(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[3-[(4-fluorophenyl)methylamino]azetidin-1-yl]methanone

C19H20FN5OS — CID 71735834

IUPAC(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[3-[(4-fluorophenyl)methylamino]azetidin-1-yl]methanone
SMILESCc1nnc2sc(C(=O)N3CC(NCc4ccc(F)cc4)C3)c(N)c2c1C
InChIInChI=1S/C19H20FN5OS/c1-10-11(2)23-24-18-15(10)16(21)17(27-18)19(26)25-8-14(9-25)22-7-12-3-5-13(20)6-4-12/h3-6,14,22H,7-9,21H2,1-2H3
InChIKeyCWZNOPNGDNDACA-UHFFFAOYSA-N
MW385.47 g/mol
LogP2.64
Rot. Bonds4

About (5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[3-[(4-fluorophenyl)methylamino]azetidin-1-yl]methanone

(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[3-[(4-fluorophenyl)methylamino]azetidin-1-yl]methanone (PubChem CID 71735834) has the molecular formula C19H20FN5OS and a molecular weight of 385.47 g/mol. Its IUPAC name is (5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[3-[(4-fluorophenyl)methylamino]azetidin-1-yl]methanone.

Molecular Properties

Compound Name(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[3-[(4-fluorophenyl)methylamino]azetidin-1-yl]methanone
PubChem CID71735834
Molecular FormulaC19H20FN5OS
Molecular Weight385.47 g/mol
Exact Mass385.14
IUPAC Name(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[3-[(4-fluorophenyl)methylamino]azetidin-1-yl]methanone
SMILESCc1nnc2sc(C(=O)N3CC(NCc4ccc(F)cc4)C3)c(N)c2c1C
InChIInChI=1S/C19H20FN5OS/c1-10-11(2)23-24-18-15(10)16(21)17(27-18)19(26)25-8-14(9-25)22-7-12-3-5-13(20)6-4-12/h3-6,14,22H,7-9,21H2,1-2H3
InChIKeyCWZNOPNGDNDACA-UHFFFAOYSA-N
XLogP2.64
TPSA84.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.47
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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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-[(4-fluorophenyl)methylamino]azetidin-1-yl]methanone?
The IUPAC name of (5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[3-[(4-fluorophenyl)methylamino]azetidin-1-yl]methanone (CID 71735834) is (5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[3-[(4-fluorophenyl)methylamino]azetidin-1-yl]methanone.
What is the SMILES notation for (5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[3-[(4-fluorophenyl)methylamino]azetidin-1-yl]methanone?
The canonical SMILES for (5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[3-[(4-fluorophenyl)methylamino]azetidin-1-yl]methanone is Cc1nnc2sc(C(=O)N3CC(NCc4ccc(F)cc4)C3)c(N)c2c1C.
What is the InChIKey of (5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[3-[(4-fluorophenyl)methylamino]azetidin-1-yl]methanone?
The InChIKey is CWZNOPNGDNDACA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FN5OS/c1-10-11(2)23-24-18-15(10)16(21)17(27-18)19(26)25-8-14(9-25)22-7-12-3-5-13(20)6-4-12/h3-6,14,22H,7-9,21H2,1-2H3.
What are the key properties of (5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[3-[(4-fluorophenyl)methylamino]azetidin-1-yl]methanone?
(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[3-[(4-fluorophenyl)methylamino]azetidin-1-yl]methanone has a molecular weight of 385.47 g/mol, XLogP of 2.64, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[3-[(4-fluorophenyl)methylamino]azetidin-1-yl]methanone is sourced from PubChem (CID 71735834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).