6-pyridin-4-yl-2-[(1-quinolin-8-ylsulfonylpyrrolidin-2-yl)methyl]pyridazin-3-one

C23H21N5O3S — CID 126926074

IUPAC6-pyridin-4-yl-2-[(1-quinolin-8-ylsulfonylpyrrolidin-2-yl)methyl]pyridazin-3-one
SMILESO=c1ccc(-c2ccncc2)nn1CC1CCCN1S(=O)(=O)c1cccc2cccnc12
InChIInChI=1S/C23H21N5O3S/c29-22-9-8-20(17-10-13-24-14-11-17)26-27(22)16-19-6-3-15-28(19)32(30,31)21-7-1-4-18-5-2-12-25-23(18)21/h1-2,4-5,7-14,19H,3,6,15-16H2
InChIKeyQREVLWNWMKVFGB-UHFFFAOYSA-N
MW447.52 g/mol
LogP2.71
Rot. Bonds5

About 6-pyridin-4-yl-2-[(1-quinolin-8-ylsulfonylpyrrolidin-2-yl)methyl]pyridazin-3-one

6-pyridin-4-yl-2-[(1-quinolin-8-ylsulfonylpyrrolidin-2-yl)methyl]pyridazin-3-one (PubChem CID 126926074) has the molecular formula C23H21N5O3S and a molecular weight of 447.52 g/mol. Its IUPAC name is 6-pyridin-4-yl-2-[(1-quinolin-8-ylsulfonylpyrrolidin-2-yl)methyl]pyridazin-3-one.

Molecular Properties

Compound Name6-pyridin-4-yl-2-[(1-quinolin-8-ylsulfonylpyrrolidin-2-yl)methyl]pyridazin-3-one
PubChem CID126926074
Molecular FormulaC23H21N5O3S
Molecular Weight447.52 g/mol
Exact Mass447.14
IUPAC Name6-pyridin-4-yl-2-[(1-quinolin-8-ylsulfonylpyrrolidin-2-yl)methyl]pyridazin-3-one
SMILESO=c1ccc(-c2ccncc2)nn1CC1CCCN1S(=O)(=O)c1cccc2cccnc12
InChIInChI=1S/C23H21N5O3S/c29-22-9-8-20(17-10-13-24-14-11-17)26-27(22)16-19-6-3-15-28(19)32(30,31)21-7-1-4-18-5-2-12-25-23(18)21/h1-2,4-5,7-14,19H,3,6,15-16H2
InChIKeyQREVLWNWMKVFGB-UHFFFAOYSA-N
XLogP2.71
TPSA98.05 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.52
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 6-pyridin-4-yl-2-[(1-quinolin-8-ylsulfonylpyrrolidin-2-yl)methyl]pyridazin-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-pyridin-4-yl-2-[[1-[3-(trifluoromethyl)-2-pyridinyl]pyrrolidin-2-yl]methyl]pyridazin-3-one
CID 126926087
6-pyridin-4-yl-2-[(1-pyridin-4-ylpyrrolidin-2-yl)methyl]pyridazin-3-one
CID 126926091
2-[[1-(2,3-dihydro-1-benzofuran-5-ylsulfonyl)pyrrolidin-2-yl]methyl]-6-pyridin-3-ylpyridazin-3-one
CID 126925695
2-[[1-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)pyrrolidin-2-yl]methyl]-6-pyridin-4-ylpyridazin-3-one
CID 126926318
2-[[1-(3-methyl-1,2,4-thiadiazol-5-yl)pyrrolidin-2-yl]methyl]-6-pyridin-4-ylpyridazin-3-one
CID 126926154
6-pyridin-4-yl-2-[[1-(6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-yl)pyrrolidin-2-yl]methyl]pyridazin-3-one
CID 126926308
8-[2-(4-fluorophenyl)pyrrolidin-1-yl]sulfonylquinoline
CID 2738249
6-pyridin-4-yl-2-[[1-[2-(1,2,4-triazol-1-yl)ethyl]pyrrolidin-2-yl]methyl]pyridazin-3-one
CID 126926229
2-[[1-(1-phenylcyclopropanecarbonyl)pyrrolidin-2-yl]methyl]-6-pyridin-4-ylpyridazin-3-one
CID 126926063
8-(4-quinolin-8-ylsulfonylpiperazin-1-yl)sulfonylquinoline
CID 4173018
6-[2-[(6-oxo-3-pyridin-4-ylpyridazin-1-yl)methyl]pyrrolidin-1-yl]pyridine-3-carbonitrile
CID 126926090
8-piperidin-1-ylsulfonylquinoline
CID 768759

Frequently Asked Questions

What is the IUPAC name of 6-pyridin-4-yl-2-[(1-quinolin-8-ylsulfonylpyrrolidin-2-yl)methyl]pyridazin-3-one?
The IUPAC name of 6-pyridin-4-yl-2-[(1-quinolin-8-ylsulfonylpyrrolidin-2-yl)methyl]pyridazin-3-one (CID 126926074) is 6-pyridin-4-yl-2-[(1-quinolin-8-ylsulfonylpyrrolidin-2-yl)methyl]pyridazin-3-one.
What is the SMILES notation for 6-pyridin-4-yl-2-[(1-quinolin-8-ylsulfonylpyrrolidin-2-yl)methyl]pyridazin-3-one?
The canonical SMILES for 6-pyridin-4-yl-2-[(1-quinolin-8-ylsulfonylpyrrolidin-2-yl)methyl]pyridazin-3-one is O=c1ccc(-c2ccncc2)nn1CC1CCCN1S(=O)(=O)c1cccc2cccnc12.
What is the InChIKey of 6-pyridin-4-yl-2-[(1-quinolin-8-ylsulfonylpyrrolidin-2-yl)methyl]pyridazin-3-one?
The InChIKey is QREVLWNWMKVFGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N5O3S/c29-22-9-8-20(17-10-13-24-14-11-17)26-27(22)16-19-6-3-15-28(19)32(30,31)21-7-1-4-18-5-2-12-25-23(18)21/h1-2,4-5,7-14,19H,3,6,15-16H2.
What are the key properties of 6-pyridin-4-yl-2-[(1-quinolin-8-ylsulfonylpyrrolidin-2-yl)methyl]pyridazin-3-one?
6-pyridin-4-yl-2-[(1-quinolin-8-ylsulfonylpyrrolidin-2-yl)methyl]pyridazin-3-one has a molecular weight of 447.52 g/mol, XLogP of 2.71, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-pyridin-4-yl-2-[(1-quinolin-8-ylsulfonylpyrrolidin-2-yl)methyl]pyridazin-3-one is sourced from PubChem (CID 126926074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).