2-[[1-(2-oxo-1H-pyrazin-3-yl)piperidin-4-yl]methyl]-6-pyridin-4-ylpyridazin-3-one

C19H20N6O2 — CID 126863740

IUPAC2-[[1-(2-oxo-1H-pyrazin-3-yl)piperidin-4-yl]methyl]-6-pyridin-4-ylpyridazin-3-one
SMILESO=c1[nH]ccnc1N1CCC(Cn2nc(-c3ccncc3)ccc2=O)CC1
InChIInChI=1S/C19H20N6O2/c26-17-2-1-16(15-3-7-20-8-4-15)23-25(17)13-14-5-11-24(12-6-14)18-19(27)22-10-9-21-18/h1-4,7-10,14H,5-6,11-13H2,(H,22,27)
InChIKeyFXLGYSCWROJONA-UHFFFAOYSA-N
MW364.41 g/mol
LogP1.31
Rot. Bonds4

About 2-[[1-(2-oxo-1H-pyrazin-3-yl)piperidin-4-yl]methyl]-6-pyridin-4-ylpyridazin-3-one

2-[[1-(2-oxo-1H-pyrazin-3-yl)piperidin-4-yl]methyl]-6-pyridin-4-ylpyridazin-3-one (PubChem CID 126863740) has the molecular formula C19H20N6O2 and a molecular weight of 364.41 g/mol. Its IUPAC name is 2-[[1-(2-oxo-1H-pyrazin-3-yl)piperidin-4-yl]methyl]-6-pyridin-4-ylpyridazin-3-one.

Molecular Properties

Compound Name2-[[1-(2-oxo-1H-pyrazin-3-yl)piperidin-4-yl]methyl]-6-pyridin-4-ylpyridazin-3-one
PubChem CID126863740
Molecular FormulaC19H20N6O2
Molecular Weight364.41 g/mol
Exact Mass364.16
IUPAC Name2-[[1-(2-oxo-1H-pyrazin-3-yl)piperidin-4-yl]methyl]-6-pyridin-4-ylpyridazin-3-one
SMILESO=c1[nH]ccnc1N1CCC(Cn2nc(-c3ccncc3)ccc2=O)CC1
InChIInChI=1S/C19H20N6O2/c26-17-2-1-16(15-3-7-20-8-4-15)23-25(17)13-14-5-11-24(12-6-14)18-19(27)22-10-9-21-18/h1-4,7-10,14H,5-6,11-13H2,(H,22,27)
InChIKeyFXLGYSCWROJONA-UHFFFAOYSA-N
XLogP1.31
TPSA96.77 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.41
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-[[1-(2-oxo-1H-pyrazin-3-yl)piperidin-4-yl]methyl]-6-pyridin-4-ylpyridazin-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

2-[[1-(2-methyl-4-pyridinyl)piperidin-4-yl]methyl]-6-pyridin-4-ylpyridazin-3-one
CID 126863499
2-[[1-(5-methyl-1,3,4-thiadiazol-2-yl)piperidin-4-yl]methyl]-6-pyridin-4-ylpyridazin-3-one
CID 126863543
2-[(1-phthalazin-1-ylpiperidin-4-yl)methyl]-6-pyridin-4-ylpyridazin-3-one
CID 126863563
6-(4-fluorophenyl)-2-[(1-pyrimidin-2-ylpiperidin-4-yl)methyl]pyridazin-3-one
CID 139023445
2-[[1-[2-(difluoromethyl)quinazolin-4-yl]piperidin-4-yl]methyl]-6-pyridin-4-ylpyridazin-3-one
CID 126863717
2-[(1-imidazo[1,2-b]pyridazin-6-ylpiperidin-4-yl)methyl]-6-pyridin-4-ylpyridazin-3-one
CID 126855700
3-[[1-(2-oxo-1H-pyrazin-3-yl)piperidin-4-yl]methyl]-6-pyridin-3-ylpyrimidin-4-one
CID 126943270
2-[[1-(2-hydroxycyclobutyl)piperidin-4-yl]methyl]-6-pyridin-4-ylpyridazin-3-one
CID 126863759
6-pyridin-4-yl-2-[[1-[3-(trifluoromethyl)-2-pyridinyl]azetidin-3-yl]methyl]pyridazin-3-one
CID 126929664
2-[[1-(1,2,4-oxadiazol-3-ylmethyl)piperidin-4-yl]methyl]-6-pyridin-4-ylpyridazin-3-one
CID 126863526
2-[[1-[(1-methyl-6-oxopyrimidin-2-yl)methyl]piperidin-4-yl]methyl]-6-pyridin-4-ylpyridazin-3-one
CID 126863595
2-[[1-(6-methoxyquinolin-4-yl)piperidin-4-yl]methyl]-6-pyridin-4-ylpyridazin-3-one
CID 126863495

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(2-oxo-1H-pyrazin-3-yl)piperidin-4-yl]methyl]-6-pyridin-4-ylpyridazin-3-one?
The IUPAC name of 2-[[1-(2-oxo-1H-pyrazin-3-yl)piperidin-4-yl]methyl]-6-pyridin-4-ylpyridazin-3-one (CID 126863740) is 2-[[1-(2-oxo-1H-pyrazin-3-yl)piperidin-4-yl]methyl]-6-pyridin-4-ylpyridazin-3-one.
What is the SMILES notation for 2-[[1-(2-oxo-1H-pyrazin-3-yl)piperidin-4-yl]methyl]-6-pyridin-4-ylpyridazin-3-one?
The canonical SMILES for 2-[[1-(2-oxo-1H-pyrazin-3-yl)piperidin-4-yl]methyl]-6-pyridin-4-ylpyridazin-3-one is O=c1[nH]ccnc1N1CCC(Cn2nc(-c3ccncc3)ccc2=O)CC1.
What is the InChIKey of 2-[[1-(2-oxo-1H-pyrazin-3-yl)piperidin-4-yl]methyl]-6-pyridin-4-ylpyridazin-3-one?
The InChIKey is FXLGYSCWROJONA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N6O2/c26-17-2-1-16(15-3-7-20-8-4-15)23-25(17)13-14-5-11-24(12-6-14)18-19(27)22-10-9-21-18/h1-4,7-10,14H,5-6,11-13H2,(H,22,27).
What are the key properties of 2-[[1-(2-oxo-1H-pyrazin-3-yl)piperidin-4-yl]methyl]-6-pyridin-4-ylpyridazin-3-one?
2-[[1-(2-oxo-1H-pyrazin-3-yl)piperidin-4-yl]methyl]-6-pyridin-4-ylpyridazin-3-one has a molecular weight of 364.41 g/mol, XLogP of 1.31, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(2-oxo-1H-pyrazin-3-yl)piperidin-4-yl]methyl]-6-pyridin-4-ylpyridazin-3-one is sourced from PubChem (CID 126863740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).