(9aR)-2-[6-(3,4-dimethoxyphenyl)pyridazin-3-yl]-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine

C20H26N4O2 — CID 58006674

IUPAC(9aR)-2-[6-(3,4-dimethoxyphenyl)pyridazin-3-yl]-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
SMILESCOc1ccc(-c2ccc(N3CCN4CCCC[C@@H]4C3)nn2)cc1OC
InChIInChI=1S/C20H26N4O2/c1-25-18-8-6-15(13-19(18)26-2)17-7-9-20(22-21-17)24-12-11-23-10-4-3-5-16(23)14-24/h6-9,13,16H,3-5,10-12,14H2,1-2H3/t16-/m1/s1
InChIKeyYQKVCRHVTHKFSB-MRXNPFEDSA-N
MW354.45 g/mol
LogP2.84
Rot. Bonds4

About (9aR)-2-[6-(3,4-dimethoxyphenyl)pyridazin-3-yl]-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine

(9aR)-2-[6-(3,4-dimethoxyphenyl)pyridazin-3-yl]-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine (PubChem CID 58006674) has the molecular formula C20H26N4O2 and a molecular weight of 354.45 g/mol. Its IUPAC name is (9aR)-2-[6-(3,4-dimethoxyphenyl)pyridazin-3-yl]-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine.

Molecular Properties

Compound Name(9aR)-2-[6-(3,4-dimethoxyphenyl)pyridazin-3-yl]-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
PubChem CID58006674
Molecular FormulaC20H26N4O2
Molecular Weight354.45 g/mol
Exact Mass354.21
IUPAC Name(9aR)-2-[6-(3,4-dimethoxyphenyl)pyridazin-3-yl]-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
SMILESCOc1ccc(-c2ccc(N3CCN4CCCC[C@@H]4C3)nn2)cc1OC
InChIInChI=1S/C20H26N4O2/c1-25-18-8-6-15(13-19(18)26-2)17-7-9-20(22-21-17)24-12-11-23-10-4-3-5-16(23)14-24/h6-9,13,16H,3-5,10-12,14H2,1-2H3/t16-/m1/s1
InChIKeyYQKVCRHVTHKFSB-MRXNPFEDSA-N
XLogP2.84
TPSA50.72 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-(2-methoxyphenyl)-6-(3-pyrrolidin-1-ylpyrrolidin-1-yl)pyridazine
CID 166260341
2-(5-chloro-2-methoxyphenyl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
CID 79929968
4-(4-cyclopentylpiperazin-1-yl)-6-(3,4-dimethoxyphenyl)pteridin-2-amine
CID 11453334
N-cyclopropyl-N-[2-[4-[6-(3,4-dimethoxyphenyl)pyridazin-3-yl]-1,4-diazepan-1-yl]-2-oxoethyl]cyclopropanecarboxamide
CID 46000776
2-(4-fluoro-2-methoxyphenyl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
CID 79929014
(8aR)-2-[6-[(8aS)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]pyrimidin-4-yl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 129429947
N-[2-[4-[6-(3,4-dimethoxyphenyl)pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]-N-propan-2-ylcyclopropanecarboxamide
CID 46148586
N-(3,4-dimethoxyphenyl)-1-[6-(3-methylphenyl)pyridazin-3-yl]piperidine-3-carboxamide
CID 53025140
3-(4-methoxyphenyl)-6-pyrrolidin-1-ylpyridazine
CID 101436801
N-butan-2-yl-N-[2-[4-[6-(3,4-dimethoxyphenyl)pyridazin-3-yl]-1,4-diazepan-1-yl]-2-oxoethyl]cyclobutanecarboxamide
CID 42833316
N-[2-[4-[6-(3,4-dimethoxyphenyl)pyridazin-3-yl]-1,4-diazepan-1-yl]-2-oxoethyl]-N-(2-methylpropyl)cyclobutanecarboxamide
CID 46000730
1-[4-[6-(3,4-dimethoxyphenyl)pyridazin-3-yl]piperazin-1-yl]-2-(4-methoxyphenyl)ethanone
CID 42110691

Frequently Asked Questions

What is the IUPAC name of (9aR)-2-[6-(3,4-dimethoxyphenyl)pyridazin-3-yl]-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine?
The IUPAC name of (9aR)-2-[6-(3,4-dimethoxyphenyl)pyridazin-3-yl]-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine (CID 58006674) is (9aR)-2-[6-(3,4-dimethoxyphenyl)pyridazin-3-yl]-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine.
What is the SMILES notation for (9aR)-2-[6-(3,4-dimethoxyphenyl)pyridazin-3-yl]-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine?
The canonical SMILES for (9aR)-2-[6-(3,4-dimethoxyphenyl)pyridazin-3-yl]-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine is COc1ccc(-c2ccc(N3CCN4CCCC[C@@H]4C3)nn2)cc1OC.
What is the InChIKey of (9aR)-2-[6-(3,4-dimethoxyphenyl)pyridazin-3-yl]-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine?
The InChIKey is YQKVCRHVTHKFSB-MRXNPFEDSA-N. The full InChI is InChI=1S/C20H26N4O2/c1-25-18-8-6-15(13-19(18)26-2)17-7-9-20(22-21-17)24-12-11-23-10-4-3-5-16(23)14-24/h6-9,13,16H,3-5,10-12,14H2,1-2H3/t16-/m1/s1.
What are the key properties of (9aR)-2-[6-(3,4-dimethoxyphenyl)pyridazin-3-yl]-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine?
(9aR)-2-[6-(3,4-dimethoxyphenyl)pyridazin-3-yl]-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine has a molecular weight of 354.45 g/mol, XLogP of 2.84, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (9aR)-2-[6-(3,4-dimethoxyphenyl)pyridazin-3-yl]-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine is sourced from PubChem (CID 58006674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).