[6-[4-(4-methoxyphenyl)piperazin-1-yl]pyridazin-3-yl]-pyrrolidin-1-ylmethanone

C20H25N5O2 — CID 109111969

IUPAC[6-[4-(4-methoxyphenyl)piperazin-1-yl]pyridazin-3-yl]-pyrrolidin-1-ylmethanone
SMILESCOc1ccc(N2CCN(c3ccc(C(=O)N4CCCC4)nn3)CC2)cc1
InChIInChI=1S/C20H25N5O2/c1-27-17-6-4-16(5-7-17)23-12-14-24(15-13-23)19-9-8-18(21-22-19)20(26)25-10-2-3-11-25/h4-9H,2-3,10-15H2,1H3
InChIKeyONPROXMKJQJSRW-UHFFFAOYSA-N
MW367.45 g/mol
LogP2.05
Rot. Bonds4

About [6-[4-(4-methoxyphenyl)piperazin-1-yl]pyridazin-3-yl]-pyrrolidin-1-ylmethanone

[6-[4-(4-methoxyphenyl)piperazin-1-yl]pyridazin-3-yl]-pyrrolidin-1-ylmethanone (PubChem CID 109111969) has the molecular formula C20H25N5O2 and a molecular weight of 367.45 g/mol. Its IUPAC name is [6-[4-(4-methoxyphenyl)piperazin-1-yl]pyridazin-3-yl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[6-[4-(4-methoxyphenyl)piperazin-1-yl]pyridazin-3-yl]-pyrrolidin-1-ylmethanone
PubChem CID109111969
Molecular FormulaC20H25N5O2
Molecular Weight367.45 g/mol
Exact Mass367.20
IUPAC Name[6-[4-(4-methoxyphenyl)piperazin-1-yl]pyridazin-3-yl]-pyrrolidin-1-ylmethanone
SMILESCOc1ccc(N2CCN(c3ccc(C(=O)N4CCCC4)nn3)CC2)cc1
InChIInChI=1S/C20H25N5O2/c1-27-17-6-4-16(5-7-17)23-12-14-24(15-13-23)19-9-8-18(21-22-19)20(26)25-10-2-3-11-25/h4-9H,2-3,10-15H2,1H3
InChIKeyONPROXMKJQJSRW-UHFFFAOYSA-N
XLogP2.05
TPSA61.80 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

[6-[4-(4-fluorophenyl)piperazin-1-yl]pyridazin-3-yl]-pyrrolidin-1-ylmethanone
CID 109111932
[4-(4-methoxyphenyl)piperazin-1-yl]-(6-methylpyridazin-3-yl)methanone
CID 110705277
1-[4-[4-(6-pyrrolidin-1-ylpyridazine-3-carbonyl)piperazin-1-yl]phenyl]ethanone
CID 121027795
[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]-pyrrolidin-1-ylmethanone
CID 109111898
1-[4-[6-(pyrrolidine-1-carbonyl)pyridazin-3-yl]piperazin-1-yl]ethanone
CID 109111901
[4-[4-(4-methoxyphenyl)piperazin-1-yl]-2-pyridinyl]-pyrrolidin-1-ylmethanone
CID 109203696
(4-methoxyphenyl)-[4-(6-piperidin-1-ylpyridazin-3-yl)piperazin-1-yl]methanone
CID 7292395
[6-(cyclopentylamino)pyridazin-3-yl]-[4-(4-methoxyphenyl)piperazin-1-yl]methanone
CID 109112159
[6-(4-ethylpiperazin-1-yl)pyridazin-3-yl]-pyrrolidin-1-ylmethanone
CID 109111899
[6-[4-(3-methylphenyl)piperazin-1-yl]pyridazin-3-yl]-piperidin-1-ylmethanone
CID 109112677
1-[4-(6-pyrrolidin-1-ylpyridazine-3-carbonyl)piperazin-1-yl]ethanone
CID 109111741
[6-(4-ethylpiperazin-1-yl)pyridazin-3-yl]-piperidin-1-ylmethanone
CID 109112634

Frequently Asked Questions

What is the IUPAC name of [6-[4-(4-methoxyphenyl)piperazin-1-yl]pyridazin-3-yl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [6-[4-(4-methoxyphenyl)piperazin-1-yl]pyridazin-3-yl]-pyrrolidin-1-ylmethanone (CID 109111969) is [6-[4-(4-methoxyphenyl)piperazin-1-yl]pyridazin-3-yl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [6-[4-(4-methoxyphenyl)piperazin-1-yl]pyridazin-3-yl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [6-[4-(4-methoxyphenyl)piperazin-1-yl]pyridazin-3-yl]-pyrrolidin-1-ylmethanone is COc1ccc(N2CCN(c3ccc(C(=O)N4CCCC4)nn3)CC2)cc1.
What is the InChIKey of [6-[4-(4-methoxyphenyl)piperazin-1-yl]pyridazin-3-yl]-pyrrolidin-1-ylmethanone?
The InChIKey is ONPROXMKJQJSRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N5O2/c1-27-17-6-4-16(5-7-17)23-12-14-24(15-13-23)19-9-8-18(21-22-19)20(26)25-10-2-3-11-25/h4-9H,2-3,10-15H2,1H3.
What are the key properties of [6-[4-(4-methoxyphenyl)piperazin-1-yl]pyridazin-3-yl]-pyrrolidin-1-ylmethanone?
[6-[4-(4-methoxyphenyl)piperazin-1-yl]pyridazin-3-yl]-pyrrolidin-1-ylmethanone has a molecular weight of 367.45 g/mol, XLogP of 2.05, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[4-(4-methoxyphenyl)piperazin-1-yl]pyridazin-3-yl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 109111969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).