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

C20H26N6O3S — CID 121058275

IUPAC(1-methylsulfonylpiperidin-4-yl)-[4-(6-pyridin-4-ylpyridazin-3-yl)piperazin-1-yl]methanone
SMILESCS(=O)(=O)N1CCC(C(=O)N2CCN(c3ccc(-c4ccncc4)nn3)CC2)CC1
InChIInChI=1S/C20H26N6O3S/c1-30(28,29)26-10-6-17(7-11-26)20(27)25-14-12-24(13-15-25)19-3-2-18(22-23-19)16-4-8-21-9-5-16/h2-5,8-9,17H,6-7,10-15H2,1H3
InChIKeyCPVJDYYBLXAYTM-UHFFFAOYSA-N
MW430.53 g/mol
LogP0.86
Rot. Bonds4

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

(1-methylsulfonylpiperidin-4-yl)-[4-(6-pyridin-4-ylpyridazin-3-yl)piperazin-1-yl]methanone (PubChem CID 121058275) has the molecular formula C20H26N6O3S and a molecular weight of 430.53 g/mol. Its IUPAC name is (1-methylsulfonylpiperidin-4-yl)-[4-(6-pyridin-4-ylpyridazin-3-yl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(1-methylsulfonylpiperidin-4-yl)-[4-(6-pyridin-4-ylpyridazin-3-yl)piperazin-1-yl]methanone
PubChem CID121058275
Molecular FormulaC20H26N6O3S
Molecular Weight430.53 g/mol
Exact Mass430.18
IUPAC Name(1-methylsulfonylpiperidin-4-yl)-[4-(6-pyridin-4-ylpyridazin-3-yl)piperazin-1-yl]methanone
SMILESCS(=O)(=O)N1CCC(C(=O)N2CCN(c3ccc(-c4ccncc4)nn3)CC2)CC1
InChIInChI=1S/C20H26N6O3S/c1-30(28,29)26-10-6-17(7-11-26)20(27)25-14-12-24(13-15-25)19-3-2-18(22-23-19)16-4-8-21-9-5-16/h2-5,8-9,17H,6-7,10-15H2,1H3
InChIKeyCPVJDYYBLXAYTM-UHFFFAOYSA-N
XLogP0.86
TPSA99.60 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.53
LogP ≤ 50.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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

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Related Compounds

(4-methylsulfonylpiperazin-1-yl)-[1-(6-phenylpyridazin-3-yl)piperidin-4-yl]methanone
CID 121072082
[1-[6-(4-methoxyphenyl)pyridazin-3-yl]piperidin-4-yl]-(4-methylsulfonylpiperazin-1-yl)methanone
CID 121071926
3,4-dihydro-1H-isoquinolin-2-yl-[1-(6-pyridin-4-ylpyridazin-3-yl)piperidin-4-yl]methanone
CID 30364719
[4-[6-[(6-methyl-2-pyridinyl)amino]pyridazin-3-yl]piperazin-1-yl]-(1-methylsulfonylpiperidin-4-yl)methanone
CID 122347059
6-[4-(1-methylsulfonylpiperidine-4-carbonyl)piperazin-1-yl]pyridine-3-carbonitrile
CID 110645072
[4-(2-fluorophenyl)piperazin-1-yl]-[1-(6-phenylpyridazin-3-yl)piperidin-4-yl]methanone
CID 30866607
N-cyclopentyl-1-(6-pyridin-4-ylpyridazin-3-yl)piperidine-4-carboxamide
CID 30364801
(4-benzylpiperazin-1-yl)-[1-(6-phenylpyridazin-3-yl)piperidin-4-yl]methanone
CID 30866604
cyclopropyl-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]methanone
CID 110727399
cyclopropyl-[4-(6-cyclopropylpyridazin-3-yl)piperazin-1-yl]methanone
CID 122279215
N-(4-carbamoylphenyl)-1-(6-pyridin-4-ylpyridazin-3-yl)piperidine-4-carboxamide
CID 30364662
[4-(2-methoxyphenyl)piperazin-1-yl]-[1-[6-(4-methoxyphenyl)pyridazin-3-yl]piperidin-4-yl]methanone
CID 30361151

Frequently Asked Questions

What is the IUPAC name of (1-methylsulfonylpiperidin-4-yl)-[4-(6-pyridin-4-ylpyridazin-3-yl)piperazin-1-yl]methanone?
The IUPAC name of (1-methylsulfonylpiperidin-4-yl)-[4-(6-pyridin-4-ylpyridazin-3-yl)piperazin-1-yl]methanone (CID 121058275) is (1-methylsulfonylpiperidin-4-yl)-[4-(6-pyridin-4-ylpyridazin-3-yl)piperazin-1-yl]methanone.
What is the SMILES notation for (1-methylsulfonylpiperidin-4-yl)-[4-(6-pyridin-4-ylpyridazin-3-yl)piperazin-1-yl]methanone?
The canonical SMILES for (1-methylsulfonylpiperidin-4-yl)-[4-(6-pyridin-4-ylpyridazin-3-yl)piperazin-1-yl]methanone is CS(=O)(=O)N1CCC(C(=O)N2CCN(c3ccc(-c4ccncc4)nn3)CC2)CC1.
What is the InChIKey of (1-methylsulfonylpiperidin-4-yl)-[4-(6-pyridin-4-ylpyridazin-3-yl)piperazin-1-yl]methanone?
The InChIKey is CPVJDYYBLXAYTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N6O3S/c1-30(28,29)26-10-6-17(7-11-26)20(27)25-14-12-24(13-15-25)19-3-2-18(22-23-19)16-4-8-21-9-5-16/h2-5,8-9,17H,6-7,10-15H2,1H3.
What are the key properties of (1-methylsulfonylpiperidin-4-yl)-[4-(6-pyridin-4-ylpyridazin-3-yl)piperazin-1-yl]methanone?
(1-methylsulfonylpiperidin-4-yl)-[4-(6-pyridin-4-ylpyridazin-3-yl)piperazin-1-yl]methanone has a molecular weight of 430.53 g/mol, XLogP of 0.86, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methylsulfonylpiperidin-4-yl)-[4-(6-pyridin-4-ylpyridazin-3-yl)piperazin-1-yl]methanone is sourced from PubChem (CID 121058275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).