2-[[1-(5-methylpyrazolo[1,5-a]pyrimidin-7-yl)pyrrolidin-2-yl]methyl]pyridazin-3-one

C16H18N6O — CID 126923368

IUPAC2-[[1-(5-methylpyrazolo[1,5-a]pyrimidin-7-yl)pyrrolidin-2-yl]methyl]pyridazin-3-one
SMILESCc1cc(N2CCCC2Cn2ncccc2=O)n2nccc2n1
InChIInChI=1S/C16H18N6O/c1-12-10-15(22-14(19-12)6-8-18-22)20-9-3-4-13(20)11-21-16(23)5-2-7-17-21/h2,5-8,10,13H,3-4,9,11H2,1H3
InChIKeyMWGNVCIUTGIFQD-UHFFFAOYSA-N
MW310.36 g/mol
LogP1.26
Rot. Bonds3

About 2-[[1-(5-methylpyrazolo[1,5-a]pyrimidin-7-yl)pyrrolidin-2-yl]methyl]pyridazin-3-one

2-[[1-(5-methylpyrazolo[1,5-a]pyrimidin-7-yl)pyrrolidin-2-yl]methyl]pyridazin-3-one (PubChem CID 126923368) has the molecular formula C16H18N6O and a molecular weight of 310.36 g/mol. Its IUPAC name is 2-[[1-(5-methylpyrazolo[1,5-a]pyrimidin-7-yl)pyrrolidin-2-yl]methyl]pyridazin-3-one.

Molecular Properties

Compound Name2-[[1-(5-methylpyrazolo[1,5-a]pyrimidin-7-yl)pyrrolidin-2-yl]methyl]pyridazin-3-one
PubChem CID126923368
Molecular FormulaC16H18N6O
Molecular Weight310.36 g/mol
Exact Mass310.15
IUPAC Name2-[[1-(5-methylpyrazolo[1,5-a]pyrimidin-7-yl)pyrrolidin-2-yl]methyl]pyridazin-3-one
SMILESCc1cc(N2CCCC2Cn2ncccc2=O)n2nccc2n1
InChIInChI=1S/C16H18N6O/c1-12-10-15(22-14(19-12)6-8-18-22)20-9-3-4-13(20)11-21-16(23)5-2-7-17-21/h2,5-8,10,13H,3-4,9,11H2,1H3
InChIKeyMWGNVCIUTGIFQD-UHFFFAOYSA-N
XLogP1.26
TPSA68.32 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.36
LogP ≤ 51.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 2-[[1-(5-methylpyrazolo[1,5-a]pyrimidin-7-yl)pyrrolidin-2-yl]methyl]pyridazin-3-one with MolForge

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Related Compounds

2-[[1-(5-methylpyrazolo[1,5-a]pyrimidin-7-yl)pyrrolidin-2-yl]methyl]-7,8-dihydro-5H-thiopyrano[4,3-c]pyridazin-3-one
CID 126925593
2-[[1-(4,5-dimethyl-1,3-thiazol-2-yl)pyrrolidin-2-yl]methyl]pyridazin-3-one
CID 126923353
2-[(1-pyridin-4-ylpyrrolidin-2-yl)methyl]pyridazin-3-one
CID 126923152
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-(5,6,7,8-tetrahydrocinnolin-3-yl)pyrrolidin-2-yl]methyl]pyridazin-3-one
CID 126923364
2-[(1-pyrimidin-4-ylpyrrolidin-2-yl)methyl]pyridazin-3-one
CID 126923329
2-[[1-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)pyrrolidin-2-yl]methyl]pyridazin-3-one
CID 126923210
6-tert-butyl-2-[[1-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)pyrrolidin-2-yl]methyl]pyridazin-3-one
CID 126923928
2-[[1-[(5-methyl-1,2-oxazol-4-yl)methyl]pyrrolidin-2-yl]methyl]pyridazin-3-one
CID 126923188
2-[[1-(2-pyrrolidin-1-ylethyl)pyrrolidin-2-yl]methyl]pyridazin-3-one
CID 126923176
7-[3-(fluoromethyl)piperidin-1-yl]-5-methylpyrazolo[1,5-a]pyrimidine
CID 163343464
2-[[1-(5-methylpyrazolo[1,5-a]pyrimidin-7-yl)azetidin-3-yl]methyl]-6-(trifluoromethyl)pyridazin-3-one
CID 171995884

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(5-methylpyrazolo[1,5-a]pyrimidin-7-yl)pyrrolidin-2-yl]methyl]pyridazin-3-one?
The IUPAC name of 2-[[1-(5-methylpyrazolo[1,5-a]pyrimidin-7-yl)pyrrolidin-2-yl]methyl]pyridazin-3-one (CID 126923368) is 2-[[1-(5-methylpyrazolo[1,5-a]pyrimidin-7-yl)pyrrolidin-2-yl]methyl]pyridazin-3-one.
What is the SMILES notation for 2-[[1-(5-methylpyrazolo[1,5-a]pyrimidin-7-yl)pyrrolidin-2-yl]methyl]pyridazin-3-one?
The canonical SMILES for 2-[[1-(5-methylpyrazolo[1,5-a]pyrimidin-7-yl)pyrrolidin-2-yl]methyl]pyridazin-3-one is Cc1cc(N2CCCC2Cn2ncccc2=O)n2nccc2n1.
What is the InChIKey of 2-[[1-(5-methylpyrazolo[1,5-a]pyrimidin-7-yl)pyrrolidin-2-yl]methyl]pyridazin-3-one?
The InChIKey is MWGNVCIUTGIFQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N6O/c1-12-10-15(22-14(19-12)6-8-18-22)20-9-3-4-13(20)11-21-16(23)5-2-7-17-21/h2,5-8,10,13H,3-4,9,11H2,1H3.
What are the key properties of 2-[[1-(5-methylpyrazolo[1,5-a]pyrimidin-7-yl)pyrrolidin-2-yl]methyl]pyridazin-3-one?
2-[[1-(5-methylpyrazolo[1,5-a]pyrimidin-7-yl)pyrrolidin-2-yl]methyl]pyridazin-3-one has a molecular weight of 310.36 g/mol, XLogP of 1.26, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(5-methylpyrazolo[1,5-a]pyrimidin-7-yl)pyrrolidin-2-yl]methyl]pyridazin-3-one is sourced from PubChem (CID 126923368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).