2-(5-methyl-6-piperidin-4-ylthieno[2,3-c]pyridazin-3-yl)phenol

C18H19N3OS — CID 166128109

IUPAC2-(5-methyl-6-piperidin-4-ylthieno[2,3-c]pyridazin-3-yl)phenol
SMILESCc1c(C2CCNCC2)sc2nnc(-c3ccccc3O)cc12
InChIInChI=1S/C18H19N3OS/c1-11-14-10-15(13-4-2-3-5-16(13)22)20-21-18(14)23-17(11)12-6-8-19-9-7-12/h2-5,10,12,19,22H,6-9H2,1H3
InChIKeyFHPAKNMJFZEUPW-UHFFFAOYSA-N
MW325.44 g/mol
LogP3.84
Rot. Bonds2

About 2-(5-methyl-6-piperidin-4-ylthieno[2,3-c]pyridazin-3-yl)phenol

2-(5-methyl-6-piperidin-4-ylthieno[2,3-c]pyridazin-3-yl)phenol (PubChem CID 166128109) has the molecular formula C18H19N3OS and a molecular weight of 325.44 g/mol. Its IUPAC name is 2-(5-methyl-6-piperidin-4-ylthieno[2,3-c]pyridazin-3-yl)phenol.

Molecular Properties

Compound Name2-(5-methyl-6-piperidin-4-ylthieno[2,3-c]pyridazin-3-yl)phenol
PubChem CID166128109
Molecular FormulaC18H19N3OS
Molecular Weight325.44 g/mol
Exact Mass325.12
IUPAC Name2-(5-methyl-6-piperidin-4-ylthieno[2,3-c]pyridazin-3-yl)phenol
SMILESCc1c(C2CCNCC2)sc2nnc(-c3ccccc3O)cc12
InChIInChI=1S/C18H19N3OS/c1-11-14-10-15(13-4-2-3-5-16(13)22)20-21-18(14)23-17(11)12-6-8-19-9-7-12/h2-5,10,12,19,22H,6-9H2,1H3
InChIKeyFHPAKNMJFZEUPW-UHFFFAOYSA-N
XLogP3.84
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.44
LogP ≤ 53.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(5-methyl-6-piperidin-4-ylthieno[2,3-c]pyridazin-3-yl)phenol?
The IUPAC name of 2-(5-methyl-6-piperidin-4-ylthieno[2,3-c]pyridazin-3-yl)phenol (CID 166128109) is 2-(5-methyl-6-piperidin-4-ylthieno[2,3-c]pyridazin-3-yl)phenol.
What is the SMILES notation for 2-(5-methyl-6-piperidin-4-ylthieno[2,3-c]pyridazin-3-yl)phenol?
The canonical SMILES for 2-(5-methyl-6-piperidin-4-ylthieno[2,3-c]pyridazin-3-yl)phenol is Cc1c(C2CCNCC2)sc2nnc(-c3ccccc3O)cc12.
What is the InChIKey of 2-(5-methyl-6-piperidin-4-ylthieno[2,3-c]pyridazin-3-yl)phenol?
The InChIKey is FHPAKNMJFZEUPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3OS/c1-11-14-10-15(13-4-2-3-5-16(13)22)20-21-18(14)23-17(11)12-6-8-19-9-7-12/h2-5,10,12,19,22H,6-9H2,1H3.
What are the key properties of 2-(5-methyl-6-piperidin-4-ylthieno[2,3-c]pyridazin-3-yl)phenol?
2-(5-methyl-6-piperidin-4-ylthieno[2,3-c]pyridazin-3-yl)phenol has a molecular weight of 325.44 g/mol, XLogP of 3.84, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methyl-6-piperidin-4-ylthieno[2,3-c]pyridazin-3-yl)phenol is sourced from PubChem (CID 166128109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).