(3,5-difluorophenyl) 3-[(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)amino]azetidine-1-carboxylate

C19H17F2N5O3S — CID 71735838

IUPAC(3,5-difluorophenyl) 3-[(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)amino]azetidine-1-carboxylate
SMILESCc1nnc2sc(C(=O)NC3CN(C(=O)Oc4cc(F)cc(F)c4)C3)c(N)c2c1C
InChIInChI=1S/C19H17F2N5O3S/c1-8-9(2)24-25-18-14(8)15(22)16(30-18)17(27)23-12-6-26(7-12)19(28)29-13-4-10(20)3-11(21)5-13/h3-5,12H,6-7,22H2,1-2H3,(H,23,27)
InChIKeyAYPAUWGOXKTAHW-UHFFFAOYSA-N
MW433.44 g/mol
LogP2.78
Rot. Bonds3

About (3,5-difluorophenyl) 3-[(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)amino]azetidine-1-carboxylate

(3,5-difluorophenyl) 3-[(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)amino]azetidine-1-carboxylate (PubChem CID 71735838) has the molecular formula C19H17F2N5O3S and a molecular weight of 433.44 g/mol. Its IUPAC name is (3,5-difluorophenyl) 3-[(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)amino]azetidine-1-carboxylate.

Molecular Properties

Compound Name(3,5-difluorophenyl) 3-[(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)amino]azetidine-1-carboxylate
PubChem CID71735838
Molecular FormulaC19H17F2N5O3S
Molecular Weight433.44 g/mol
Exact Mass433.10
IUPAC Name(3,5-difluorophenyl) 3-[(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)amino]azetidine-1-carboxylate
SMILESCc1nnc2sc(C(=O)NC3CN(C(=O)Oc4cc(F)cc(F)c4)C3)c(N)c2c1C
InChIInChI=1S/C19H17F2N5O3S/c1-8-9(2)24-25-18-14(8)15(22)16(30-18)17(27)23-12-6-26(7-12)19(28)29-13-4-10(20)3-11(21)5-13/h3-5,12H,6-7,22H2,1-2H3,(H,23,27)
InChIKeyAYPAUWGOXKTAHW-UHFFFAOYSA-N
XLogP2.78
TPSA110.44 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.44
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (3,5-difluorophenyl) 3-[(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)amino]azetidine-1-carboxylate?
The IUPAC name of (3,5-difluorophenyl) 3-[(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)amino]azetidine-1-carboxylate (CID 71735838) is (3,5-difluorophenyl) 3-[(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)amino]azetidine-1-carboxylate.
What is the SMILES notation for (3,5-difluorophenyl) 3-[(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)amino]azetidine-1-carboxylate?
The canonical SMILES for (3,5-difluorophenyl) 3-[(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)amino]azetidine-1-carboxylate is Cc1nnc2sc(C(=O)NC3CN(C(=O)Oc4cc(F)cc(F)c4)C3)c(N)c2c1C.
What is the InChIKey of (3,5-difluorophenyl) 3-[(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)amino]azetidine-1-carboxylate?
The InChIKey is AYPAUWGOXKTAHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F2N5O3S/c1-8-9(2)24-25-18-14(8)15(22)16(30-18)17(27)23-12-6-26(7-12)19(28)29-13-4-10(20)3-11(21)5-13/h3-5,12H,6-7,22H2,1-2H3,(H,23,27).
What are the key properties of (3,5-difluorophenyl) 3-[(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)amino]azetidine-1-carboxylate?
(3,5-difluorophenyl) 3-[(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)amino]azetidine-1-carboxylate has a molecular weight of 433.44 g/mol, XLogP of 2.78, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-difluorophenyl) 3-[(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)amino]azetidine-1-carboxylate is sourced from PubChem (CID 71735838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).