(4-methoxyphenyl)-[4-[6-[4-(oxolan-2-ylmethyl)piperazin-1-yl]pyridazin-3-yl]piperazin-1-yl]methanone

C25H34N6O3 — CID 121054018

IUPAC(4-methoxyphenyl)-[4-[6-[4-(oxolan-2-ylmethyl)piperazin-1-yl]pyridazin-3-yl]piperazin-1-yl]methanone
SMILESCOc1ccc(C(=O)N2CCN(c3ccc(N4CCN(CC5CCCO5)CC4)nn3)CC2)cc1
InChIInChI=1S/C25H34N6O3/c1-33-21-6-4-20(5-7-21)25(32)31-16-14-30(15-17-31)24-9-8-23(26-27-24)29-12-10-28(11-13-29)19-22-3-2-18-34-22/h4-9,22H,2-3,10-19H2,1H3
InChIKeyPPVWXCMVTFXFAH-UHFFFAOYSA-N
MW466.59 g/mol
LogP1.75
Rot. Bonds6

About (4-methoxyphenyl)-[4-[6-[4-(oxolan-2-ylmethyl)piperazin-1-yl]pyridazin-3-yl]piperazin-1-yl]methanone

(4-methoxyphenyl)-[4-[6-[4-(oxolan-2-ylmethyl)piperazin-1-yl]pyridazin-3-yl]piperazin-1-yl]methanone (PubChem CID 121054018) has the molecular formula C25H34N6O3 and a molecular weight of 466.59 g/mol. Its IUPAC name is (4-methoxyphenyl)-[4-[6-[4-(oxolan-2-ylmethyl)piperazin-1-yl]pyridazin-3-yl]piperazin-1-yl]methanone.

Molecular Properties

Compound Name(4-methoxyphenyl)-[4-[6-[4-(oxolan-2-ylmethyl)piperazin-1-yl]pyridazin-3-yl]piperazin-1-yl]methanone
PubChem CID121054018
Molecular FormulaC25H34N6O3
Molecular Weight466.59 g/mol
Exact Mass466.27
IUPAC Name(4-methoxyphenyl)-[4-[6-[4-(oxolan-2-ylmethyl)piperazin-1-yl]pyridazin-3-yl]piperazin-1-yl]methanone
SMILESCOc1ccc(C(=O)N2CCN(c3ccc(N4CCN(CC5CCCO5)CC4)nn3)CC2)cc1
InChIInChI=1S/C25H34N6O3/c1-33-21-6-4-20(5-7-21)25(32)31-16-14-30(15-17-31)24-9-8-23(26-27-24)29-12-10-28(11-13-29)19-22-3-2-18-34-22/h4-9,22H,2-3,10-19H2,1H3
InChIKeyPPVWXCMVTFXFAH-UHFFFAOYSA-N
XLogP1.75
TPSA74.27 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.59
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

N-(4-methoxyphenyl)-4-[6-[4-(oxolan-2-ylmethyl)piperazin-1-yl]pyridazin-3-yl]piperazine-1-carboxamide
CID 122336884
N-(3,5-dimethoxyphenyl)-4-[6-[4-(oxolan-2-ylmethyl)piperazin-1-yl]pyridazin-3-yl]piperazine-1-carboxamide
CID 122336889
1-(4-methoxyphenyl)-4-[4-[6-[4-(oxolan-2-ylmethyl)piperazin-1-yl]pyridazin-3-yl]piperazine-1-carbonyl]pyrrolidin-2-one
CID 122336973
(4-methoxyphenyl)-[4-(6-piperidin-1-ylpyridazin-3-yl)piperazin-1-yl]methanone
CID 7292395
(4-methoxyphenyl)-[4-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]piperazin-1-yl]methanone
CID 121053460
N-(4-ethoxyphenyl)-4-[6-[4-(oxolan-2-ylmethyl)piperazin-1-yl]pyridazin-3-yl]piperazine-1-carboxamide
CID 122336905
(2-bromophenyl)-[4-[6-[4-(oxolan-2-ylmethyl)piperazin-1-yl]pyridazin-3-yl]piperazin-1-yl]methanone
CID 121054063
(4-methylthiophen-2-yl)-[4-[6-[4-(oxolan-2-ylmethyl)piperazin-1-yl]pyridazin-3-yl]piperazin-1-yl]methanone
CID 122336998
[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]-[4-(oxolan-2-ylmethyl)piperazin-1-yl]methanone
CID 55494322
1-[4-[6-[4-(oxolan-2-ylmethyl)piperazin-1-yl]pyridazin-3-yl]piperazin-1-yl]-2-phenylethanone
CID 121054039
N-(2-methylphenyl)-4-[6-[4-(oxolan-2-ylmethyl)piperazin-1-yl]pyridazin-3-yl]piperazine-1-carboxamide
CID 122336906
2-indol-1-yl-1-[4-[6-[4-(oxolan-2-ylmethyl)piperazin-1-yl]pyridazin-3-yl]piperazin-1-yl]ethanone
CID 122337048

Frequently Asked Questions

What is the IUPAC name of (4-methoxyphenyl)-[4-[6-[4-(oxolan-2-ylmethyl)piperazin-1-yl]pyridazin-3-yl]piperazin-1-yl]methanone?
The IUPAC name of (4-methoxyphenyl)-[4-[6-[4-(oxolan-2-ylmethyl)piperazin-1-yl]pyridazin-3-yl]piperazin-1-yl]methanone (CID 121054018) is (4-methoxyphenyl)-[4-[6-[4-(oxolan-2-ylmethyl)piperazin-1-yl]pyridazin-3-yl]piperazin-1-yl]methanone.
What is the SMILES notation for (4-methoxyphenyl)-[4-[6-[4-(oxolan-2-ylmethyl)piperazin-1-yl]pyridazin-3-yl]piperazin-1-yl]methanone?
The canonical SMILES for (4-methoxyphenyl)-[4-[6-[4-(oxolan-2-ylmethyl)piperazin-1-yl]pyridazin-3-yl]piperazin-1-yl]methanone is COc1ccc(C(=O)N2CCN(c3ccc(N4CCN(CC5CCCO5)CC4)nn3)CC2)cc1.
What is the InChIKey of (4-methoxyphenyl)-[4-[6-[4-(oxolan-2-ylmethyl)piperazin-1-yl]pyridazin-3-yl]piperazin-1-yl]methanone?
The InChIKey is PPVWXCMVTFXFAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34N6O3/c1-33-21-6-4-20(5-7-21)25(32)31-16-14-30(15-17-31)24-9-8-23(26-27-24)29-12-10-28(11-13-29)19-22-3-2-18-34-22/h4-9,22H,2-3,10-19H2,1H3.
What are the key properties of (4-methoxyphenyl)-[4-[6-[4-(oxolan-2-ylmethyl)piperazin-1-yl]pyridazin-3-yl]piperazin-1-yl]methanone?
(4-methoxyphenyl)-[4-[6-[4-(oxolan-2-ylmethyl)piperazin-1-yl]pyridazin-3-yl]piperazin-1-yl]methanone has a molecular weight of 466.59 g/mol, XLogP of 1.75, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxyphenyl)-[4-[6-[4-(oxolan-2-ylmethyl)piperazin-1-yl]pyridazin-3-yl]piperazin-1-yl]methanone is sourced from PubChem (CID 121054018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).