2-(cyclopentylmethyl)-6-(3-fluoro-4-methoxyphenyl)-4-(piperazin-1-ylmethyl)pyridazin-3-one

C22H29FN4O2 — CID 10111611

IUPAC2-(cyclopentylmethyl)-6-(3-fluoro-4-methoxyphenyl)-4-(piperazin-1-ylmethyl)pyridazin-3-one
SMILESCOc1ccc(-c2cc(CN3CCNCC3)c(=O)n(CC3CCCC3)n2)cc1F
InChIInChI=1S/C22H29FN4O2/c1-29-21-7-6-17(12-19(21)23)20-13-18(15-26-10-8-24-9-11-26)22(28)27(25-20)14-16-4-2-3-5-16/h6-7,12-13,16,24H,2-5,8-11,14-15H2,1H3
InChIKeyHDDOMRKBLRSHGZ-UHFFFAOYSA-N
MW400.50 g/mol
LogP2.65
Rot. Bonds6

About 2-(cyclopentylmethyl)-6-(3-fluoro-4-methoxyphenyl)-4-(piperazin-1-ylmethyl)pyridazin-3-one

2-(cyclopentylmethyl)-6-(3-fluoro-4-methoxyphenyl)-4-(piperazin-1-ylmethyl)pyridazin-3-one (PubChem CID 10111611) has the molecular formula C22H29FN4O2 and a molecular weight of 400.50 g/mol. Its IUPAC name is 2-(cyclopentylmethyl)-6-(3-fluoro-4-methoxyphenyl)-4-(piperazin-1-ylmethyl)pyridazin-3-one.

Molecular Properties

Compound Name2-(cyclopentylmethyl)-6-(3-fluoro-4-methoxyphenyl)-4-(piperazin-1-ylmethyl)pyridazin-3-one
PubChem CID10111611
Molecular FormulaC22H29FN4O2
Molecular Weight400.50 g/mol
Exact Mass400.23
IUPAC Name2-(cyclopentylmethyl)-6-(3-fluoro-4-methoxyphenyl)-4-(piperazin-1-ylmethyl)pyridazin-3-one
SMILESCOc1ccc(-c2cc(CN3CCNCC3)c(=O)n(CC3CCCC3)n2)cc1F
InChIInChI=1S/C22H29FN4O2/c1-29-21-7-6-17(12-19(21)23)20-13-18(15-26-10-8-24-9-11-26)22(28)27(25-20)14-16-4-2-3-5-16/h6-7,12-13,16,24H,2-5,8-11,14-15H2,1H3
InChIKeyHDDOMRKBLRSHGZ-UHFFFAOYSA-N
XLogP2.65
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.50
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(cyclopropylmethyl)-6-(3-fluoro-4-methoxyphenyl)-4-(3-piperazin-1-ylpropyl)pyridazin-3-one
CID 10157823
4-[[bis(2-hydroxyethyl)amino]methyl]-2-(cyclopropylmethyl)-6-(3-fluoro-4-methoxyphenyl)pyridazin-3-one
CID 10200461
2-(cyclopropylmethyl)-6-(3-fluoro-4-methoxyphenyl)-N-methyl-3-oxopyridazine-4-carboxamide
CID 22452215
2-[3-(2-chlorophenyl)propyl]-6-(3-fluoro-4-methoxyphenyl)-4-[(4-methylpiperazin-1-yl)methyl]pyridazin-3-one
CID 10074092
2-[(E)-3-(4-chlorophenyl)prop-2-enyl]-6-(3-fluoro-4-methoxyphenyl)-4-[(4-methylpiperazin-1-yl)methyl]pyridazin-3-one;dihydrochloride
CID 22562228
4-(bromomethyl)-6-(3-fluoro-4-methoxyphenyl)-2-[(4-fluorophenyl)methyl]pyridazin-3-one
CID 23102902
2-[3-(4-chlorophenyl)prop-2-enyl]-6-(3-fluoro-4-methoxyphenyl)-4-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]pyridazin-3-one
CID 67213400
2-[1-(2-cyclohexylacetyl)piperidin-4-yl]-6-(3-fluoro-4-methoxyphenyl)pyridazin-3-one
CID 95807602
2-(cyclopentylmethyl)-6-(3-fluoro-4-methoxyphenyl)-4-[(4-methylpiperazin-1-yl)methyl]-1H-pyridazine
CID 141064921
6-(3-fluoro-4-methoxyphenyl)-5-methyl-2-(2-methylpropyl)-4-piperazin-1-ylpyridazin-3-one
CID 150946988
2-[[1-(cyclopentanecarbonyl)piperidin-4-yl]methyl]-6-(3,4-dimethoxyphenyl)pyridazin-3-one
CID 16669834
6-(3,4-dimethylphenyl)-2-(piperidin-4-ylmethyl)pyridazin-3-one
CID 82105302

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopentylmethyl)-6-(3-fluoro-4-methoxyphenyl)-4-(piperazin-1-ylmethyl)pyridazin-3-one?
The IUPAC name of 2-(cyclopentylmethyl)-6-(3-fluoro-4-methoxyphenyl)-4-(piperazin-1-ylmethyl)pyridazin-3-one (CID 10111611) is 2-(cyclopentylmethyl)-6-(3-fluoro-4-methoxyphenyl)-4-(piperazin-1-ylmethyl)pyridazin-3-one.
What is the SMILES notation for 2-(cyclopentylmethyl)-6-(3-fluoro-4-methoxyphenyl)-4-(piperazin-1-ylmethyl)pyridazin-3-one?
The canonical SMILES for 2-(cyclopentylmethyl)-6-(3-fluoro-4-methoxyphenyl)-4-(piperazin-1-ylmethyl)pyridazin-3-one is COc1ccc(-c2cc(CN3CCNCC3)c(=O)n(CC3CCCC3)n2)cc1F.
What is the InChIKey of 2-(cyclopentylmethyl)-6-(3-fluoro-4-methoxyphenyl)-4-(piperazin-1-ylmethyl)pyridazin-3-one?
The InChIKey is HDDOMRKBLRSHGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29FN4O2/c1-29-21-7-6-17(12-19(21)23)20-13-18(15-26-10-8-24-9-11-26)22(28)27(25-20)14-16-4-2-3-5-16/h6-7,12-13,16,24H,2-5,8-11,14-15H2,1H3.
What are the key properties of 2-(cyclopentylmethyl)-6-(3-fluoro-4-methoxyphenyl)-4-(piperazin-1-ylmethyl)pyridazin-3-one?
2-(cyclopentylmethyl)-6-(3-fluoro-4-methoxyphenyl)-4-(piperazin-1-ylmethyl)pyridazin-3-one has a molecular weight of 400.50 g/mol, XLogP of 2.65, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopentylmethyl)-6-(3-fluoro-4-methoxyphenyl)-4-(piperazin-1-ylmethyl)pyridazin-3-one is sourced from PubChem (CID 10111611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).