4-(cyclopenta-1,4-dien-1-ylmethyl)-2-(4-fluorophenyl)thieno[2,3-d]pyridazine-7-carboxamide

C19H14FN3OS — CID 58103150

IUPAC4-(cyclopenta-1,4-dien-1-ylmethyl)-2-(4-fluorophenyl)thieno[2,3-d]pyridazine-7-carboxamide
SMILESNC(=O)c1nnc(CC2=CCC=C2)c2cc(-c3ccc(F)cc3)sc12
InChIInChI=1S/C19H14FN3OS/c20-13-7-5-12(6-8-13)16-10-14-15(9-11-3-1-2-4-11)22-23-17(19(21)24)18(14)25-16/h1,3-8,10H,2,9H2,(H2,21,24)
InChIKeyZZPAAFYSASCKFM-UHFFFAOYSA-N
MW351.41 g/mol
LogP4.03
Rot. Bonds4

About 4-(cyclopenta-1,4-dien-1-ylmethyl)-2-(4-fluorophenyl)thieno[2,3-d]pyridazine-7-carboxamide

4-(cyclopenta-1,4-dien-1-ylmethyl)-2-(4-fluorophenyl)thieno[2,3-d]pyridazine-7-carboxamide (PubChem CID 58103150) has the molecular formula C19H14FN3OS and a molecular weight of 351.41 g/mol. Its IUPAC name is 4-(cyclopenta-1,4-dien-1-ylmethyl)-2-(4-fluorophenyl)thieno[2,3-d]pyridazine-7-carboxamide.

Molecular Properties

Compound Name4-(cyclopenta-1,4-dien-1-ylmethyl)-2-(4-fluorophenyl)thieno[2,3-d]pyridazine-7-carboxamide
PubChem CID58103150
Molecular FormulaC19H14FN3OS
Molecular Weight351.41 g/mol
Exact Mass351.08
IUPAC Name4-(cyclopenta-1,4-dien-1-ylmethyl)-2-(4-fluorophenyl)thieno[2,3-d]pyridazine-7-carboxamide
SMILESNC(=O)c1nnc(CC2=CCC=C2)c2cc(-c3ccc(F)cc3)sc12
InChIInChI=1S/C19H14FN3OS/c20-13-7-5-12(6-8-13)16-10-14-15(9-11-3-1-2-4-11)22-23-17(19(21)24)18(14)25-16/h1,3-8,10H,2,9H2,(H2,21,24)
InChIKeyZZPAAFYSASCKFM-UHFFFAOYSA-N
XLogP4.03
TPSA68.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-(cyclopenta-1,4-dien-1-ylmethyl)-2-(4-fluorophenyl)thieno[2,3-d]pyridazine-7-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 4-(cyclopenta-1,4-dien-1-ylmethyl)-2-(4-fluorophenyl)thieno[2,3-d]pyridazine-7-carboxamide?
The IUPAC name of 4-(cyclopenta-1,4-dien-1-ylmethyl)-2-(4-fluorophenyl)thieno[2,3-d]pyridazine-7-carboxamide (CID 58103150) is 4-(cyclopenta-1,4-dien-1-ylmethyl)-2-(4-fluorophenyl)thieno[2,3-d]pyridazine-7-carboxamide.
What is the SMILES notation for 4-(cyclopenta-1,4-dien-1-ylmethyl)-2-(4-fluorophenyl)thieno[2,3-d]pyridazine-7-carboxamide?
The canonical SMILES for 4-(cyclopenta-1,4-dien-1-ylmethyl)-2-(4-fluorophenyl)thieno[2,3-d]pyridazine-7-carboxamide is NC(=O)c1nnc(CC2=CCC=C2)c2cc(-c3ccc(F)cc3)sc12.
What is the InChIKey of 4-(cyclopenta-1,4-dien-1-ylmethyl)-2-(4-fluorophenyl)thieno[2,3-d]pyridazine-7-carboxamide?
The InChIKey is ZZPAAFYSASCKFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14FN3OS/c20-13-7-5-12(6-8-13)16-10-14-15(9-11-3-1-2-4-11)22-23-17(19(21)24)18(14)25-16/h1,3-8,10H,2,9H2,(H2,21,24).
What are the key properties of 4-(cyclopenta-1,4-dien-1-ylmethyl)-2-(4-fluorophenyl)thieno[2,3-d]pyridazine-7-carboxamide?
4-(cyclopenta-1,4-dien-1-ylmethyl)-2-(4-fluorophenyl)thieno[2,3-d]pyridazine-7-carboxamide has a molecular weight of 351.41 g/mol, XLogP of 4.03, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclopenta-1,4-dien-1-ylmethyl)-2-(4-fluorophenyl)thieno[2,3-d]pyridazine-7-carboxamide is sourced from PubChem (CID 58103150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).