5-[4-[1-(2-methoxyethyl)-5-oxopyrrolidine-3-carbonyl]piperazin-1-yl]-2-methylpyridazin-3-one

C17H25N5O4 — CID 45239592

IUPAC5-[4-[1-(2-methoxyethyl)-5-oxopyrrolidine-3-carbonyl]piperazin-1-yl]-2-methylpyridazin-3-one
SMILESCOCCN1CC(C(=O)N2CCN(c3cnn(C)c(=O)c3)CC2)CC1=O
InChIInChI=1S/C17H25N5O4/c1-19-15(23)10-14(11-18-19)20-3-5-21(6-4-20)17(25)13-9-16(24)22(12-13)7-8-26-2/h10-11,13H,3-9,12H2,1-2H3
InChIKeyCXSXUIQIUSVBIY-UHFFFAOYSA-N
MW363.42 g/mol
LogP-1.08
Rot. Bonds5

About 5-[4-[1-(2-methoxyethyl)-5-oxopyrrolidine-3-carbonyl]piperazin-1-yl]-2-methylpyridazin-3-one

5-[4-[1-(2-methoxyethyl)-5-oxopyrrolidine-3-carbonyl]piperazin-1-yl]-2-methylpyridazin-3-one (PubChem CID 45239592) has the molecular formula C17H25N5O4 and a molecular weight of 363.42 g/mol. Its IUPAC name is 5-[4-[1-(2-methoxyethyl)-5-oxopyrrolidine-3-carbonyl]piperazin-1-yl]-2-methylpyridazin-3-one.

Molecular Properties

Compound Name5-[4-[1-(2-methoxyethyl)-5-oxopyrrolidine-3-carbonyl]piperazin-1-yl]-2-methylpyridazin-3-one
PubChem CID45239592
Molecular FormulaC17H25N5O4
Molecular Weight363.42 g/mol
Exact Mass363.19
IUPAC Name5-[4-[1-(2-methoxyethyl)-5-oxopyrrolidine-3-carbonyl]piperazin-1-yl]-2-methylpyridazin-3-one
SMILESCOCCN1CC(C(=O)N2CCN(c3cnn(C)c(=O)c3)CC2)CC1=O
InChIInChI=1S/C17H25N5O4/c1-19-15(23)10-14(11-18-19)20-3-5-21(6-4-20)17(25)13-9-16(24)22(12-13)7-8-26-2/h10-11,13H,3-9,12H2,1-2H3
InChIKeyCXSXUIQIUSVBIY-UHFFFAOYSA-N
XLogP-1.08
TPSA87.98 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.42
LogP ≤ 5-1.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 5-[4-[1-(2-methoxyethyl)-5-oxopyrrolidine-3-carbonyl]piperazin-1-yl]-2-methylpyridazin-3-one with MolForge

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Related Compounds

1'-{1-[1-(2-Methoxyethyl)-6-oxo-1,6-dihydropyridazin-4-YL]pyrrolidine-3-carbonyl}-[1,4'-bipiperidine]-4'-carboxamide
CID 91909591
2-(cyclopropylmethyl)-5-{3-[(4-isopropylpiperazino)carbonyl]-1-pyrrolidinyl}-3(2H)-pyridazinone
CID 91920244
5-[3-(4-Ethylpiperazine-1-carbonyl)pyrrolidin-1-yl]-2-(2-methoxyethyl)pyridazin-3-one
CID 91920250
N-isobutyl-1-[1-(2-methoxyethyl)-6-oxo-1,6-dihydro-4-pyridazinyl]-3-pyrrolidinecarboxamide
CID 91920254
5-{3-[(4-isopropylpiperazino)carbonyl]-1-pyrrolidinyl}-2-(2-methoxyethyl)-3(2H)-pyridazinone
CID 91920256
N-{[1-(1-methyl-6-oxo-1,6-dihydro-4-pyridazinyl)-3-pyrrolidinyl]methyl}-3-(4-morpholinyl)propanamide
CID 70728730
5-morpholin-4-yl-2-[2-(2-oxopyrrolidin-1-yl)ethyl]pyridazin-3(2H)-one
CID 72893726
N-methyl-N-[(1-methyl-5-oxopyrrolidin-3-yl)methyl]-2-(6-oxo-4-piperidin-1-ylpyridazin-1(6H)-yl)acetamide
CID 72902382
5-morpholin-4-yl-2-(3-oxo-3-pyrrolidin-1-ylpropyl)pyridazin-3(2H)-one
CID 72940884
1-[1-(2-Methoxyethyl)-6-oxo-1,6-dihydro-4-pyridazinyl]-N~3~-[2-(1-pyrrolidinyl)ethyl]-3-pyrrolidinecarboxamide
CID 91920252
N-[[(3R)-1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]-3-morpholin-4-ylpropanamide
CID 96376610
N-[[(3S)-1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]-3-morpholin-4-ylpropanamide
CID 96376611

Frequently Asked Questions

What is the IUPAC name of 5-[4-[1-(2-methoxyethyl)-5-oxopyrrolidine-3-carbonyl]piperazin-1-yl]-2-methylpyridazin-3-one?
The IUPAC name of 5-[4-[1-(2-methoxyethyl)-5-oxopyrrolidine-3-carbonyl]piperazin-1-yl]-2-methylpyridazin-3-one (CID 45239592) is 5-[4-[1-(2-methoxyethyl)-5-oxopyrrolidine-3-carbonyl]piperazin-1-yl]-2-methylpyridazin-3-one.
What is the SMILES notation for 5-[4-[1-(2-methoxyethyl)-5-oxopyrrolidine-3-carbonyl]piperazin-1-yl]-2-methylpyridazin-3-one?
The canonical SMILES for 5-[4-[1-(2-methoxyethyl)-5-oxopyrrolidine-3-carbonyl]piperazin-1-yl]-2-methylpyridazin-3-one is COCCN1CC(C(=O)N2CCN(c3cnn(C)c(=O)c3)CC2)CC1=O.
What is the InChIKey of 5-[4-[1-(2-methoxyethyl)-5-oxopyrrolidine-3-carbonyl]piperazin-1-yl]-2-methylpyridazin-3-one?
The InChIKey is CXSXUIQIUSVBIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N5O4/c1-19-15(23)10-14(11-18-19)20-3-5-21(6-4-20)17(25)13-9-16(24)22(12-13)7-8-26-2/h10-11,13H,3-9,12H2,1-2H3.
What are the key properties of 5-[4-[1-(2-methoxyethyl)-5-oxopyrrolidine-3-carbonyl]piperazin-1-yl]-2-methylpyridazin-3-one?
5-[4-[1-(2-methoxyethyl)-5-oxopyrrolidine-3-carbonyl]piperazin-1-yl]-2-methylpyridazin-3-one has a molecular weight of 363.42 g/mol, XLogP of -1.08, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[1-(2-methoxyethyl)-5-oxopyrrolidine-3-carbonyl]piperazin-1-yl]-2-methylpyridazin-3-one is sourced from PubChem (CID 45239592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).