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

C21H27N5O4 — CID 7292479

IUPAC(3,5-dimethoxyphenyl)-[4-(6-morpholin-4-ylpyridazin-3-yl)piperazin-1-yl]methanone
SMILESCOc1cc(OC)cc(C(=O)N2CCN(c3ccc(N4CCOCC4)nn3)CC2)c1
InChIInChI=1S/C21H27N5O4/c1-28-17-13-16(14-18(15-17)29-2)21(27)26-7-5-24(6-8-26)19-3-4-20(23-22-19)25-9-11-30-12-10-25/h3-4,13-15H,5-12H2,1-2H3
InChIKeyNNSMLHCRNHGZKG-UHFFFAOYSA-N
MW413.48 g/mol
LogP1.29
Rot. Bonds5

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

(3,5-dimethoxyphenyl)-[4-(6-morpholin-4-ylpyridazin-3-yl)piperazin-1-yl]methanone (PubChem CID 7292479) has the molecular formula C21H27N5O4 and a molecular weight of 413.48 g/mol. Its IUPAC name is (3,5-dimethoxyphenyl)-[4-(6-morpholin-4-ylpyridazin-3-yl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(3,5-dimethoxyphenyl)-[4-(6-morpholin-4-ylpyridazin-3-yl)piperazin-1-yl]methanone
PubChem CID7292479
Molecular FormulaC21H27N5O4
Molecular Weight413.48 g/mol
Exact Mass413.21
IUPAC Name(3,5-dimethoxyphenyl)-[4-(6-morpholin-4-ylpyridazin-3-yl)piperazin-1-yl]methanone
SMILESCOc1cc(OC)cc(C(=O)N2CCN(c3ccc(N4CCOCC4)nn3)CC2)c1
InChIInChI=1S/C21H27N5O4/c1-28-17-13-16(14-18(15-17)29-2)21(27)26-7-5-24(6-8-26)19-3-4-20(23-22-19)25-9-11-30-12-10-25/h3-4,13-15H,5-12H2,1-2H3
InChIKeyNNSMLHCRNHGZKG-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

Analyze (3,5-dimethoxyphenyl)-[4-(6-morpholin-4-ylpyridazin-3-yl)piperazin-1-yl]methanone with MolForge

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Related Compounds

(3-Methoxyphenyl)(4-(6-morpholinopyridazin-3-yl)piperazin-1-yl)methanone
CID 7292475
(4-Butoxyphenyl)(4-(6-morpholinopyridazin-3-yl)piperazin-1-yl)methanone
CID 7292477
(3,4-Dimethoxyphenyl)(4-(6-morpholinopyridazin-3-yl)piperazin-1-yl)methanone
CID 7292478
3-methoxy-N-[3-(6-morpholin-4-ylpyridazin-3-yl)phenyl]benzamide
CID 7422448
(2-Methoxyphenyl)(4-(6-morpholinopyridazin-3-yl)piperazin-1-yl)methanone
CID 7292474
N-phenyl-6-[4-(3,4,5-trimethoxybenzoyl)piperazin-1-yl]pyridazin-3-amine
CID 16032736
1-(4-Methoxyphenyl)-4-[4-(6-morpholin-4-ylpyridazin-3-yl)piperazin-1-yl]butane-1,4-dione
CID 5308096
N-[2-(2,4-Dimethoxyphenyl)ethyl]-1-[6-(morpholin-4-YL)pyridazin-3-YL]piperidine-4-carboxamide
CID 6622429
3,5-dimethoxy-N-(3-(6-morpholinopyridazin-3-yl)phenyl)benzamide
CID 7593190
1-[4-(6-Morpholin-4-ylpyridazin-3-yl)piperazin-1-yl]-3-(3,4,5-trimethoxyphenyl)propan-1-one
CID 5308484
3-[4-(3,5-Dimethoxybenzoyl)piperazin-1-yl]-6-(pyridin-4-yl)pyridazine
CID 25283655
(4-Methoxyphenyl)(4-(6-morpholinopyridazin-3-yl)piperazin-1-yl)methanone
CID 6622739

Frequently Asked Questions

What is the IUPAC name of (3,5-dimethoxyphenyl)-[4-(6-morpholin-4-ylpyridazin-3-yl)piperazin-1-yl]methanone?
The IUPAC name of (3,5-dimethoxyphenyl)-[4-(6-morpholin-4-ylpyridazin-3-yl)piperazin-1-yl]methanone (CID 7292479) is (3,5-dimethoxyphenyl)-[4-(6-morpholin-4-ylpyridazin-3-yl)piperazin-1-yl]methanone.
What is the SMILES notation for (3,5-dimethoxyphenyl)-[4-(6-morpholin-4-ylpyridazin-3-yl)piperazin-1-yl]methanone?
The canonical SMILES for (3,5-dimethoxyphenyl)-[4-(6-morpholin-4-ylpyridazin-3-yl)piperazin-1-yl]methanone is COc1cc(OC)cc(C(=O)N2CCN(c3ccc(N4CCOCC4)nn3)CC2)c1.
What is the InChIKey of (3,5-dimethoxyphenyl)-[4-(6-morpholin-4-ylpyridazin-3-yl)piperazin-1-yl]methanone?
The InChIKey is NNSMLHCRNHGZKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N5O4/c1-28-17-13-16(14-18(15-17)29-2)21(27)26-7-5-24(6-8-26)19-3-4-20(23-22-19)25-9-11-30-12-10-25/h3-4,13-15H,5-12H2,1-2H3.
What are the key properties of (3,5-dimethoxyphenyl)-[4-(6-morpholin-4-ylpyridazin-3-yl)piperazin-1-yl]methanone?
(3,5-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 (3,5-dimethoxyphenyl)-[4-(6-morpholin-4-ylpyridazin-3-yl)piperazin-1-yl]methanone is sourced from PubChem (CID 7292479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).