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

C20H21N3OS — CID 170416949

IUPAC2-(5-cyclopropyl-6-piperidin-4-ylthieno[2,3-c]pyridazin-3-yl)phenol
SMILESOc1ccccc1-c1cc2c(C3CC3)c(C3CCNCC3)sc2nn1
InChIInChI=1S/C20H21N3OS/c24-17-4-2-1-3-14(17)16-11-15-18(12-5-6-12)19(25-20(15)23-22-16)13-7-9-21-10-8-13/h1-4,11-13,21,24H,5-10H2
InChIKeyMFTYCMBTLBZCLL-UHFFFAOYSA-N
MW351.48 g/mol
LogP4.41
Rot. Bonds3

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

2-(5-cyclopropyl-6-piperidin-4-ylthieno[2,3-c]pyridazin-3-yl)phenol (PubChem CID 170416949) has the molecular formula C20H21N3OS and a molecular weight of 351.48 g/mol. Its IUPAC name is 2-(5-cyclopropyl-6-piperidin-4-ylthieno[2,3-c]pyridazin-3-yl)phenol.

Molecular Properties

Compound Name2-(5-cyclopropyl-6-piperidin-4-ylthieno[2,3-c]pyridazin-3-yl)phenol
PubChem CID170416949
Molecular FormulaC20H21N3OS
Molecular Weight351.48 g/mol
Exact Mass351.14
IUPAC Name2-(5-cyclopropyl-6-piperidin-4-ylthieno[2,3-c]pyridazin-3-yl)phenol
SMILESOc1ccccc1-c1cc2c(C3CC3)c(C3CCNCC3)sc2nn1
InChIInChI=1S/C20H21N3OS/c24-17-4-2-1-3-14(17)16-11-15-18(12-5-6-12)19(25-20(15)23-22-16)13-7-9-21-10-8-13/h1-4,11-13,21,24H,5-10H2
InChIKeyMFTYCMBTLBZCLL-UHFFFAOYSA-N
XLogP4.41
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.48
LogP ≤ 54.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(5-cyclopropyl-6-piperidin-4-ylthieno[2,3-c]pyridazin-3-yl)phenol?
The IUPAC name of 2-(5-cyclopropyl-6-piperidin-4-ylthieno[2,3-c]pyridazin-3-yl)phenol (CID 170416949) is 2-(5-cyclopropyl-6-piperidin-4-ylthieno[2,3-c]pyridazin-3-yl)phenol.
What is the SMILES notation for 2-(5-cyclopropyl-6-piperidin-4-ylthieno[2,3-c]pyridazin-3-yl)phenol?
The canonical SMILES for 2-(5-cyclopropyl-6-piperidin-4-ylthieno[2,3-c]pyridazin-3-yl)phenol is Oc1ccccc1-c1cc2c(C3CC3)c(C3CCNCC3)sc2nn1.
What is the InChIKey of 2-(5-cyclopropyl-6-piperidin-4-ylthieno[2,3-c]pyridazin-3-yl)phenol?
The InChIKey is MFTYCMBTLBZCLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3OS/c24-17-4-2-1-3-14(17)16-11-15-18(12-5-6-12)19(25-20(15)23-22-16)13-7-9-21-10-8-13/h1-4,11-13,21,24H,5-10H2.
What are the key properties of 2-(5-cyclopropyl-6-piperidin-4-ylthieno[2,3-c]pyridazin-3-yl)phenol?
2-(5-cyclopropyl-6-piperidin-4-ylthieno[2,3-c]pyridazin-3-yl)phenol has a molecular weight of 351.48 g/mol, XLogP of 4.41, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-cyclopropyl-6-piperidin-4-ylthieno[2,3-c]pyridazin-3-yl)phenol is sourced from PubChem (CID 170416949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).