5-amino-3-(6-fluoro-3-pyridinyl)-4-oxo-N-propan-2-ylthieno[3,4-d]pyridazine-1-carboxamide

C15H14FN5O2S — CID 71603402

IUPAC5-amino-3-(6-fluoro-3-pyridinyl)-4-oxo-N-propan-2-ylthieno[3,4-d]pyridazine-1-carboxamide
SMILESCC(C)NC(=O)c1nn(-c2ccc(F)nc2)c(=O)c2c(N)scc12
InChIInChI=1S/C15H14FN5O2S/c1-7(2)19-14(22)12-9-6-24-13(17)11(9)15(23)21(20-12)8-3-4-10(16)18-5-8/h3-7H,17H2,1-2H3,(H,19,22)
InChIKeyKJAGRJAILVPRJT-UHFFFAOYSA-N
MW347.38 g/mol
LogP1.70
Rot. Bonds3

About 5-amino-3-(6-fluoro-3-pyridinyl)-4-oxo-N-propan-2-ylthieno[3,4-d]pyridazine-1-carboxamide

5-amino-3-(6-fluoro-3-pyridinyl)-4-oxo-N-propan-2-ylthieno[3,4-d]pyridazine-1-carboxamide (PubChem CID 71603402) has the molecular formula C15H14FN5O2S and a molecular weight of 347.38 g/mol. Its IUPAC name is 5-amino-3-(6-fluoro-3-pyridinyl)-4-oxo-N-propan-2-ylthieno[3,4-d]pyridazine-1-carboxamide.

Molecular Properties

Compound Name5-amino-3-(6-fluoro-3-pyridinyl)-4-oxo-N-propan-2-ylthieno[3,4-d]pyridazine-1-carboxamide
PubChem CID71603402
Molecular FormulaC15H14FN5O2S
Molecular Weight347.38 g/mol
Exact Mass347.09
IUPAC Name5-amino-3-(6-fluoro-3-pyridinyl)-4-oxo-N-propan-2-ylthieno[3,4-d]pyridazine-1-carboxamide
SMILESCC(C)NC(=O)c1nn(-c2ccc(F)nc2)c(=O)c2c(N)scc12
InChIInChI=1S/C15H14FN5O2S/c1-7(2)19-14(22)12-9-6-24-13(17)11(9)15(23)21(20-12)8-3-4-10(16)18-5-8/h3-7H,17H2,1-2H3,(H,19,22)
InChIKeyKJAGRJAILVPRJT-UHFFFAOYSA-N
XLogP1.70
TPSA102.90 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.38
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-amino-3-(6-fluoro-3-pyridinyl)-4-oxo-N-propan-2-ylthieno[3,4-d]pyridazine-1-carboxamide?
The IUPAC name of 5-amino-3-(6-fluoro-3-pyridinyl)-4-oxo-N-propan-2-ylthieno[3,4-d]pyridazine-1-carboxamide (CID 71603402) is 5-amino-3-(6-fluoro-3-pyridinyl)-4-oxo-N-propan-2-ylthieno[3,4-d]pyridazine-1-carboxamide.
What is the SMILES notation for 5-amino-3-(6-fluoro-3-pyridinyl)-4-oxo-N-propan-2-ylthieno[3,4-d]pyridazine-1-carboxamide?
The canonical SMILES for 5-amino-3-(6-fluoro-3-pyridinyl)-4-oxo-N-propan-2-ylthieno[3,4-d]pyridazine-1-carboxamide is CC(C)NC(=O)c1nn(-c2ccc(F)nc2)c(=O)c2c(N)scc12.
What is the InChIKey of 5-amino-3-(6-fluoro-3-pyridinyl)-4-oxo-N-propan-2-ylthieno[3,4-d]pyridazine-1-carboxamide?
The InChIKey is KJAGRJAILVPRJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FN5O2S/c1-7(2)19-14(22)12-9-6-24-13(17)11(9)15(23)21(20-12)8-3-4-10(16)18-5-8/h3-7H,17H2,1-2H3,(H,19,22).
What are the key properties of 5-amino-3-(6-fluoro-3-pyridinyl)-4-oxo-N-propan-2-ylthieno[3,4-d]pyridazine-1-carboxamide?
5-amino-3-(6-fluoro-3-pyridinyl)-4-oxo-N-propan-2-ylthieno[3,4-d]pyridazine-1-carboxamide has a molecular weight of 347.38 g/mol, XLogP of 1.70, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-3-(6-fluoro-3-pyridinyl)-4-oxo-N-propan-2-ylthieno[3,4-d]pyridazine-1-carboxamide is sourced from PubChem (CID 71603402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).