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

C19H19FN4OS — CID 67704286

IUPAC2-(4-fluorophenyl)-4-(piperidin-3-ylmethyl)thieno[2,3-d]pyridazine-7-carboxamide
SMILESNC(=O)c1nnc(CC2CCCNC2)c2cc(-c3ccc(F)cc3)sc12
InChIInChI=1S/C19H19FN4OS/c20-13-5-3-12(4-6-13)16-9-14-15(8-11-2-1-7-22-10-11)23-24-17(19(21)25)18(14)26-16/h3-6,9,11,22H,1-2,7-8,10H2,(H2,21,25)
InChIKeyVMVOGYVHOBHIOU-UHFFFAOYSA-N
MW370.45 g/mol
LogP3.14
Rot. Bonds4

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

2-(4-fluorophenyl)-4-(piperidin-3-ylmethyl)thieno[2,3-d]pyridazine-7-carboxamide (PubChem CID 67704286) has the molecular formula C19H19FN4OS and a molecular weight of 370.45 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-4-(piperidin-3-ylmethyl)thieno[2,3-d]pyridazine-7-carboxamide.

Molecular Properties

Compound Name2-(4-fluorophenyl)-4-(piperidin-3-ylmethyl)thieno[2,3-d]pyridazine-7-carboxamide
PubChem CID67704286
Molecular FormulaC19H19FN4OS
Molecular Weight370.45 g/mol
Exact Mass370.13
IUPAC Name2-(4-fluorophenyl)-4-(piperidin-3-ylmethyl)thieno[2,3-d]pyridazine-7-carboxamide
SMILESNC(=O)c1nnc(CC2CCCNC2)c2cc(-c3ccc(F)cc3)sc12
InChIInChI=1S/C19H19FN4OS/c20-13-5-3-12(4-6-13)16-9-14-15(8-11-2-1-7-22-10-11)23-24-17(19(21)25)18(14)26-16/h3-6,9,11,22H,1-2,7-8,10H2,(H2,21,25)
InChIKeyVMVOGYVHOBHIOU-UHFFFAOYSA-N
XLogP3.14
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.45
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-4-(piperidin-3-ylmethyl)thieno[2,3-d]pyridazine-7-carboxamide?
The IUPAC name of 2-(4-fluorophenyl)-4-(piperidin-3-ylmethyl)thieno[2,3-d]pyridazine-7-carboxamide (CID 67704286) is 2-(4-fluorophenyl)-4-(piperidin-3-ylmethyl)thieno[2,3-d]pyridazine-7-carboxamide.
What is the SMILES notation for 2-(4-fluorophenyl)-4-(piperidin-3-ylmethyl)thieno[2,3-d]pyridazine-7-carboxamide?
The canonical SMILES for 2-(4-fluorophenyl)-4-(piperidin-3-ylmethyl)thieno[2,3-d]pyridazine-7-carboxamide is NC(=O)c1nnc(CC2CCCNC2)c2cc(-c3ccc(F)cc3)sc12.
What is the InChIKey of 2-(4-fluorophenyl)-4-(piperidin-3-ylmethyl)thieno[2,3-d]pyridazine-7-carboxamide?
The InChIKey is VMVOGYVHOBHIOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN4OS/c20-13-5-3-12(4-6-13)16-9-14-15(8-11-2-1-7-22-10-11)23-24-17(19(21)25)18(14)26-16/h3-6,9,11,22H,1-2,7-8,10H2,(H2,21,25).
What are the key properties of 2-(4-fluorophenyl)-4-(piperidin-3-ylmethyl)thieno[2,3-d]pyridazine-7-carboxamide?
2-(4-fluorophenyl)-4-(piperidin-3-ylmethyl)thieno[2,3-d]pyridazine-7-carboxamide has a molecular weight of 370.45 g/mol, XLogP of 3.14, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-4-(piperidin-3-ylmethyl)thieno[2,3-d]pyridazine-7-carboxamide is sourced from PubChem (CID 67704286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).