5-amino-N-cyclopropyl-3-(4-fluorophenyl)-4-oxothieno[3,4-d]pyridazine-1-carboxamide

C16H13FN4O2S — CID 70686373

IUPAC5-amino-N-cyclopropyl-3-(4-fluorophenyl)-4-oxothieno[3,4-d]pyridazine-1-carboxamide
SMILESNc1scc2c(C(=O)NC3CC3)nn(-c3ccc(F)cc3)c(=O)c12
InChIInChI=1S/C16H13FN4O2S/c17-8-1-5-10(6-2-8)21-16(23)12-11(7-24-14(12)18)13(20-21)15(22)19-9-3-4-9/h1-2,5-7,9H,3-4,18H2,(H,19,22)
InChIKeyYLDONMOUAPUZEL-UHFFFAOYSA-N
MW344.37 g/mol
LogP2.06
Rot. Bonds3

About 5-amino-N-cyclopropyl-3-(4-fluorophenyl)-4-oxothieno[3,4-d]pyridazine-1-carboxamide

5-amino-N-cyclopropyl-3-(4-fluorophenyl)-4-oxothieno[3,4-d]pyridazine-1-carboxamide (PubChem CID 70686373) has the molecular formula C16H13FN4O2S and a molecular weight of 344.37 g/mol. Its IUPAC name is 5-amino-N-cyclopropyl-3-(4-fluorophenyl)-4-oxothieno[3,4-d]pyridazine-1-carboxamide.

Molecular Properties

Compound Name5-amino-N-cyclopropyl-3-(4-fluorophenyl)-4-oxothieno[3,4-d]pyridazine-1-carboxamide
PubChem CID70686373
Molecular FormulaC16H13FN4O2S
Molecular Weight344.37 g/mol
Exact Mass344.07
IUPAC Name5-amino-N-cyclopropyl-3-(4-fluorophenyl)-4-oxothieno[3,4-d]pyridazine-1-carboxamide
SMILESNc1scc2c(C(=O)NC3CC3)nn(-c3ccc(F)cc3)c(=O)c12
InChIInChI=1S/C16H13FN4O2S/c17-8-1-5-10(6-2-8)21-16(23)12-11(7-24-14(12)18)13(20-21)15(22)19-9-3-4-9/h1-2,5-7,9H,3-4,18H2,(H,19,22)
InChIKeyYLDONMOUAPUZEL-UHFFFAOYSA-N
XLogP2.06
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.37
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-amino-N-cyclopropyl-3-(4-fluorophenyl)-4-oxothieno[3,4-d]pyridazine-1-carboxamide?
The IUPAC name of 5-amino-N-cyclopropyl-3-(4-fluorophenyl)-4-oxothieno[3,4-d]pyridazine-1-carboxamide (CID 70686373) is 5-amino-N-cyclopropyl-3-(4-fluorophenyl)-4-oxothieno[3,4-d]pyridazine-1-carboxamide.
What is the SMILES notation for 5-amino-N-cyclopropyl-3-(4-fluorophenyl)-4-oxothieno[3,4-d]pyridazine-1-carboxamide?
The canonical SMILES for 5-amino-N-cyclopropyl-3-(4-fluorophenyl)-4-oxothieno[3,4-d]pyridazine-1-carboxamide is Nc1scc2c(C(=O)NC3CC3)nn(-c3ccc(F)cc3)c(=O)c12.
What is the InChIKey of 5-amino-N-cyclopropyl-3-(4-fluorophenyl)-4-oxothieno[3,4-d]pyridazine-1-carboxamide?
The InChIKey is YLDONMOUAPUZEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13FN4O2S/c17-8-1-5-10(6-2-8)21-16(23)12-11(7-24-14(12)18)13(20-21)15(22)19-9-3-4-9/h1-2,5-7,9H,3-4,18H2,(H,19,22).
What are the key properties of 5-amino-N-cyclopropyl-3-(4-fluorophenyl)-4-oxothieno[3,4-d]pyridazine-1-carboxamide?
5-amino-N-cyclopropyl-3-(4-fluorophenyl)-4-oxothieno[3,4-d]pyridazine-1-carboxamide has a molecular weight of 344.37 g/mol, XLogP of 2.06, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-cyclopropyl-3-(4-fluorophenyl)-4-oxothieno[3,4-d]pyridazine-1-carboxamide is sourced from PubChem (CID 70686373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).