(3,5-dimethoxyphenyl)-[4-(6-pyridin-4-ylpyridazin-3-yl)piperazin-1-yl]methanone

C22H23N5O3 — CID 25283655

IUPAC(3,5-dimethoxyphenyl)-[4-(6-pyridin-4-ylpyridazin-3-yl)piperazin-1-yl]methanone
SMILESCOc1cc(OC)cc(C(=O)N2CCN(c3ccc(-c4ccncc4)nn3)CC2)c1
InChIInChI=1S/C22H23N5O3/c1-29-18-13-17(14-19(15-18)30-2)22(28)27-11-9-26(10-12-27)21-4-3-20(24-25-21)16-5-7-23-8-6-16/h3-8,13-15H,9-12H2,1-2H3
InChIKeyJCXKJEGJXBTTJS-UHFFFAOYSA-N
MW405.46 g/mol
LogP2.52
Rot. Bonds5

About (3,5-dimethoxyphenyl)-[4-(6-pyridin-4-ylpyridazin-3-yl)piperazin-1-yl]methanone

(3,5-dimethoxyphenyl)-[4-(6-pyridin-4-ylpyridazin-3-yl)piperazin-1-yl]methanone (PubChem CID 25283655) has the molecular formula C22H23N5O3 and a molecular weight of 405.46 g/mol. Its IUPAC name is (3,5-dimethoxyphenyl)-[4-(6-pyridin-4-ylpyridazin-3-yl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(3,5-dimethoxyphenyl)-[4-(6-pyridin-4-ylpyridazin-3-yl)piperazin-1-yl]methanone
PubChem CID25283655
Molecular FormulaC22H23N5O3
Molecular Weight405.46 g/mol
Exact Mass405.18
IUPAC Name(3,5-dimethoxyphenyl)-[4-(6-pyridin-4-ylpyridazin-3-yl)piperazin-1-yl]methanone
SMILESCOc1cc(OC)cc(C(=O)N2CCN(c3ccc(-c4ccncc4)nn3)CC2)c1
InChIInChI=1S/C22H23N5O3/c1-29-18-13-17(14-19(15-18)30-2)22(28)27-11-9-26(10-12-27)21-4-3-20(24-25-21)16-5-7-23-8-6-16/h3-8,13-15H,9-12H2,1-2H3
InChIKeyJCXKJEGJXBTTJS-UHFFFAOYSA-N
XLogP2.52
TPSA80.68 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.46
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (3,5-dimethoxyphenyl)-[4-(6-pyridin-4-ylpyridazin-3-yl)piperazin-1-yl]methanone?
The IUPAC name of (3,5-dimethoxyphenyl)-[4-(6-pyridin-4-ylpyridazin-3-yl)piperazin-1-yl]methanone (CID 25283655) is (3,5-dimethoxyphenyl)-[4-(6-pyridin-4-ylpyridazin-3-yl)piperazin-1-yl]methanone.
What is the SMILES notation for (3,5-dimethoxyphenyl)-[4-(6-pyridin-4-ylpyridazin-3-yl)piperazin-1-yl]methanone?
The canonical SMILES for (3,5-dimethoxyphenyl)-[4-(6-pyridin-4-ylpyridazin-3-yl)piperazin-1-yl]methanone is COc1cc(OC)cc(C(=O)N2CCN(c3ccc(-c4ccncc4)nn3)CC2)c1.
What is the InChIKey of (3,5-dimethoxyphenyl)-[4-(6-pyridin-4-ylpyridazin-3-yl)piperazin-1-yl]methanone?
The InChIKey is JCXKJEGJXBTTJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N5O3/c1-29-18-13-17(14-19(15-18)30-2)22(28)27-11-9-26(10-12-27)21-4-3-20(24-25-21)16-5-7-23-8-6-16/h3-8,13-15H,9-12H2,1-2H3.
What are the key properties of (3,5-dimethoxyphenyl)-[4-(6-pyridin-4-ylpyridazin-3-yl)piperazin-1-yl]methanone?
(3,5-dimethoxyphenyl)-[4-(6-pyridin-4-ylpyridazin-3-yl)piperazin-1-yl]methanone has a molecular weight of 405.46 g/mol, XLogP of 2.52, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dimethoxyphenyl)-[4-(6-pyridin-4-ylpyridazin-3-yl)piperazin-1-yl]methanone is sourced from PubChem (CID 25283655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).