2-[[1-[(2-methylpyrimidin-5-yl)methyl]pyrrolidin-2-yl]methyl]-6-pyridin-3-ylpyridazin-3-one

C20H22N6O — CID 126925824

IUPAC2-[[1-[(2-methylpyrimidin-5-yl)methyl]pyrrolidin-2-yl]methyl]-6-pyridin-3-ylpyridazin-3-one
SMILESCc1ncc(CN2CCCC2Cn2nc(-c3cccnc3)ccc2=O)cn1
InChIInChI=1S/C20H22N6O/c1-15-22-10-16(11-23-15)13-25-9-3-5-18(25)14-26-20(27)7-6-19(24-26)17-4-2-8-21-12-17/h2,4,6-8,10-12,18H,3,5,9,13-14H2,1H3
InChIKeyJXCRJPGIAAHIJA-UHFFFAOYSA-N
MW362.44 g/mol
LogP2.07
Rot. Bonds5

About 2-[[1-[(2-methylpyrimidin-5-yl)methyl]pyrrolidin-2-yl]methyl]-6-pyridin-3-ylpyridazin-3-one

2-[[1-[(2-methylpyrimidin-5-yl)methyl]pyrrolidin-2-yl]methyl]-6-pyridin-3-ylpyridazin-3-one (PubChem CID 126925824) has the molecular formula C20H22N6O and a molecular weight of 362.44 g/mol. Its IUPAC name is 2-[[1-[(2-methylpyrimidin-5-yl)methyl]pyrrolidin-2-yl]methyl]-6-pyridin-3-ylpyridazin-3-one.

Molecular Properties

Compound Name2-[[1-[(2-methylpyrimidin-5-yl)methyl]pyrrolidin-2-yl]methyl]-6-pyridin-3-ylpyridazin-3-one
PubChem CID126925824
Molecular FormulaC20H22N6O
Molecular Weight362.44 g/mol
Exact Mass362.19
IUPAC Name2-[[1-[(2-methylpyrimidin-5-yl)methyl]pyrrolidin-2-yl]methyl]-6-pyridin-3-ylpyridazin-3-one
SMILESCc1ncc(CN2CCCC2Cn2nc(-c3cccnc3)ccc2=O)cn1
InChIInChI=1S/C20H22N6O/c1-15-22-10-16(11-23-15)13-25-9-3-5-18(25)14-26-20(27)7-6-19(24-26)17-4-2-8-21-12-17/h2,4,6-8,10-12,18H,3,5,9,13-14H2,1H3
InChIKeyJXCRJPGIAAHIJA-UHFFFAOYSA-N
XLogP2.07
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 ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 2-[[1-[(2-methylpyrimidin-5-yl)methyl]pyrrolidin-2-yl]methyl]-6-pyridin-3-ylpyridazin-3-one with MolForge

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Related Compounds

2-[[1-[(6-methylpyrazin-2-yl)methyl]pyrrolidin-2-yl]methyl]-6-pyridin-3-ylpyridazin-3-one
CID 126925818
2-[[1-[(2-cyclopropylpyrimidin-4-yl)methyl]pyrrolidin-2-yl]methyl]-6-pyridin-3-ylpyridazin-3-one
CID 126925827
2-[[1-(6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-3-ylmethyl)pyrrolidin-2-yl]methyl]-6-pyridin-3-ylpyridazin-3-one
CID 126925810
2-[[1-(5,6-dihydro-4H-cyclopenta[d][1,2]oxazol-3-ylmethyl)pyrrolidin-2-yl]methyl]-6-pyridin-3-ylpyridazin-3-one
CID 126925883
2-[[1-(2-imidazol-1-ylethyl)pyrrolidin-2-yl]methyl]-6-pyridin-3-ylpyridazin-3-one
CID 126925868
2-[[1-(1-methyl-6-oxopyridazin-3-yl)pyrrolidin-2-yl]methyl]-6-pyridin-3-ylpyridazin-3-one
CID 126925964
2-[[1-(5-cyclopropylpyrimidin-2-yl)pyrrolidin-2-yl]methyl]-6-pyridin-3-ylpyridazin-3-one
CID 126925926
4-[[2-[(6-oxo-3-pyridin-4-ylpyridazin-1-yl)methyl]pyrrolidin-1-yl]methyl]benzonitrile
CID 126926126
2-[[1-(morpholine-4-carbonyl)pyrrolidin-2-yl]methyl]-6-pyridin-3-ylpyridazin-3-one
CID 126925649
2-[[1-(1,6-dimethylpyrazolo[5,4-d]pyrimidin-4-yl)pyrrolidin-2-yl]methyl]-6-pyridin-3-ylpyridazin-3-one
CID 126925768
2-[[1-(3,5-dimethyl-1H-pyrazole-4-carbonyl)pyrrolidin-2-yl]methyl]-6-pyridin-3-ylpyridazin-3-one
CID 126925665
2-[[1-[(2-cyclobutylpyrimidin-5-yl)methyl]pyrrolidin-2-yl]methyl]-6-cyclopropylpyridazin-3-one
CID 126923616

Frequently Asked Questions

What is the IUPAC name of 2-[[1-[(2-methylpyrimidin-5-yl)methyl]pyrrolidin-2-yl]methyl]-6-pyridin-3-ylpyridazin-3-one?
The IUPAC name of 2-[[1-[(2-methylpyrimidin-5-yl)methyl]pyrrolidin-2-yl]methyl]-6-pyridin-3-ylpyridazin-3-one (CID 126925824) is 2-[[1-[(2-methylpyrimidin-5-yl)methyl]pyrrolidin-2-yl]methyl]-6-pyridin-3-ylpyridazin-3-one.
What is the SMILES notation for 2-[[1-[(2-methylpyrimidin-5-yl)methyl]pyrrolidin-2-yl]methyl]-6-pyridin-3-ylpyridazin-3-one?
The canonical SMILES for 2-[[1-[(2-methylpyrimidin-5-yl)methyl]pyrrolidin-2-yl]methyl]-6-pyridin-3-ylpyridazin-3-one is Cc1ncc(CN2CCCC2Cn2nc(-c3cccnc3)ccc2=O)cn1.
What is the InChIKey of 2-[[1-[(2-methylpyrimidin-5-yl)methyl]pyrrolidin-2-yl]methyl]-6-pyridin-3-ylpyridazin-3-one?
The InChIKey is JXCRJPGIAAHIJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N6O/c1-15-22-10-16(11-23-15)13-25-9-3-5-18(25)14-26-20(27)7-6-19(24-26)17-4-2-8-21-12-17/h2,4,6-8,10-12,18H,3,5,9,13-14H2,1H3.
What are the key properties of 2-[[1-[(2-methylpyrimidin-5-yl)methyl]pyrrolidin-2-yl]methyl]-6-pyridin-3-ylpyridazin-3-one?
2-[[1-[(2-methylpyrimidin-5-yl)methyl]pyrrolidin-2-yl]methyl]-6-pyridin-3-ylpyridazin-3-one has a molecular weight of 362.44 g/mol, XLogP of 2.07, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-[(2-methylpyrimidin-5-yl)methyl]pyrrolidin-2-yl]methyl]-6-pyridin-3-ylpyridazin-3-one is sourced from PubChem (CID 126925824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).