2-[1-[(1-methylpiperidin-3-yl)amino]-7,8-dihydro-5H-pyrano[3,4-d]pyridazin-4-yl]phenol

C19H24N4O2 — CID 170163260

IUPAC2-[1-[(1-methylpiperidin-3-yl)amino]-7,8-dihydro-5H-pyrano[3,4-d]pyridazin-4-yl]phenol
SMILESCN1CCCC(Nc2nnc(-c3ccccc3O)c3c2CCOC3)C1
InChIInChI=1S/C19H24N4O2/c1-23-9-4-5-13(11-23)20-19-14-8-10-25-12-16(14)18(21-22-19)15-6-2-3-7-17(15)24/h2-3,6-7,13,24H,4-5,8-12H2,1H3,(H,20,22)
InChIKeyCQOJVAPGXTWRHG-UHFFFAOYSA-N
MW340.43 g/mol
LogP2.43
Rot. Bonds3

About 2-[1-[(1-methylpiperidin-3-yl)amino]-7,8-dihydro-5H-pyrano[3,4-d]pyridazin-4-yl]phenol

2-[1-[(1-methylpiperidin-3-yl)amino]-7,8-dihydro-5H-pyrano[3,4-d]pyridazin-4-yl]phenol (PubChem CID 170163260) has the molecular formula C19H24N4O2 and a molecular weight of 340.43 g/mol. Its IUPAC name is 2-[1-[(1-methylpiperidin-3-yl)amino]-7,8-dihydro-5H-pyrano[3,4-d]pyridazin-4-yl]phenol.

Molecular Properties

Compound Name2-[1-[(1-methylpiperidin-3-yl)amino]-7,8-dihydro-5H-pyrano[3,4-d]pyridazin-4-yl]phenol
PubChem CID170163260
Molecular FormulaC19H24N4O2
Molecular Weight340.43 g/mol
Exact Mass340.19
IUPAC Name2-[1-[(1-methylpiperidin-3-yl)amino]-7,8-dihydro-5H-pyrano[3,4-d]pyridazin-4-yl]phenol
SMILESCN1CCCC(Nc2nnc(-c3ccccc3O)c3c2CCOC3)C1
InChIInChI=1S/C19H24N4O2/c1-23-9-4-5-13(11-23)20-19-14-8-10-25-12-16(14)18(21-22-19)15-6-2-3-7-17(15)24/h2-3,6-7,13,24H,4-5,8-12H2,1H3,(H,20,22)
InChIKeyCQOJVAPGXTWRHG-UHFFFAOYSA-N
XLogP2.43
TPSA70.51 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.43
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[(1-methylpiperidin-3-yl)amino]-7,8-dihydro-5H-pyrano[3,4-d]pyridazin-4-yl]phenol?
The IUPAC name of 2-[1-[(1-methylpiperidin-3-yl)amino]-7,8-dihydro-5H-pyrano[3,4-d]pyridazin-4-yl]phenol (CID 170163260) is 2-[1-[(1-methylpiperidin-3-yl)amino]-7,8-dihydro-5H-pyrano[3,4-d]pyridazin-4-yl]phenol.
What is the SMILES notation for 2-[1-[(1-methylpiperidin-3-yl)amino]-7,8-dihydro-5H-pyrano[3,4-d]pyridazin-4-yl]phenol?
The canonical SMILES for 2-[1-[(1-methylpiperidin-3-yl)amino]-7,8-dihydro-5H-pyrano[3,4-d]pyridazin-4-yl]phenol is CN1CCCC(Nc2nnc(-c3ccccc3O)c3c2CCOC3)C1.
What is the InChIKey of 2-[1-[(1-methylpiperidin-3-yl)amino]-7,8-dihydro-5H-pyrano[3,4-d]pyridazin-4-yl]phenol?
The InChIKey is CQOJVAPGXTWRHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O2/c1-23-9-4-5-13(11-23)20-19-14-8-10-25-12-16(14)18(21-22-19)15-6-2-3-7-17(15)24/h2-3,6-7,13,24H,4-5,8-12H2,1H3,(H,20,22).
What are the key properties of 2-[1-[(1-methylpiperidin-3-yl)amino]-7,8-dihydro-5H-pyrano[3,4-d]pyridazin-4-yl]phenol?
2-[1-[(1-methylpiperidin-3-yl)amino]-7,8-dihydro-5H-pyrano[3,4-d]pyridazin-4-yl]phenol has a molecular weight of 340.43 g/mol, XLogP of 2.43, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(1-methylpiperidin-3-yl)amino]-7,8-dihydro-5H-pyrano[3,4-d]pyridazin-4-yl]phenol is sourced from PubChem (CID 170163260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).