-1-yl]methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[3-(3-methylbutylamino)azetidin-1-yl]methanone is Cc1nnc2sc(C(=O)N3CC(F)(c4ccc(-c5cccnc5)cc4)C3)c(N)c2c1C.Cc1nnc2sc(C(=O)N3CC(F)(c4ccc(-c5ccncc5)cc4)C3)c(N)c2c1C.Cc1nnc2sc(C(=O)N3CC(F)(c4ccc(-c5cnn(C)c5)cc4)C3)c(N)c2c1C.Cc1nnc2sc(C(=O)N3CC(NCCC(C)C)C3)c(N)c2c1C.Cc1nnc2sc(C(=O)N3CC(NCc4ccco4)C3)c(N)c2c1C.
What is the InChIKey of (5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[3-fluoro-3-[4-(1-methylpyrazol-4-yl)phenyl]azetidin-1-yl]methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[3-fluoro-3-(4-pyridin-3-ylphenyl)azetidin-1-yl]methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[3-fluoro-3-(4-pyridin-4-ylphenyl)azetidin-1-yl]methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[3-(furan-2-ylmethylamino)azetidin-1-yl]methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[3-(3-methylbutylamino)azetidin-1-yl]methanone?
The InChIKey is RZAZHTGYMFAMGV-UHFFFAOYSA-N. The full InChI is InChI=1S/2C23H20FN5OS.C22H21FN6OS.C17H19N5O2S.C17H25N5OS/c1-13-14(2)27-28-21-18(13)19(25)20(31-21)22(30)29-11-23(24,12-29)17-5-3-15(4-6-17)16-7-9-26-10-8-16;1-13-14(2)27-28-21-18(13)19(25)20(31-21)22(30)29-11-23(24,12-29)17-7-5-15(6-8-17)16-4-3-9-26-10-16;1-12-13(2)26-27-20-17(12)18(24)19(31-20)21(30)29-10-22(23,11-29)16-6-4-14(5-7-16)15-8-25-28(3)9-15;1-9-10(2)20-21-16-13(9)14(18)15(25-16)17(23)22-7-11(8-22)19-6-12-4-3-5-24-12;1-9(2)5-6-19-12-7-22(8-12)17(23)15-14(18)13-10(3)11(4)20-21-16(13)24-15/h2*3-10H,11-12,25H2,1-2H3;4-9H,10-11,24H2,1-3H3;3-5,11,19H,6-8,18H2,1-2H3;9,12,19H,5-8,18H2,1-4H3.
What are the key properties of (5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[3-fluoro-3-[4-(1-methylpyrazol-4-yl)phenyl]azetidin-1-yl]methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[3-fluoro-3-(4-pyridin-3-ylphenyl)azetidin-1-yl]methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[3-fluoro-3-(4-pyridin-4-ylphenyl)azetidin-1-yl]methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[3-(furan-2-ylmethylamino)azetidin-1-yl]methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[3-(3-methylbutylamino)azetidin-1-yl]methanone?
(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[3-fluoro-3-[4-(1-methylpyrazol-4-yl)phenyl]azetidin-1-yl]methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[3-fluoro-3-(4-pyridin-3-ylphenyl)azetidin-1-yl]methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[3-fluoro-3-(4-pyridin-4-ylphenyl)azetidin-1-yl]methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[3-(furan-2-ylmethylamino)azetidin-1-yl]methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[3-(3-methylbutylamino)azetidin-1-yl]methanone has a molecular weight of 2008.47 g/mol, XLogP of 16.61, 18 rotatable bonds, 7 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-fluoro-3-[4-(1-methylpyrazol-4-yl)phenyl]azetidin-1-yl]methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[3-fluoro-3-(4-pyridin-3-ylphenyl)azetidin-1-yl]methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[3-fluoro-3-(4-pyridin-4-ylphenyl)azetidin-1-yl]methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[3-(furan-2-ylmethylamino)azetidin-1-yl]methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[3-(3-methylbutylamino)azetidin-1-yl]methanone is sourced from PubChem (CID 160768938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).