5-amino-N-[[4-(6-fluoro-5-methyl-3-pyridinyl)phenyl]methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide

C22H20FN5OS — CID 89777513

IUPAC5-amino-N-[[4-(6-fluoro-5-methyl-3-pyridinyl)phenyl]methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide
SMILESCC1=CC(=CN=C1F)C2=CC=C(C=C2)CNC(=O)C3=C(C4=C(S3)N=NC(=C4C)C)N
InChIInChI=1S/C22H20FN5OS/c1-11-8-16(10-25-20(11)23)15-6-4-14(5-7-15)9-26-21(29)19-18(24)17-12(2)13(3)27-28-22(17)30-19/h4-8,10H,9,24H2,1-3H3,(H,26,29)
InChIKeyFEZMBWNSIVWYGQ-UHFFFAOYSA-N
MW421.50 g/mol
LogP4.30
Rot. Bonds4

About 5-amino-N-[[4-(6-fluoro-5-methyl-3-pyridinyl)phenyl]methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide

5-amino-N-[[4-(6-fluoro-5-methyl-3-pyridinyl)phenyl]methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide (PubChem CID 89777513) has the molecular formula C22H20FN5OS and a molecular weight of 421.50 g/mol. Its IUPAC name is 5-amino-N-[[4-(6-fluoro-5-methyl-3-pyridinyl)phenyl]methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide.

Molecular Properties

Compound Name5-amino-N-[[4-(6-fluoro-5-methyl-3-pyridinyl)phenyl]methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide
PubChem CID89777513
Molecular FormulaC22H20FN5OS
Molecular Weight421.50 g/mol
Exact Mass421.14
IUPAC Name5-amino-N-[[4-(6-fluoro-5-methyl-3-pyridinyl)phenyl]methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide
SMILESCC1=CC(=CN=C1F)C2=CC=C(C=C2)CNC(=O)C3=C(C4=C(S3)N=NC(=C4C)C)N
InChIInChI=1S/C22H20FN5OS/c1-11-8-16(10-25-20(11)23)15-6-4-14(5-7-15)9-26-21(29)19-18(24)17-12(2)13(3)27-28-22(17)30-19/h4-8,10H,9,24H2,1-3H3,(H,26,29)
InChIKeyFEZMBWNSIVWYGQ-UHFFFAOYSA-N
XLogP4.30
TPSA122.00 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity604

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.50
LogP ≤ 54.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 5-amino-N-[[4-(6-fluoro-5-methyl-3-pyridinyl)phenyl]methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-[[4-(6-fluoro-5-methyl-3-pyridinyl)phenyl]methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide?
The IUPAC name of 5-amino-N-[[4-(6-fluoro-5-methyl-3-pyridinyl)phenyl]methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide (CID 89777513) is 5-amino-N-[[4-(6-fluoro-5-methyl-3-pyridinyl)phenyl]methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide.
What is the SMILES notation for 5-amino-N-[[4-(6-fluoro-5-methyl-3-pyridinyl)phenyl]methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide?
The canonical SMILES for 5-amino-N-[[4-(6-fluoro-5-methyl-3-pyridinyl)phenyl]methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide is CC1=CC(=CN=C1F)C2=CC=C(C=C2)CNC(=O)C3=C(C4=C(S3)N=NC(=C4C)C)N.
What is the InChIKey of 5-amino-N-[[4-(6-fluoro-5-methyl-3-pyridinyl)phenyl]methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide?
The InChIKey is FEZMBWNSIVWYGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20FN5OS/c1-11-8-16(10-25-20(11)23)15-6-4-14(5-7-15)9-26-21(29)19-18(24)17-12(2)13(3)27-28-22(17)30-19/h4-8,10H,9,24H2,1-3H3,(H,26,29).
What are the key properties of 5-amino-N-[[4-(6-fluoro-5-methyl-3-pyridinyl)phenyl]methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide?
5-amino-N-[[4-(6-fluoro-5-methyl-3-pyridinyl)phenyl]methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide has a molecular weight of 421.50 g/mol, XLogP of 4.30, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-[[4-(6-fluoro-5-methyl-3-pyridinyl)phenyl]methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide is sourced from PubChem (CID 89777513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).