3-methoxy-6-[3-(3-piperidin-1-ylpyrrolidin-1-yl)phenoxy]pyridazine

C20H26N4O2 — CID 68736580

IUPAC3-methoxy-6-[3-(3-piperidin-1-ylpyrrolidin-1-yl)phenoxy]pyridazine
SMILESCOc1ccc(Oc2cccc(N3CCC(N4CCCCC4)C3)c2)nn1
InChIInChI=1S/C20H26N4O2/c1-25-19-8-9-20(22-21-19)26-18-7-5-6-16(14-18)24-13-10-17(15-24)23-11-3-2-4-12-23/h5-9,14,17H,2-4,10-13,15H2,1H3
InChIKeyUJQLHXGTDYIENY-UHFFFAOYSA-N
MW354.45 g/mol
LogP3.34
Rot. Bonds5

About 3-methoxy-6-[3-(3-piperidin-1-ylpyrrolidin-1-yl)phenoxy]pyridazine

3-methoxy-6-[3-(3-piperidin-1-ylpyrrolidin-1-yl)phenoxy]pyridazine (PubChem CID 68736580) has the molecular formula C20H26N4O2 and a molecular weight of 354.45 g/mol. Its IUPAC name is 3-methoxy-6-[3-(3-piperidin-1-ylpyrrolidin-1-yl)phenoxy]pyridazine.

Molecular Properties

Compound Name3-methoxy-6-[3-(3-piperidin-1-ylpyrrolidin-1-yl)phenoxy]pyridazine
PubChem CID68736580
Molecular FormulaC20H26N4O2
Molecular Weight354.45 g/mol
Exact Mass354.21
IUPAC Name3-methoxy-6-[3-(3-piperidin-1-ylpyrrolidin-1-yl)phenoxy]pyridazine
SMILESCOc1ccc(Oc2cccc(N3CCC(N4CCCCC4)C3)c2)nn1
InChIInChI=1S/C20H26N4O2/c1-25-19-8-9-20(22-21-19)26-18-7-5-6-16(14-18)24-13-10-17(15-24)23-11-3-2-4-12-23/h5-9,14,17H,2-4,10-13,15H2,1H3
InChIKeyUJQLHXGTDYIENY-UHFFFAOYSA-N
XLogP3.34
TPSA50.72 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-(3-piperidin-1-ylpyrrolidin-1-yl)aniline
CID 63168101
2-(3-ethoxyphenyl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
CID 79930155
2-methoxy-4-(3-pyrrolidin-1-ylpyrrolidin-1-yl)aniline
CID 55231767
1-[1-(3-methoxyphenyl)piperidin-4-yl]-4-methylpiperazine
CID 123493648
1-(3-methoxyphenyl)azepane
CID 57276431
2-(3-methylphenyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 79930620
1-[1-(6-methoxy-2-pyridinyl)pyrrolidin-3-yl]piperidin-4-amine
CID 80553095
(3S)-1-(3-methoxyphenyl)pyrrolidine-3-carboxylic acid
CID 28875723
5-(3-piperidin-1-ylpyrrolidin-1-yl)pyridin-3-amine
CID 113424017
3-chloro-5-(3-piperidin-1-ylpyrrolidin-1-yl)pyridazine
CID 114478285
3-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-5-methoxyaniline
CID 80737825
2-methyl-3-(3-piperidin-1-ylpyrrolidin-1-yl)aniline
CID 55159356

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-6-[3-(3-piperidin-1-ylpyrrolidin-1-yl)phenoxy]pyridazine?
The IUPAC name of 3-methoxy-6-[3-(3-piperidin-1-ylpyrrolidin-1-yl)phenoxy]pyridazine (CID 68736580) is 3-methoxy-6-[3-(3-piperidin-1-ylpyrrolidin-1-yl)phenoxy]pyridazine.
What is the SMILES notation for 3-methoxy-6-[3-(3-piperidin-1-ylpyrrolidin-1-yl)phenoxy]pyridazine?
The canonical SMILES for 3-methoxy-6-[3-(3-piperidin-1-ylpyrrolidin-1-yl)phenoxy]pyridazine is COc1ccc(Oc2cccc(N3CCC(N4CCCCC4)C3)c2)nn1.
What is the InChIKey of 3-methoxy-6-[3-(3-piperidin-1-ylpyrrolidin-1-yl)phenoxy]pyridazine?
The InChIKey is UJQLHXGTDYIENY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O2/c1-25-19-8-9-20(22-21-19)26-18-7-5-6-16(14-18)24-13-10-17(15-24)23-11-3-2-4-12-23/h5-9,14,17H,2-4,10-13,15H2,1H3.
What are the key properties of 3-methoxy-6-[3-(3-piperidin-1-ylpyrrolidin-1-yl)phenoxy]pyridazine?
3-methoxy-6-[3-(3-piperidin-1-ylpyrrolidin-1-yl)phenoxy]pyridazine has a molecular weight of 354.45 g/mol, XLogP of 3.34, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-6-[3-(3-piperidin-1-ylpyrrolidin-1-yl)phenoxy]pyridazine is sourced from PubChem (CID 68736580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).