3-[[1-(pyridazin-4-ylmethyl)piperidin-4-yl]methyl]-6-pyridin-4-ylpyrimidin-4-one

C20H22N6O — CID 126942699

IUPAC3-[[1-(pyridazin-4-ylmethyl)piperidin-4-yl]methyl]-6-pyridin-4-ylpyrimidin-4-one
SMILESO=c1cc(-c2ccncc2)ncn1CC1CCN(Cc2ccnnc2)CC1
InChIInChI=1S/C20H22N6O/c27-20-11-19(18-2-6-21-7-3-18)22-15-26(20)14-16-4-9-25(10-5-16)13-17-1-8-23-24-12-17/h1-3,6-8,11-12,15-16H,4-5,9-10,13-14H2
InChIKeyDTUYDUQRGKFVEK-UHFFFAOYSA-N
MW362.44 g/mol
LogP2.01
Rot. Bonds5

About 3-[[1-(pyridazin-4-ylmethyl)piperidin-4-yl]methyl]-6-pyridin-4-ylpyrimidin-4-one

3-[[1-(pyridazin-4-ylmethyl)piperidin-4-yl]methyl]-6-pyridin-4-ylpyrimidin-4-one (PubChem CID 126942699) has the molecular formula C20H22N6O and a molecular weight of 362.44 g/mol. Its IUPAC name is 3-[[1-(pyridazin-4-ylmethyl)piperidin-4-yl]methyl]-6-pyridin-4-ylpyrimidin-4-one.

Molecular Properties

Compound Name3-[[1-(pyridazin-4-ylmethyl)piperidin-4-yl]methyl]-6-pyridin-4-ylpyrimidin-4-one
PubChem CID126942699
Molecular FormulaC20H22N6O
Molecular Weight362.44 g/mol
Exact Mass362.19
IUPAC Name3-[[1-(pyridazin-4-ylmethyl)piperidin-4-yl]methyl]-6-pyridin-4-ylpyrimidin-4-one
SMILESO=c1cc(-c2ccncc2)ncn1CC1CCN(Cc2ccnnc2)CC1
InChIInChI=1S/C20H22N6O/c27-20-11-19(18-2-6-21-7-3-18)22-15-26(20)14-16-4-9-25(10-5-16)13-17-1-8-23-24-12-17/h1-3,6-8,11-12,15-16H,4-5,9-10,13-14H2
InChIKeyDTUYDUQRGKFVEK-UHFFFAOYSA-N
XLogP2.01
TPSA76.80 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.44
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 3-[[1-(pyridazin-4-ylmethyl)piperidin-4-yl]methyl]-6-pyridin-4-ylpyrimidin-4-one with MolForge

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Related Compounds

6-pyridin-4-yl-3-[[1-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-ylmethyl)piperidin-4-yl]methyl]pyrimidin-4-one
CID 126942667
3-[[1-(2-pyrazol-1-ylethyl)piperidin-4-yl]methyl]-6-pyridin-4-ylpyrimidin-4-one
CID 126942600
6-pyridin-4-yl-3-[[1-[[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-4-yl]methyl]pyrimidin-4-one
CID 126942652
3-[[1-(oxan-3-ylmethyl)piperidin-4-yl]methyl]-6-pyridin-4-ylpyrimidin-4-one
CID 126942798
3-[[1-(2-hydroxycyclobutyl)piperidin-4-yl]methyl]-6-pyridin-4-ylpyrimidin-4-one
CID 126942845
6-pyridin-4-yl-3-[[1-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-ylmethyl)piperidin-4-yl]methyl]pyrimidin-4-one
CID 126942741
3-[[1-[(2-methyl-4,5,6,7-tetrahydroindazol-3-yl)methyl]piperidin-4-yl]methyl]-6-pyridin-4-ylpyrimidin-4-one
CID 126942888
3-[[1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)piperidin-4-yl]methyl]-6-pyridin-4-ylpyrimidin-4-one
CID 126942655
6-pyridin-4-yl-3-[[1-(1,3,4-thiadiazol-2-yl)piperidin-4-yl]methyl]pyrimidin-4-one
CID 126942838
3-[[1-[(1-acetylpyrrolidin-2-yl)methyl]piperidin-4-yl]methyl]-6-pyridin-4-ylpyrimidin-4-one
CID 126942767
3-[[1-(cyclobutylmethyl)piperidin-4-yl]methyl]-6-pyridin-3-ylpyrimidin-4-one
CID 126943238
6-pyridin-4-yl-3-[[1-(1,3-thiazol-2-yl)piperidin-4-yl]methyl]pyrimidin-4-one
CID 126942580

Frequently Asked Questions

What is the IUPAC name of 3-[[1-(pyridazin-4-ylmethyl)piperidin-4-yl]methyl]-6-pyridin-4-ylpyrimidin-4-one?
The IUPAC name of 3-[[1-(pyridazin-4-ylmethyl)piperidin-4-yl]methyl]-6-pyridin-4-ylpyrimidin-4-one (CID 126942699) is 3-[[1-(pyridazin-4-ylmethyl)piperidin-4-yl]methyl]-6-pyridin-4-ylpyrimidin-4-one.
What is the SMILES notation for 3-[[1-(pyridazin-4-ylmethyl)piperidin-4-yl]methyl]-6-pyridin-4-ylpyrimidin-4-one?
The canonical SMILES for 3-[[1-(pyridazin-4-ylmethyl)piperidin-4-yl]methyl]-6-pyridin-4-ylpyrimidin-4-one is O=c1cc(-c2ccncc2)ncn1CC1CCN(Cc2ccnnc2)CC1.
What is the InChIKey of 3-[[1-(pyridazin-4-ylmethyl)piperidin-4-yl]methyl]-6-pyridin-4-ylpyrimidin-4-one?
The InChIKey is DTUYDUQRGKFVEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N6O/c27-20-11-19(18-2-6-21-7-3-18)22-15-26(20)14-16-4-9-25(10-5-16)13-17-1-8-23-24-12-17/h1-3,6-8,11-12,15-16H,4-5,9-10,13-14H2.
What are the key properties of 3-[[1-(pyridazin-4-ylmethyl)piperidin-4-yl]methyl]-6-pyridin-4-ylpyrimidin-4-one?
3-[[1-(pyridazin-4-ylmethyl)piperidin-4-yl]methyl]-6-pyridin-4-ylpyrimidin-4-one has a molecular weight of 362.44 g/mol, XLogP of 2.01, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[1-(pyridazin-4-ylmethyl)piperidin-4-yl]methyl]-6-pyridin-4-ylpyrimidin-4-one is sourced from PubChem (CID 126942699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).