6-(furan-2-yl)-2-[[4-hydroxy-1-[(5-methylfuran-2-yl)methyl]piperidin-4-yl]methyl]pyridazin-3-one

C20H23N3O4 — CID 92559255

IUPAC6-(furan-2-yl)-2-[[4-hydroxy-1-[(5-methylfuran-2-yl)methyl]piperidin-4-yl]methyl]pyridazin-3-one
SMILESCc1ccc(CN2CCC(O)(Cn3nc(-c4ccco4)ccc3=O)CC2)o1
InChIInChI=1S/C20H23N3O4/c1-15-4-5-16(27-15)13-22-10-8-20(25,9-11-22)14-23-19(24)7-6-17(21-23)18-3-2-12-26-18/h2-7,12,25H,8-11,13-14H2,1H3
InChIKeyHATRYIKKHXSADR-UHFFFAOYSA-N
MW369.42 g/mol
LogP2.43
Rot. Bonds5

About 6-(furan-2-yl)-2-[[4-hydroxy-1-[(5-methylfuran-2-yl)methyl]piperidin-4-yl]methyl]pyridazin-3-one

6-(furan-2-yl)-2-[[4-hydroxy-1-[(5-methylfuran-2-yl)methyl]piperidin-4-yl]methyl]pyridazin-3-one (PubChem CID 92559255) has the molecular formula C20H23N3O4 and a molecular weight of 369.42 g/mol. Its IUPAC name is 6-(furan-2-yl)-2-[[4-hydroxy-1-[(5-methylfuran-2-yl)methyl]piperidin-4-yl]methyl]pyridazin-3-one.

Molecular Properties

Compound Name6-(furan-2-yl)-2-[[4-hydroxy-1-[(5-methylfuran-2-yl)methyl]piperidin-4-yl]methyl]pyridazin-3-one
PubChem CID92559255
Molecular FormulaC20H23N3O4
Molecular Weight369.42 g/mol
Exact Mass369.17
IUPAC Name6-(furan-2-yl)-2-[[4-hydroxy-1-[(5-methylfuran-2-yl)methyl]piperidin-4-yl]methyl]pyridazin-3-one
SMILESCc1ccc(CN2CCC(O)(Cn3nc(-c4ccco4)ccc3=O)CC2)o1
InChIInChI=1S/C20H23N3O4/c1-15-4-5-16(27-15)13-22-10-8-20(25,9-11-22)14-23-19(24)7-6-17(21-23)18-3-2-12-26-18/h2-7,12,25H,8-11,13-14H2,1H3
InChIKeyHATRYIKKHXSADR-UHFFFAOYSA-N
XLogP2.43
TPSA84.64 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.42
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-(furan-2-yl)-2-[[4-hydroxy-1-[(5-methylfuran-2-yl)methyl]piperidin-4-yl]methyl]pyridazin-3-one?
The IUPAC name of 6-(furan-2-yl)-2-[[4-hydroxy-1-[(5-methylfuran-2-yl)methyl]piperidin-4-yl]methyl]pyridazin-3-one (CID 92559255) is 6-(furan-2-yl)-2-[[4-hydroxy-1-[(5-methylfuran-2-yl)methyl]piperidin-4-yl]methyl]pyridazin-3-one.
What is the SMILES notation for 6-(furan-2-yl)-2-[[4-hydroxy-1-[(5-methylfuran-2-yl)methyl]piperidin-4-yl]methyl]pyridazin-3-one?
The canonical SMILES for 6-(furan-2-yl)-2-[[4-hydroxy-1-[(5-methylfuran-2-yl)methyl]piperidin-4-yl]methyl]pyridazin-3-one is Cc1ccc(CN2CCC(O)(Cn3nc(-c4ccco4)ccc3=O)CC2)o1.
What is the InChIKey of 6-(furan-2-yl)-2-[[4-hydroxy-1-[(5-methylfuran-2-yl)methyl]piperidin-4-yl]methyl]pyridazin-3-one?
The InChIKey is HATRYIKKHXSADR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O4/c1-15-4-5-16(27-15)13-22-10-8-20(25,9-11-22)14-23-19(24)7-6-17(21-23)18-3-2-12-26-18/h2-7,12,25H,8-11,13-14H2,1H3.
What are the key properties of 6-(furan-2-yl)-2-[[4-hydroxy-1-[(5-methylfuran-2-yl)methyl]piperidin-4-yl]methyl]pyridazin-3-one?
6-(furan-2-yl)-2-[[4-hydroxy-1-[(5-methylfuran-2-yl)methyl]piperidin-4-yl]methyl]pyridazin-3-one has a molecular weight of 369.42 g/mol, XLogP of 2.43, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(furan-2-yl)-2-[[4-hydroxy-1-[(5-methylfuran-2-yl)methyl]piperidin-4-yl]methyl]pyridazin-3-one is sourced from PubChem (CID 92559255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).