4-(4-methoxyphenoxy)-5-piperidin-1-yl-2-(4-propan-2-ylphenyl)pyridazin-3-one

C25H29N3O3 — CID 46172928

IUPAC4-(4-methoxyphenoxy)-5-piperidin-1-yl-2-(4-propan-2-ylphenyl)pyridazin-3-one
SMILESCOc1ccc(Oc2c(N3CCCCC3)cnn(-c3ccc(C(C)C)cc3)c2=O)cc1
InChIInChI=1S/C25H29N3O3/c1-18(2)19-7-9-20(10-8-19)28-25(29)24(31-22-13-11-21(30-3)12-14-22)23(17-26-28)27-15-5-4-6-16-27/h7-14,17-18H,4-6,15-16H2,1-3H3
InChIKeyWYJQRSZENMPIKY-UHFFFAOYSA-N
MW419.53 g/mol
LogP5.15
Rot. Bonds6

About 4-(4-methoxyphenoxy)-5-piperidin-1-yl-2-(4-propan-2-ylphenyl)pyridazin-3-one

4-(4-methoxyphenoxy)-5-piperidin-1-yl-2-(4-propan-2-ylphenyl)pyridazin-3-one (PubChem CID 46172928) has the molecular formula C25H29N3O3 and a molecular weight of 419.53 g/mol. Its IUPAC name is 4-(4-methoxyphenoxy)-5-piperidin-1-yl-2-(4-propan-2-ylphenyl)pyridazin-3-one.

Molecular Properties

Compound Name4-(4-methoxyphenoxy)-5-piperidin-1-yl-2-(4-propan-2-ylphenyl)pyridazin-3-one
PubChem CID46172928
Molecular FormulaC25H29N3O3
Molecular Weight419.53 g/mol
Exact Mass419.22
IUPAC Name4-(4-methoxyphenoxy)-5-piperidin-1-yl-2-(4-propan-2-ylphenyl)pyridazin-3-one
SMILESCOc1ccc(Oc2c(N3CCCCC3)cnn(-c3ccc(C(C)C)cc3)c2=O)cc1
InChIInChI=1S/C25H29N3O3/c1-18(2)19-7-9-20(10-8-19)28-25(29)24(31-22-13-11-21(30-3)12-14-22)23(17-26-28)27-15-5-4-6-16-27/h7-14,17-18H,4-6,15-16H2,1-3H3
InChIKeyWYJQRSZENMPIKY-UHFFFAOYSA-N
XLogP5.15
TPSA56.59 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500419.53
LogP ≤ 55.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

5-chloro-4-(4-chlorophenoxy)-2-(4-propan-2-ylphenyl)pyridazin-3-one
CID 46172932
5-chloro-4-(4-methoxyphenoxy)-2-(4-methoxyphenyl)pyridazin-3-one
CID 50904469
5-chloro-4-(4-methoxyphenoxy)-2-(4-methylphenyl)pyridazin-3-one
CID 1479652
2-(4-methylphenyl)-4-[4-(4-methylphenyl)phenoxy]-5-piperazin-1-ylpyridazin-3-one
CID 143481410
2-(4-chlorophenyl)-5-(4-methyl-1,4-diazepan-1-yl)-4-(4-phenylphenoxy)pyridazin-3-one
CID 58585218
2-(4-chlorophenyl)-5-(4-oxopiperidin-1-yl)-4-(4-phenylphenoxy)pyridazin-3-one
CID 58585409
5-chloro-2-(4-ethylphenyl)-4-(4-methoxyphenoxy)pyridazin-3-one
CID 46172935
2-(4-chlorophenyl)-4-[4-(4-hydroxyphenyl)phenoxy]-5-(4-methylpiperazin-1-yl)pyridazin-3-one
CID 58585176
2-(4-chlorophenyl)-5-(4-methylpiperazin-1-yl)-4-(4-phenylphenoxy)pyridazin-3-one;hydrochloride
CID 10075021
4-(4-bromophenoxy)-2-(4-chlorophenyl)-5-(4-hydroxypiperidin-1-yl)pyridazin-3-one
CID 58585333
4-[1-(4-methylphenyl)-6-oxo-5-(4-phenylphenoxy)pyridazin-4-yl]piperazine-1-carbaldehyde
CID 58585347
2-(4-chlorophenyl)-5-[4-(cyclopropanecarbonyl)piperazin-1-yl]-4-(4-phenylphenoxy)pyridazin-3-one
CID 58585389

Frequently Asked Questions

What is the IUPAC name of 4-(4-methoxyphenoxy)-5-piperidin-1-yl-2-(4-propan-2-ylphenyl)pyridazin-3-one?
The IUPAC name of 4-(4-methoxyphenoxy)-5-piperidin-1-yl-2-(4-propan-2-ylphenyl)pyridazin-3-one (CID 46172928) is 4-(4-methoxyphenoxy)-5-piperidin-1-yl-2-(4-propan-2-ylphenyl)pyridazin-3-one.
What is the SMILES notation for 4-(4-methoxyphenoxy)-5-piperidin-1-yl-2-(4-propan-2-ylphenyl)pyridazin-3-one?
The canonical SMILES for 4-(4-methoxyphenoxy)-5-piperidin-1-yl-2-(4-propan-2-ylphenyl)pyridazin-3-one is COc1ccc(Oc2c(N3CCCCC3)cnn(-c3ccc(C(C)C)cc3)c2=O)cc1.
What is the InChIKey of 4-(4-methoxyphenoxy)-5-piperidin-1-yl-2-(4-propan-2-ylphenyl)pyridazin-3-one?
The InChIKey is WYJQRSZENMPIKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N3O3/c1-18(2)19-7-9-20(10-8-19)28-25(29)24(31-22-13-11-21(30-3)12-14-22)23(17-26-28)27-15-5-4-6-16-27/h7-14,17-18H,4-6,15-16H2,1-3H3.
What are the key properties of 4-(4-methoxyphenoxy)-5-piperidin-1-yl-2-(4-propan-2-ylphenyl)pyridazin-3-one?
4-(4-methoxyphenoxy)-5-piperidin-1-yl-2-(4-propan-2-ylphenyl)pyridazin-3-one has a molecular weight of 419.53 g/mol, XLogP of 5.15, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methoxyphenoxy)-5-piperidin-1-yl-2-(4-propan-2-ylphenyl)pyridazin-3-one is sourced from PubChem (CID 46172928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).