2-[[1-[6-(dimethylamino)pyrimidin-4-yl]pyrrolidin-2-yl]methyl]-6-imidazol-1-ylpyridazin-3-one

C18H22N8O — CID 126926503

IUPAC2-[[1-[6-(dimethylamino)pyrimidin-4-yl]pyrrolidin-2-yl]methyl]-6-imidazol-1-ylpyridazin-3-one
SMILESCN(C)c1cc(N2CCCC2Cn2nc(-n3ccnc3)ccc2=O)ncn1
InChIInChI=1S/C18H22N8O/c1-23(2)16-10-17(21-12-20-16)25-8-3-4-14(25)11-26-18(27)6-5-15(22-26)24-9-7-19-13-24/h5-7,9-10,12-14H,3-4,8,11H2,1-2H3
InChIKeyRNQJUDJASOXINJ-UHFFFAOYSA-N
MW366.43 g/mol
LogP0.95
Rot. Bonds5

About 2-[[1-[6-(dimethylamino)pyrimidin-4-yl]pyrrolidin-2-yl]methyl]-6-imidazol-1-ylpyridazin-3-one

2-[[1-[6-(dimethylamino)pyrimidin-4-yl]pyrrolidin-2-yl]methyl]-6-imidazol-1-ylpyridazin-3-one (PubChem CID 126926503) has the molecular formula C18H22N8O and a molecular weight of 366.43 g/mol. Its IUPAC name is 2-[[1-[6-(dimethylamino)pyrimidin-4-yl]pyrrolidin-2-yl]methyl]-6-imidazol-1-ylpyridazin-3-one.

Molecular Properties

Compound Name2-[[1-[6-(dimethylamino)pyrimidin-4-yl]pyrrolidin-2-yl]methyl]-6-imidazol-1-ylpyridazin-3-one
PubChem CID126926503
Molecular FormulaC18H22N8O
Molecular Weight366.43 g/mol
Exact Mass366.19
IUPAC Name2-[[1-[6-(dimethylamino)pyrimidin-4-yl]pyrrolidin-2-yl]methyl]-6-imidazol-1-ylpyridazin-3-one
SMILESCN(C)c1cc(N2CCCC2Cn2nc(-n3ccnc3)ccc2=O)ncn1
InChIInChI=1S/C18H22N8O/c1-23(2)16-10-17(21-12-20-16)25-8-3-4-14(25)11-26-18(27)6-5-15(22-26)24-9-7-19-13-24/h5-7,9-10,12-14H,3-4,8,11H2,1-2H3
InChIKeyRNQJUDJASOXINJ-UHFFFAOYSA-N
XLogP0.95
TPSA84.97 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.43
LogP ≤ 50.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 2-[[1-[6-(dimethylamino)pyrimidin-4-yl]pyrrolidin-2-yl]methyl]-6-imidazol-1-ylpyridazin-3-one with MolForge

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Related Compounds

6-imidazol-1-yl-2-[(1-pyrazin-2-ylpyrrolidin-2-yl)methyl]pyridazin-3-one
CID 126926440
2-[[1-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)pyrrolidin-2-yl]methyl]-6-imidazol-1-ylpyridazin-3-one
CID 126926498
2-[[1-(2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)pyrrolidin-2-yl]methyl]-6-imidazol-1-ylpyridazin-3-one
CID 126926660
2-[[1-[6-(dimethylamino)pyrimidin-4-yl]pyrrolidin-2-yl]methyl]-7,8-dihydro-5H-thiopyrano[4,3-c]pyridazin-3-one
CID 126925412
2-[2-[(3-imidazol-1-yl-6-oxopyridazin-1-yl)methyl]pyrrolidin-1-yl]-3-methylquinazolin-4-one
CID 126926657
2-[[1-(cyclopentanecarbonyl)pyrrolidin-2-yl]methyl]-6-imidazol-1-ylpyridazin-3-one
CID 126926381
2-[[1-[(3,5-difluorophenyl)methyl]pyrrolidin-2-yl]methyl]-6-imidazol-1-ylpyridazin-3-one
CID 126926648
6-imidazol-1-yl-2-[[1-[(1-methyl-6-oxo-3-pyridinyl)methyl]pyrrolidin-2-yl]methyl]pyridazin-3-one
CID 126926545
2-[[1-[(2-cyclobutylpyrimidin-5-yl)methyl]pyrrolidin-2-yl]methyl]-6-imidazol-1-ylpyridazin-3-one
CID 126926538
6-imidazol-1-yl-2-[[1-[(6-methylpyrazin-2-yl)methyl]pyrrolidin-2-yl]methyl]pyridazin-3-one
CID 126926534
2-[[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrrolidin-2-yl]methyl]-6-imidazol-1-ylpyridazin-3-one
CID 126926475
6-imidazol-1-yl-2-[[1-(2-phenyltriazole-4-carbonyl)pyrrolidin-2-yl]methyl]pyridazin-3-one
CID 126926376

Frequently Asked Questions

What is the IUPAC name of 2-[[1-[6-(dimethylamino)pyrimidin-4-yl]pyrrolidin-2-yl]methyl]-6-imidazol-1-ylpyridazin-3-one?
The IUPAC name of 2-[[1-[6-(dimethylamino)pyrimidin-4-yl]pyrrolidin-2-yl]methyl]-6-imidazol-1-ylpyridazin-3-one (CID 126926503) is 2-[[1-[6-(dimethylamino)pyrimidin-4-yl]pyrrolidin-2-yl]methyl]-6-imidazol-1-ylpyridazin-3-one.
What is the SMILES notation for 2-[[1-[6-(dimethylamino)pyrimidin-4-yl]pyrrolidin-2-yl]methyl]-6-imidazol-1-ylpyridazin-3-one?
The canonical SMILES for 2-[[1-[6-(dimethylamino)pyrimidin-4-yl]pyrrolidin-2-yl]methyl]-6-imidazol-1-ylpyridazin-3-one is CN(C)c1cc(N2CCCC2Cn2nc(-n3ccnc3)ccc2=O)ncn1.
What is the InChIKey of 2-[[1-[6-(dimethylamino)pyrimidin-4-yl]pyrrolidin-2-yl]methyl]-6-imidazol-1-ylpyridazin-3-one?
The InChIKey is RNQJUDJASOXINJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N8O/c1-23(2)16-10-17(21-12-20-16)25-8-3-4-14(25)11-26-18(27)6-5-15(22-26)24-9-7-19-13-24/h5-7,9-10,12-14H,3-4,8,11H2,1-2H3.
What are the key properties of 2-[[1-[6-(dimethylamino)pyrimidin-4-yl]pyrrolidin-2-yl]methyl]-6-imidazol-1-ylpyridazin-3-one?
2-[[1-[6-(dimethylamino)pyrimidin-4-yl]pyrrolidin-2-yl]methyl]-6-imidazol-1-ylpyridazin-3-one has a molecular weight of 366.43 g/mol, XLogP of 0.95, 5 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-[6-(dimethylamino)pyrimidin-4-yl]pyrrolidin-2-yl]methyl]-6-imidazol-1-ylpyridazin-3-one is sourced from PubChem (CID 126926503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).