[4-(pyridin-4-ylmethyl)piperazin-1-yl]-(6-pyrrolidin-1-ylpyridazin-3-yl)methanone

C19H24N6O — CID 121027865

IUPAC[4-(pyridin-4-ylmethyl)piperazin-1-yl]-(6-pyrrolidin-1-ylpyridazin-3-yl)methanone
SMILESO=C(c1ccc(N2CCCC2)nn1)N1CCN(Cc2ccncc2)CC1
InChIInChI=1S/C19H24N6O/c26-19(17-3-4-18(22-21-17)24-9-1-2-10-24)25-13-11-23(12-14-25)15-16-5-7-20-8-6-16/h3-8H,1-2,9-15H2
InChIKeyCXRHKOBIMSQPJL-UHFFFAOYSA-N
MW352.44 g/mol
LogP1.43
Rot. Bonds4

About [4-(pyridin-4-ylmethyl)piperazin-1-yl]-(6-pyrrolidin-1-ylpyridazin-3-yl)methanone

[4-(pyridin-4-ylmethyl)piperazin-1-yl]-(6-pyrrolidin-1-ylpyridazin-3-yl)methanone (PubChem CID 121027865) has the molecular formula C19H24N6O and a molecular weight of 352.44 g/mol. Its IUPAC name is [4-(pyridin-4-ylmethyl)piperazin-1-yl]-(6-pyrrolidin-1-ylpyridazin-3-yl)methanone.

Molecular Properties

Compound Name[4-(pyridin-4-ylmethyl)piperazin-1-yl]-(6-pyrrolidin-1-ylpyridazin-3-yl)methanone
PubChem CID121027865
Molecular FormulaC19H24N6O
Molecular Weight352.44 g/mol
Exact Mass352.20
IUPAC Name[4-(pyridin-4-ylmethyl)piperazin-1-yl]-(6-pyrrolidin-1-ylpyridazin-3-yl)methanone
SMILESO=C(c1ccc(N2CCCC2)nn1)N1CCN(Cc2ccncc2)CC1
InChIInChI=1S/C19H24N6O/c26-19(17-3-4-18(22-21-17)24-9-1-2-10-24)25-13-11-23(12-14-25)15-16-5-7-20-8-6-16/h3-8H,1-2,9-15H2
InChIKeyCXRHKOBIMSQPJL-UHFFFAOYSA-N
XLogP1.43
TPSA65.46 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.44
LogP ≤ 51.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [4-(pyridin-4-ylmethyl)piperazin-1-yl]-(6-pyrrolidin-1-ylpyridazin-3-yl)methanone with MolForge

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Related Compounds

(4-ethylpiperazin-1-yl)-(6-pyrrolidin-1-ylpyridazin-3-yl)methanone
CID 109111739
(4-benzylpiperazin-1-yl)-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]methanone
CID 109116153
1-[4-(6-pyrrolidin-1-ylpyridazine-3-carbonyl)piperazin-1-yl]ethanone
CID 109111741
[6-(4-ethylpiperazin-1-yl)pyridazin-3-yl]-pyrrolidin-1-ylmethanone
CID 109111899
N-phenyl-6-[4-(pyridin-4-ylmethyl)piperazin-1-yl]pyridazine-3-carboxamide
CID 133313399
[6-(4-ethylpiperazin-1-yl)pyridazin-3-yl]-piperidin-1-ylmethanone
CID 109112634
[4-(6-methylpyridazin-3-yl)piperazin-1-yl]-(6-pyrrolidin-1-ylpyridazin-3-yl)methanone
CID 121027881
1-[4-[6-(pyrrolidine-1-carbonyl)pyridazin-3-yl]piperazin-1-yl]ethanone
CID 109111901
6-piperidin-1-yl-N-(pyridin-4-ylmethyl)pyridazine-3-carboxamide
CID 109112480
[4-(pyridin-4-ylmethyl)piperazin-1-yl]-[1-[6-(1,2,4-triazol-1-yl)pyridazin-3-yl]piperidin-4-yl]methanone
CID 90601580
[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]-pyrrolidin-1-ylmethanone
CID 109111898
(4-benzylpiperazin-1-yl)-(2-pyrrolidin-1-yl-4-pyridinyl)methanone
CID 84574439

Frequently Asked Questions

What is the IUPAC name of [4-(pyridin-4-ylmethyl)piperazin-1-yl]-(6-pyrrolidin-1-ylpyridazin-3-yl)methanone?
The IUPAC name of [4-(pyridin-4-ylmethyl)piperazin-1-yl]-(6-pyrrolidin-1-ylpyridazin-3-yl)methanone (CID 121027865) is [4-(pyridin-4-ylmethyl)piperazin-1-yl]-(6-pyrrolidin-1-ylpyridazin-3-yl)methanone.
What is the SMILES notation for [4-(pyridin-4-ylmethyl)piperazin-1-yl]-(6-pyrrolidin-1-ylpyridazin-3-yl)methanone?
The canonical SMILES for [4-(pyridin-4-ylmethyl)piperazin-1-yl]-(6-pyrrolidin-1-ylpyridazin-3-yl)methanone is O=C(c1ccc(N2CCCC2)nn1)N1CCN(Cc2ccncc2)CC1.
What is the InChIKey of [4-(pyridin-4-ylmethyl)piperazin-1-yl]-(6-pyrrolidin-1-ylpyridazin-3-yl)methanone?
The InChIKey is CXRHKOBIMSQPJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N6O/c26-19(17-3-4-18(22-21-17)24-9-1-2-10-24)25-13-11-23(12-14-25)15-16-5-7-20-8-6-16/h3-8H,1-2,9-15H2.
What are the key properties of [4-(pyridin-4-ylmethyl)piperazin-1-yl]-(6-pyrrolidin-1-ylpyridazin-3-yl)methanone?
[4-(pyridin-4-ylmethyl)piperazin-1-yl]-(6-pyrrolidin-1-ylpyridazin-3-yl)methanone has a molecular weight of 352.44 g/mol, XLogP of 1.43, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(pyridin-4-ylmethyl)piperazin-1-yl]-(6-pyrrolidin-1-ylpyridazin-3-yl)methanone is sourced from PubChem (CID 121027865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).