4-(cyclohexylmethyl)-2-(4-fluorophenyl)thieno[2,3-d]pyridazine-7-carboxamide

C20H20FN3OS — CID 58103172

IUPAC4-(cyclohexylmethyl)-2-(4-fluorophenyl)thieno[2,3-d]pyridazine-7-carboxamide
SMILESNC(=O)c1nnc(CC2CCCCC2)c2cc(-c3ccc(F)cc3)sc12
InChIInChI=1S/C20H20FN3OS/c21-14-8-6-13(7-9-14)17-11-15-16(10-12-4-2-1-3-5-12)23-24-18(20(22)25)19(15)26-17/h6-9,11-12H,1-5,10H2,(H2,22,25)
InChIKeyBLGPHIUQWSEFFC-UHFFFAOYSA-N
MW369.47 g/mol
LogP4.72
Rot. Bonds4

About 4-(cyclohexylmethyl)-2-(4-fluorophenyl)thieno[2,3-d]pyridazine-7-carboxamide

4-(cyclohexylmethyl)-2-(4-fluorophenyl)thieno[2,3-d]pyridazine-7-carboxamide (PubChem CID 58103172) has the molecular formula C20H20FN3OS and a molecular weight of 369.47 g/mol. Its IUPAC name is 4-(cyclohexylmethyl)-2-(4-fluorophenyl)thieno[2,3-d]pyridazine-7-carboxamide.

Molecular Properties

Compound Name4-(cyclohexylmethyl)-2-(4-fluorophenyl)thieno[2,3-d]pyridazine-7-carboxamide
PubChem CID58103172
Molecular FormulaC20H20FN3OS
Molecular Weight369.47 g/mol
Exact Mass369.13
IUPAC Name4-(cyclohexylmethyl)-2-(4-fluorophenyl)thieno[2,3-d]pyridazine-7-carboxamide
SMILESNC(=O)c1nnc(CC2CCCCC2)c2cc(-c3ccc(F)cc3)sc12
InChIInChI=1S/C20H20FN3OS/c21-14-8-6-13(7-9-14)17-11-15-16(10-12-4-2-1-3-5-12)23-24-18(20(22)25)19(15)26-17/h6-9,11-12H,1-5,10H2,(H2,22,25)
InChIKeyBLGPHIUQWSEFFC-UHFFFAOYSA-N
XLogP4.72
TPSA68.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.47
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(cyclohexylmethyl)-2-(4-fluorophenyl)thieno[2,3-d]pyridazine-7-carboxamide?
The IUPAC name of 4-(cyclohexylmethyl)-2-(4-fluorophenyl)thieno[2,3-d]pyridazine-7-carboxamide (CID 58103172) is 4-(cyclohexylmethyl)-2-(4-fluorophenyl)thieno[2,3-d]pyridazine-7-carboxamide.
What is the SMILES notation for 4-(cyclohexylmethyl)-2-(4-fluorophenyl)thieno[2,3-d]pyridazine-7-carboxamide?
The canonical SMILES for 4-(cyclohexylmethyl)-2-(4-fluorophenyl)thieno[2,3-d]pyridazine-7-carboxamide is NC(=O)c1nnc(CC2CCCCC2)c2cc(-c3ccc(F)cc3)sc12.
What is the InChIKey of 4-(cyclohexylmethyl)-2-(4-fluorophenyl)thieno[2,3-d]pyridazine-7-carboxamide?
The InChIKey is BLGPHIUQWSEFFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FN3OS/c21-14-8-6-13(7-9-14)17-11-15-16(10-12-4-2-1-3-5-12)23-24-18(20(22)25)19(15)26-17/h6-9,11-12H,1-5,10H2,(H2,22,25).
What are the key properties of 4-(cyclohexylmethyl)-2-(4-fluorophenyl)thieno[2,3-d]pyridazine-7-carboxamide?
4-(cyclohexylmethyl)-2-(4-fluorophenyl)thieno[2,3-d]pyridazine-7-carboxamide has a molecular weight of 369.47 g/mol, XLogP of 4.72, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclohexylmethyl)-2-(4-fluorophenyl)thieno[2,3-d]pyridazine-7-carboxamide is sourced from PubChem (CID 58103172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).