6-(furan-2-yl)-2-[(3R)-1-[2-(2-oxopyrrolidin-1-yl)acetyl]piperidin-3-yl]pyridazin-3-one

C19H22N4O4 — CID 95797593

IUPAC6-(furan-2-yl)-2-[(3R)-1-[2-(2-oxopyrrolidin-1-yl)acetyl]piperidin-3-yl]pyridazin-3-one
SMILESO=C1CCCN1CC(=O)N1CCC[C@@H](n2nc(-c3ccco3)ccc2=O)C1
InChIInChI=1S/C19H22N4O4/c24-17-6-2-10-22(17)13-19(26)21-9-1-4-14(12-21)23-18(25)8-7-15(20-23)16-5-3-11-27-16/h3,5,7-8,11,14H,1-2,4,6,9-10,12-13H2/t14-/m1/s1
InChIKeyKTYBZLFHFRLGHC-CQSZACIVSA-N
MW370.41 g/mol
LogP1.29
Rot. Bonds4

About 6-(furan-2-yl)-2-[(3R)-1-[2-(2-oxopyrrolidin-1-yl)acetyl]piperidin-3-yl]pyridazin-3-one

6-(furan-2-yl)-2-[(3R)-1-[2-(2-oxopyrrolidin-1-yl)acetyl]piperidin-3-yl]pyridazin-3-one (PubChem CID 95797593) has the molecular formula C19H22N4O4 and a molecular weight of 370.41 g/mol. Its IUPAC name is 6-(furan-2-yl)-2-[(3R)-1-[2-(2-oxopyrrolidin-1-yl)acetyl]piperidin-3-yl]pyridazin-3-one.

Molecular Properties

Compound Name6-(furan-2-yl)-2-[(3R)-1-[2-(2-oxopyrrolidin-1-yl)acetyl]piperidin-3-yl]pyridazin-3-one
PubChem CID95797593
Molecular FormulaC19H22N4O4
Molecular Weight370.41 g/mol
Exact Mass370.16
IUPAC Name6-(furan-2-yl)-2-[(3R)-1-[2-(2-oxopyrrolidin-1-yl)acetyl]piperidin-3-yl]pyridazin-3-one
SMILESO=C1CCCN1CC(=O)N1CCC[C@@H](n2nc(-c3ccco3)ccc2=O)C1
InChIInChI=1S/C19H22N4O4/c24-17-6-2-10-22(17)13-19(26)21-9-1-4-14(12-21)23-18(25)8-7-15(20-23)16-5-3-11-27-16/h3,5,7-8,11,14H,1-2,4,6,9-10,12-13H2/t14-/m1/s1
InChIKeyKTYBZLFHFRLGHC-CQSZACIVSA-N
XLogP1.29
TPSA88.65 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.41
LogP ≤ 51.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(furan-2-yl)-2-[(3R)-1-[2-(2-oxopyrrolidin-1-yl)acetyl]piperidin-3-yl]pyridazin-3-one?
The IUPAC name of 6-(furan-2-yl)-2-[(3R)-1-[2-(2-oxopyrrolidin-1-yl)acetyl]piperidin-3-yl]pyridazin-3-one (CID 95797593) is 6-(furan-2-yl)-2-[(3R)-1-[2-(2-oxopyrrolidin-1-yl)acetyl]piperidin-3-yl]pyridazin-3-one.
What is the SMILES notation for 6-(furan-2-yl)-2-[(3R)-1-[2-(2-oxopyrrolidin-1-yl)acetyl]piperidin-3-yl]pyridazin-3-one?
The canonical SMILES for 6-(furan-2-yl)-2-[(3R)-1-[2-(2-oxopyrrolidin-1-yl)acetyl]piperidin-3-yl]pyridazin-3-one is O=C1CCCN1CC(=O)N1CCC[C@@H](n2nc(-c3ccco3)ccc2=O)C1.
What is the InChIKey of 6-(furan-2-yl)-2-[(3R)-1-[2-(2-oxopyrrolidin-1-yl)acetyl]piperidin-3-yl]pyridazin-3-one?
The InChIKey is KTYBZLFHFRLGHC-CQSZACIVSA-N. The full InChI is InChI=1S/C19H22N4O4/c24-17-6-2-10-22(17)13-19(26)21-9-1-4-14(12-21)23-18(25)8-7-15(20-23)16-5-3-11-27-16/h3,5,7-8,11,14H,1-2,4,6,9-10,12-13H2/t14-/m1/s1.
What are the key properties of 6-(furan-2-yl)-2-[(3R)-1-[2-(2-oxopyrrolidin-1-yl)acetyl]piperidin-3-yl]pyridazin-3-one?
6-(furan-2-yl)-2-[(3R)-1-[2-(2-oxopyrrolidin-1-yl)acetyl]piperidin-3-yl]pyridazin-3-one has a molecular weight of 370.41 g/mol, XLogP of 1.29, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(furan-2-yl)-2-[(3R)-1-[2-(2-oxopyrrolidin-1-yl)acetyl]piperidin-3-yl]pyridazin-3-one is sourced from PubChem (CID 95797593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).