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

C21H27N5O4 — CID 7292478

IUPAC(3,4-dimethoxyphenyl)-[4-(6-morpholin-4-ylpyridazin-3-yl)piperazin-1-yl]methanone
SMILESCOc1ccc(C(=O)N2CCN(c3ccc(N4CCOCC4)nn3)CC2)cc1OC
InChIInChI=1S/C21H27N5O4/c1-28-17-4-3-16(15-18(17)29-2)21(27)26-9-7-24(8-10-26)19-5-6-20(23-22-19)25-11-13-30-14-12-25/h3-6,15H,7-14H2,1-2H3
InChIKeyWHLLOMCVRQRYPI-UHFFFAOYSA-N
MW413.48 g/mol
LogP1.29
Rot. Bonds5

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

(3,4-dimethoxyphenyl)-[4-(6-morpholin-4-ylpyridazin-3-yl)piperazin-1-yl]methanone (PubChem CID 7292478) has the molecular formula C21H27N5O4 and a molecular weight of 413.48 g/mol. Its IUPAC name is (3,4-dimethoxyphenyl)-[4-(6-morpholin-4-ylpyridazin-3-yl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(3,4-dimethoxyphenyl)-[4-(6-morpholin-4-ylpyridazin-3-yl)piperazin-1-yl]methanone
PubChem CID7292478
Molecular FormulaC21H27N5O4
Molecular Weight413.48 g/mol
Exact Mass413.21
IUPAC Name(3,4-dimethoxyphenyl)-[4-(6-morpholin-4-ylpyridazin-3-yl)piperazin-1-yl]methanone
SMILESCOc1ccc(C(=O)N2CCN(c3ccc(N4CCOCC4)nn3)CC2)cc1OC
InChIInChI=1S/C21H27N5O4/c1-28-17-4-3-16(15-18(17)29-2)21(27)26-9-7-24(8-10-26)19-5-6-20(23-22-19)25-11-13-30-14-12-25/h3-6,15H,7-14H2,1-2H3
InChIKeyWHLLOMCVRQRYPI-UHFFFAOYSA-N
XLogP1.29
TPSA80.26 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.48
LogP ≤ 51.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of (3,4-dimethoxyphenyl)-[4-(6-morpholin-4-ylpyridazin-3-yl)piperazin-1-yl]methanone?
The IUPAC name of (3,4-dimethoxyphenyl)-[4-(6-morpholin-4-ylpyridazin-3-yl)piperazin-1-yl]methanone (CID 7292478) is (3,4-dimethoxyphenyl)-[4-(6-morpholin-4-ylpyridazin-3-yl)piperazin-1-yl]methanone.
What is the SMILES notation for (3,4-dimethoxyphenyl)-[4-(6-morpholin-4-ylpyridazin-3-yl)piperazin-1-yl]methanone?
The canonical SMILES for (3,4-dimethoxyphenyl)-[4-(6-morpholin-4-ylpyridazin-3-yl)piperazin-1-yl]methanone is COc1ccc(C(=O)N2CCN(c3ccc(N4CCOCC4)nn3)CC2)cc1OC.
What is the InChIKey of (3,4-dimethoxyphenyl)-[4-(6-morpholin-4-ylpyridazin-3-yl)piperazin-1-yl]methanone?
The InChIKey is WHLLOMCVRQRYPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N5O4/c1-28-17-4-3-16(15-18(17)29-2)21(27)26-9-7-24(8-10-26)19-5-6-20(23-22-19)25-11-13-30-14-12-25/h3-6,15H,7-14H2,1-2H3.
What are the key properties of (3,4-dimethoxyphenyl)-[4-(6-morpholin-4-ylpyridazin-3-yl)piperazin-1-yl]methanone?
(3,4-dimethoxyphenyl)-[4-(6-morpholin-4-ylpyridazin-3-yl)piperazin-1-yl]methanone has a molecular weight of 413.48 g/mol, XLogP of 1.29, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-dimethoxyphenyl)-[4-(6-morpholin-4-ylpyridazin-3-yl)piperazin-1-yl]methanone is sourced from PubChem (CID 7292478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).