2-methyl-5-[4-(2-pyrrolidin-1-ylbenzoyl)piperazin-1-yl]pyridazin-3-one

C20H25N5O2 — CID 28909109

IUPAC2-methyl-5-[4-(2-pyrrolidin-1-ylbenzoyl)piperazin-1-yl]pyridazin-3-one
SMILESCn1ncc(N2CCN(C(=O)c3ccccc3N3CCCC3)CC2)cc1=O
InChIInChI=1S/C20H25N5O2/c1-22-19(26)14-16(15-21-22)23-10-12-25(13-11-23)20(27)17-6-2-3-7-18(17)24-8-4-5-9-24/h2-3,6-7,14-15H,4-5,8-13H2,1H3
InChIKeyJYFRJMOHFNUFFF-UHFFFAOYSA-N
MW367.45 g/mol
LogP1.34
Rot. Bonds3

About 2-methyl-5-[4-(2-pyrrolidin-1-ylbenzoyl)piperazin-1-yl]pyridazin-3-one

2-methyl-5-[4-(2-pyrrolidin-1-ylbenzoyl)piperazin-1-yl]pyridazin-3-one (PubChem CID 28909109) has the molecular formula C20H25N5O2 and a molecular weight of 367.45 g/mol. Its IUPAC name is 2-methyl-5-[4-(2-pyrrolidin-1-ylbenzoyl)piperazin-1-yl]pyridazin-3-one.

Molecular Properties

Compound Name2-methyl-5-[4-(2-pyrrolidin-1-ylbenzoyl)piperazin-1-yl]pyridazin-3-one
PubChem CID28909109
Molecular FormulaC20H25N5O2
Molecular Weight367.45 g/mol
Exact Mass367.20
IUPAC Name2-methyl-5-[4-(2-pyrrolidin-1-ylbenzoyl)piperazin-1-yl]pyridazin-3-one
SMILESCn1ncc(N2CCN(C(=O)c3ccccc3N3CCCC3)CC2)cc1=O
InChIInChI=1S/C20H25N5O2/c1-22-19(26)14-16(15-21-22)23-10-12-25(13-11-23)20(27)17-6-2-3-7-18(17)24-8-4-5-9-24/h2-3,6-7,14-15H,4-5,8-13H2,1H3
InChIKeyJYFRJMOHFNUFFF-UHFFFAOYSA-N
XLogP1.34
TPSA61.68 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 51.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[4-(2-chlorophenyl)piperazin-1-yl]-(1,5-dimethylpyrazol-4-yl)methanone
CID 51309762
(1,5-dimethylpyrazol-4-yl)-(4-phenylpiperazin-1-yl)methanone
CID 51309247
2-methyl-5-[4-(4,5,6,7-tetrahydro-1-benzothiophene-3-carbonyl)piperazin-1-yl]pyridazin-3-one
CID 29028742
5-[3-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]piperidin-1-yl]-2-methylpyridazin-3-one
CID 53203901
(2-pyrrolidin-1-ylphenyl)-[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]methanone
CID 68839610
(2-pyrrolidin-1-ylphenyl)-thiomorpholin-4-ylmethanone
CID 168513754
(1,5-dimethylpyrazol-4-yl)-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 51309191
4-bromo-5-[4-(2-fluorobenzoyl)piperazin-1-yl]-2-methylpyridazin-3-one
CID 133303219
3-[2-[4-(1-methyl-6-oxopyridazin-4-yl)piperazin-1-yl]-2-oxoethyl]-1,3-benzoxazol-2-one
CID 91780343
5-[4-(2-cyclopentyl-2-phenylacetyl)piperazin-1-yl]-2-methylpyridazin-3-one
CID 91777949
2-methyl-5-[4-(4-phenoxybutanoyl)piperazin-1-yl]pyridazin-3-one
CID 91774299
5-[4-(2,3-dihydro-1-benzofuran-2-carbonyl)piperazin-1-yl]-2-methylpyridazin-3-one
CID 91793828

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-[4-(2-pyrrolidin-1-ylbenzoyl)piperazin-1-yl]pyridazin-3-one?
The IUPAC name of 2-methyl-5-[4-(2-pyrrolidin-1-ylbenzoyl)piperazin-1-yl]pyridazin-3-one (CID 28909109) is 2-methyl-5-[4-(2-pyrrolidin-1-ylbenzoyl)piperazin-1-yl]pyridazin-3-one.
What is the SMILES notation for 2-methyl-5-[4-(2-pyrrolidin-1-ylbenzoyl)piperazin-1-yl]pyridazin-3-one?
The canonical SMILES for 2-methyl-5-[4-(2-pyrrolidin-1-ylbenzoyl)piperazin-1-yl]pyridazin-3-one is Cn1ncc(N2CCN(C(=O)c3ccccc3N3CCCC3)CC2)cc1=O.
What is the InChIKey of 2-methyl-5-[4-(2-pyrrolidin-1-ylbenzoyl)piperazin-1-yl]pyridazin-3-one?
The InChIKey is JYFRJMOHFNUFFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N5O2/c1-22-19(26)14-16(15-21-22)23-10-12-25(13-11-23)20(27)17-6-2-3-7-18(17)24-8-4-5-9-24/h2-3,6-7,14-15H,4-5,8-13H2,1H3.
What are the key properties of 2-methyl-5-[4-(2-pyrrolidin-1-ylbenzoyl)piperazin-1-yl]pyridazin-3-one?
2-methyl-5-[4-(2-pyrrolidin-1-ylbenzoyl)piperazin-1-yl]pyridazin-3-one has a molecular weight of 367.45 g/mol, XLogP of 1.34, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-[4-(2-pyrrolidin-1-ylbenzoyl)piperazin-1-yl]pyridazin-3-one is sourced from PubChem (CID 28909109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).