(5-methylpyrazin-2-yl)-[4-(6-pyrrolidin-1-ylpyridazin-3-yl)piperazin-1-yl]methanone

C18H23N7O — CID 122334455

IUPAC(5-methylpyrazin-2-yl)-[4-(6-pyrrolidin-1-ylpyridazin-3-yl)piperazin-1-yl]methanone
SMILESCc1cnc(C(=O)N2CCN(c3ccc(N4CCCC4)nn3)CC2)cn1
InChIInChI=1S/C18H23N7O/c1-14-12-20-15(13-19-14)18(26)25-10-8-24(9-11-25)17-5-4-16(21-22-17)23-6-2-3-7-23/h4-5,12-13H,2-3,6-11H2,1H3
InChIKeyXSZDNDFSOOAXEG-UHFFFAOYSA-N
MW353.43 g/mol
LogP1.14
Rot. Bonds3

About (5-methylpyrazin-2-yl)-[4-(6-pyrrolidin-1-ylpyridazin-3-yl)piperazin-1-yl]methanone

(5-methylpyrazin-2-yl)-[4-(6-pyrrolidin-1-ylpyridazin-3-yl)piperazin-1-yl]methanone (PubChem CID 122334455) has the molecular formula C18H23N7O and a molecular weight of 353.43 g/mol. Its IUPAC name is (5-methylpyrazin-2-yl)-[4-(6-pyrrolidin-1-ylpyridazin-3-yl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(5-methylpyrazin-2-yl)-[4-(6-pyrrolidin-1-ylpyridazin-3-yl)piperazin-1-yl]methanone
PubChem CID122334455
Molecular FormulaC18H23N7O
Molecular Weight353.43 g/mol
Exact Mass353.20
IUPAC Name(5-methylpyrazin-2-yl)-[4-(6-pyrrolidin-1-ylpyridazin-3-yl)piperazin-1-yl]methanone
SMILESCc1cnc(C(=O)N2CCN(c3ccc(N4CCCC4)nn3)CC2)cn1
InChIInChI=1S/C18H23N7O/c1-14-12-20-15(13-19-14)18(26)25-10-8-24(9-11-25)17-5-4-16(21-22-17)23-6-2-3-7-23/h4-5,12-13H,2-3,6-11H2,1H3
InChIKeyXSZDNDFSOOAXEG-UHFFFAOYSA-N
XLogP1.14
TPSA78.35 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.43
LogP ≤ 51.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze (5-methylpyrazin-2-yl)-[4-(6-pyrrolidin-1-ylpyridazin-3-yl)piperazin-1-yl]methanone with MolForge

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Related Compounds

[4-(6-cyclopropylpyridazin-3-yl)piperazin-1-yl]-(5-methylpyrazin-2-yl)methanone
CID 122279513
[4-(6-methylpyridazin-3-yl)piperazin-1-yl]-(6-pyrrolidin-1-ylpyridazin-3-yl)methanone
CID 121027881
(5-methylpyrazin-2-yl)-[4-(2-piperidin-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 122344221
(5-methylpyrazin-2-yl)-[4-[6-(pyridin-2-ylamino)pyridazin-3-yl]piperazin-1-yl]methanone
CID 122347475
(5-methylpyrazin-2-yl)-[4-(piperidine-1-carbonyl)piperazin-1-yl]methanone
CID 30547276
1-[4-(6-pyrrolidin-1-ylpyridazine-3-carbonyl)piperazin-1-yl]ethanone
CID 109111741
(5-methyl-1,2-oxazol-3-yl)-[4-(6-piperidin-1-ylpyridazin-3-yl)piperazin-1-yl]methanone
CID 122334658
cyclopentyl-[4-(5-methylpyrazine-2-carbonyl)piperazin-1-yl]methanone
CID 38390846
1-[4-[6-(pyrrolidine-1-carbonyl)pyridazin-3-yl]piperazin-1-yl]ethanone
CID 109111901
(5-methyl-1,2-oxazol-4-yl)-[4-(6-pyrrolidin-1-ylpyridazin-3-yl)piperazin-1-yl]methanone
CID 122334399
[4-(2,3-dimethylphenyl)piperazin-1-yl]-(5-methylpyrazin-2-yl)methanone
CID 2712772
[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]-pyrrolidin-1-ylmethanone
CID 109111898

Frequently Asked Questions

What is the IUPAC name of (5-methylpyrazin-2-yl)-[4-(6-pyrrolidin-1-ylpyridazin-3-yl)piperazin-1-yl]methanone?
The IUPAC name of (5-methylpyrazin-2-yl)-[4-(6-pyrrolidin-1-ylpyridazin-3-yl)piperazin-1-yl]methanone (CID 122334455) is (5-methylpyrazin-2-yl)-[4-(6-pyrrolidin-1-ylpyridazin-3-yl)piperazin-1-yl]methanone.
What is the SMILES notation for (5-methylpyrazin-2-yl)-[4-(6-pyrrolidin-1-ylpyridazin-3-yl)piperazin-1-yl]methanone?
The canonical SMILES for (5-methylpyrazin-2-yl)-[4-(6-pyrrolidin-1-ylpyridazin-3-yl)piperazin-1-yl]methanone is Cc1cnc(C(=O)N2CCN(c3ccc(N4CCCC4)nn3)CC2)cn1.
What is the InChIKey of (5-methylpyrazin-2-yl)-[4-(6-pyrrolidin-1-ylpyridazin-3-yl)piperazin-1-yl]methanone?
The InChIKey is XSZDNDFSOOAXEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N7O/c1-14-12-20-15(13-19-14)18(26)25-10-8-24(9-11-25)17-5-4-16(21-22-17)23-6-2-3-7-23/h4-5,12-13H,2-3,6-11H2,1H3.
What are the key properties of (5-methylpyrazin-2-yl)-[4-(6-pyrrolidin-1-ylpyridazin-3-yl)piperazin-1-yl]methanone?
(5-methylpyrazin-2-yl)-[4-(6-pyrrolidin-1-ylpyridazin-3-yl)piperazin-1-yl]methanone has a molecular weight of 353.43 g/mol, XLogP of 1.14, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methylpyrazin-2-yl)-[4-(6-pyrrolidin-1-ylpyridazin-3-yl)piperazin-1-yl]methanone is sourced from PubChem (CID 122334455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).