2-[(1-phthalazin-1-ylpiperidin-4-yl)methyl]-6-pyridin-4-ylpyridazin-3-one

C23H22N6O — CID 126863563

IUPAC2-[(1-phthalazin-1-ylpiperidin-4-yl)methyl]-6-pyridin-4-ylpyridazin-3-one
SMILESO=c1ccc(-c2ccncc2)nn1CC1CCN(c2nncc3ccccc23)CC1
InChIInChI=1S/C23H22N6O/c30-22-6-5-21(18-7-11-24-12-8-18)27-29(22)16-17-9-13-28(14-10-17)23-20-4-2-1-3-19(20)15-25-26-23/h1-8,11-12,15,17H,9-10,13-14,16H2
InChIKeyFYHJRPFBFXFULT-UHFFFAOYSA-N
MW398.47 g/mol
LogP3.17
Rot. Bonds4

About 2-[(1-phthalazin-1-ylpiperidin-4-yl)methyl]-6-pyridin-4-ylpyridazin-3-one

2-[(1-phthalazin-1-ylpiperidin-4-yl)methyl]-6-pyridin-4-ylpyridazin-3-one (PubChem CID 126863563) has the molecular formula C23H22N6O and a molecular weight of 398.47 g/mol. Its IUPAC name is 2-[(1-phthalazin-1-ylpiperidin-4-yl)methyl]-6-pyridin-4-ylpyridazin-3-one.

Molecular Properties

Compound Name2-[(1-phthalazin-1-ylpiperidin-4-yl)methyl]-6-pyridin-4-ylpyridazin-3-one
PubChem CID126863563
Molecular FormulaC23H22N6O
Molecular Weight398.47 g/mol
Exact Mass398.19
IUPAC Name2-[(1-phthalazin-1-ylpiperidin-4-yl)methyl]-6-pyridin-4-ylpyridazin-3-one
SMILESO=c1ccc(-c2ccncc2)nn1CC1CCN(c2nncc3ccccc23)CC1
InChIInChI=1S/C23H22N6O/c30-22-6-5-21(18-7-11-24-12-8-18)27-29(22)16-17-9-13-28(14-10-17)23-20-4-2-1-3-19(20)15-25-26-23/h1-8,11-12,15,17H,9-10,13-14,16H2
InChIKeyFYHJRPFBFXFULT-UHFFFAOYSA-N
XLogP3.17
TPSA76.80 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.47
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 2-[(1-phthalazin-1-ylpiperidin-4-yl)methyl]-6-pyridin-4-ylpyridazin-3-one with MolForge

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Related Compounds

6-cyclopropyl-2-[(1-phthalazin-1-ylpiperidin-4-yl)methyl]pyridazin-3-one
CID 126865320
3-[(1-phthalazin-1-ylpiperidin-4-yl)methyl]pyrimidin-4-one
CID 126944881
2-[[1-[2-(difluoromethyl)quinazolin-4-yl]piperidin-4-yl]methyl]-6-pyridin-4-ylpyridazin-3-one
CID 126863717
2-[[1-(2-oxo-1H-pyrazin-3-yl)piperidin-4-yl]methyl]-6-pyridin-4-ylpyridazin-3-one
CID 126863740
2-[[1-(5-methyl-1,3,4-thiadiazol-2-yl)piperidin-4-yl]methyl]-6-pyridin-4-ylpyridazin-3-one
CID 126863543
2-[[1-(2-methyl-4-pyridinyl)piperidin-4-yl]methyl]-6-pyridin-4-ylpyridazin-3-one
CID 126863499
3-[(1-phthalazin-1-ylpiperidin-4-yl)methyl]-6-propan-2-ylpyrimidin-4-one
CID 126942191
2-[[1-(2-hydroxycyclobutyl)piperidin-4-yl]methyl]-6-pyridin-4-ylpyridazin-3-one
CID 126863759
6-(4-fluorophenyl)-2-[(1-pyrimidin-2-ylpiperidin-4-yl)methyl]pyridazin-3-one
CID 139023445
2-[(1-imidazo[1,2-b]pyridazin-6-ylpiperidin-4-yl)methyl]-6-pyridin-4-ylpyridazin-3-one
CID 126855700
2-[[1-(isoquinoline-1-carbonyl)azetidin-3-yl]methyl]-6-pyridin-4-ylpyridazin-3-one
CID 126929610
2-[[1-[2-(difluoromethyl)quinazolin-4-yl]azetidin-3-yl]methyl]-6-pyridin-4-ylpyridazin-3-one
CID 126929847

Frequently Asked Questions

What is the IUPAC name of 2-[(1-phthalazin-1-ylpiperidin-4-yl)methyl]-6-pyridin-4-ylpyridazin-3-one?
The IUPAC name of 2-[(1-phthalazin-1-ylpiperidin-4-yl)methyl]-6-pyridin-4-ylpyridazin-3-one (CID 126863563) is 2-[(1-phthalazin-1-ylpiperidin-4-yl)methyl]-6-pyridin-4-ylpyridazin-3-one.
What is the SMILES notation for 2-[(1-phthalazin-1-ylpiperidin-4-yl)methyl]-6-pyridin-4-ylpyridazin-3-one?
The canonical SMILES for 2-[(1-phthalazin-1-ylpiperidin-4-yl)methyl]-6-pyridin-4-ylpyridazin-3-one is O=c1ccc(-c2ccncc2)nn1CC1CCN(c2nncc3ccccc23)CC1.
What is the InChIKey of 2-[(1-phthalazin-1-ylpiperidin-4-yl)methyl]-6-pyridin-4-ylpyridazin-3-one?
The InChIKey is FYHJRPFBFXFULT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N6O/c30-22-6-5-21(18-7-11-24-12-8-18)27-29(22)16-17-9-13-28(14-10-17)23-20-4-2-1-3-19(20)15-25-26-23/h1-8,11-12,15,17H,9-10,13-14,16H2.
What are the key properties of 2-[(1-phthalazin-1-ylpiperidin-4-yl)methyl]-6-pyridin-4-ylpyridazin-3-one?
2-[(1-phthalazin-1-ylpiperidin-4-yl)methyl]-6-pyridin-4-ylpyridazin-3-one has a molecular weight of 398.47 g/mol, XLogP of 3.17, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-phthalazin-1-ylpiperidin-4-yl)methyl]-6-pyridin-4-ylpyridazin-3-one is sourced from PubChem (CID 126863563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).