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

C19H18FN5O3S — CID 71735996

IUPAC(4-fluorophenyl) 3-[(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)amino]azetidine-1-carboxylate
SMILESCc1nnc2sc(C(=O)NC3CN(C(=O)Oc4ccc(F)cc4)C3)c(N)c2c1C
InChIInChI=1S/C19H18FN5O3S/c1-9-10(2)23-24-18-14(9)15(21)16(29-18)17(26)22-12-7-25(8-12)19(27)28-13-5-3-11(20)4-6-13/h3-6,12H,7-8,21H2,1-2H3,(H,22,26)
InChIKeyYRMVKLVCPHAJGW-UHFFFAOYSA-N
MW415.45 g/mol
LogP2.64
Rot. Bonds3

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

(4-fluorophenyl) 3-[(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)amino]azetidine-1-carboxylate (PubChem CID 71735996) has the molecular formula C19H18FN5O3S and a molecular weight of 415.45 g/mol. Its IUPAC name is (4-fluorophenyl) 3-[(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)amino]azetidine-1-carboxylate.

Molecular Properties

Compound Name(4-fluorophenyl) 3-[(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)amino]azetidine-1-carboxylate
PubChem CID71735996
Molecular FormulaC19H18FN5O3S
Molecular Weight415.45 g/mol
Exact Mass415.11
IUPAC Name(4-fluorophenyl) 3-[(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)amino]azetidine-1-carboxylate
SMILESCc1nnc2sc(C(=O)NC3CN(C(=O)Oc4ccc(F)cc4)C3)c(N)c2c1C
InChIInChI=1S/C19H18FN5O3S/c1-9-10(2)23-24-18-14(9)15(21)16(29-18)17(26)22-12-7-25(8-12)19(27)28-13-5-3-11(20)4-6-13/h3-6,12H,7-8,21H2,1-2H3,(H,22,26)
InChIKeyYRMVKLVCPHAJGW-UHFFFAOYSA-N
XLogP2.64
TPSA110.44 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.45
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze (4-fluorophenyl) 3-[(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)amino]azetidine-1-carboxylate with MolForge

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Frequently Asked Questions

What is the IUPAC name of (4-fluorophenyl) 3-[(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)amino]azetidine-1-carboxylate?
The IUPAC name of (4-fluorophenyl) 3-[(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)amino]azetidine-1-carboxylate (CID 71735996) is (4-fluorophenyl) 3-[(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)amino]azetidine-1-carboxylate.
What is the SMILES notation for (4-fluorophenyl) 3-[(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)amino]azetidine-1-carboxylate?
The canonical SMILES for (4-fluorophenyl) 3-[(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)amino]azetidine-1-carboxylate is Cc1nnc2sc(C(=O)NC3CN(C(=O)Oc4ccc(F)cc4)C3)c(N)c2c1C.
What is the InChIKey of (4-fluorophenyl) 3-[(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)amino]azetidine-1-carboxylate?
The InChIKey is YRMVKLVCPHAJGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FN5O3S/c1-9-10(2)23-24-18-14(9)15(21)16(29-18)17(26)22-12-7-25(8-12)19(27)28-13-5-3-11(20)4-6-13/h3-6,12H,7-8,21H2,1-2H3,(H,22,26).
What are the key properties of (4-fluorophenyl) 3-[(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)amino]azetidine-1-carboxylate?
(4-fluorophenyl) 3-[(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)amino]azetidine-1-carboxylate has a molecular weight of 415.45 g/mol, XLogP of 2.64, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluorophenyl) 3-[(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)amino]azetidine-1-carboxylate is sourced from PubChem (CID 71735996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).