5,6-dimethyl-2-[1-(2-pyridin-2-ylacetyl)pyrrolidin-2-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one

C19H21N5O2 — CID 110214720

IUPAC5,6-dimethyl-2-[1-(2-pyridin-2-ylacetyl)pyrrolidin-2-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCc1nc2cc(C3CCCN3C(=O)Cc3ccccn3)[nH]n2c(=O)c1C
InChIInChI=1S/C19H21N5O2/c1-12-13(2)21-17-11-15(22-24(17)19(12)26)16-7-5-9-23(16)18(25)10-14-6-3-4-8-20-14/h3-4,6,8,11,16,22H,5,7,9-10H2,1-2H3
InChIKeyMFHCTPOIAILFFZ-UHFFFAOYSA-N
MW351.41 g/mol
LogP1.94
Rot. Bonds3

About 5,6-dimethyl-2-[1-(2-pyridin-2-ylacetyl)pyrrolidin-2-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one

5,6-dimethyl-2-[1-(2-pyridin-2-ylacetyl)pyrrolidin-2-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one (PubChem CID 110214720) has the molecular formula C19H21N5O2 and a molecular weight of 351.41 g/mol. Its IUPAC name is 5,6-dimethyl-2-[1-(2-pyridin-2-ylacetyl)pyrrolidin-2-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name5,6-dimethyl-2-[1-(2-pyridin-2-ylacetyl)pyrrolidin-2-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one
PubChem CID110214720
Molecular FormulaC19H21N5O2
Molecular Weight351.41 g/mol
Exact Mass351.17
IUPAC Name5,6-dimethyl-2-[1-(2-pyridin-2-ylacetyl)pyrrolidin-2-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCc1nc2cc(C3CCCN3C(=O)Cc3ccccn3)[nH]n2c(=O)c1C
InChIInChI=1S/C19H21N5O2/c1-12-13(2)21-17-11-15(22-24(17)19(12)26)16-7-5-9-23(16)18(25)10-14-6-3-4-8-20-14/h3-4,6,8,11,16,22H,5,7,9-10H2,1-2H3
InChIKeyMFHCTPOIAILFFZ-UHFFFAOYSA-N
XLogP1.94
TPSA83.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[1-[2-(3-methoxyphenyl)acetyl]pyrrolidin-2-yl]-5,6-dimethyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 110214719
2-[2-[2-(5,6-dimethyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-2-yl)pyrrolidin-1-yl]-2-oxoethyl]phthalazin-1-one
CID 110214741
2-(1-benzoylpiperidin-2-yl)-5,6-dimethyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 123507904
4-methyl-2-[1-(2-pyridin-2-ylacetyl)pyrrolidin-2-yl]-1H-pyrimidin-6-one
CID 136816533
benzyl 2-(5,6-dimethyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-2-yl)piperidine-1-carboxylate
CID 130205460
2-[1-(furan-2-carbonyl)pyrrolidin-2-yl]-5,6-dimethyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 110214716
5,6-dimethyl-2-[(2S)-1-[2-(methylamino)benzoyl]piperidin-2-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 58029804
2-[(2S)-1-(2-aminobenzoyl)piperidin-2-yl]-5,6-dimethyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 58029868
2-[1-[2-(2-fluorophenyl)acetyl]pyrrolidin-2-yl]-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 110214771
5,6-dimethyl-2-[1-(6-oxo-1H-pyridazine-3-carbonyl)pyrrolidin-2-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 110214727
5,6-dimethyl-2-(1-phenacylpiperidin-2-yl)-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 130193018
2-[(2R)-1-[(2R)-2-imidazol-1-ylpropanoyl]pyrrolidin-2-yl]-5,6-dimethyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 98061886

Frequently Asked Questions

What is the IUPAC name of 5,6-dimethyl-2-[1-(2-pyridin-2-ylacetyl)pyrrolidin-2-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 5,6-dimethyl-2-[1-(2-pyridin-2-ylacetyl)pyrrolidin-2-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one (CID 110214720) is 5,6-dimethyl-2-[1-(2-pyridin-2-ylacetyl)pyrrolidin-2-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 5,6-dimethyl-2-[1-(2-pyridin-2-ylacetyl)pyrrolidin-2-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 5,6-dimethyl-2-[1-(2-pyridin-2-ylacetyl)pyrrolidin-2-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one is Cc1nc2cc(C3CCCN3C(=O)Cc3ccccn3)[nH]n2c(=O)c1C.
What is the InChIKey of 5,6-dimethyl-2-[1-(2-pyridin-2-ylacetyl)pyrrolidin-2-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The InChIKey is MFHCTPOIAILFFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O2/c1-12-13(2)21-17-11-15(22-24(17)19(12)26)16-7-5-9-23(16)18(25)10-14-6-3-4-8-20-14/h3-4,6,8,11,16,22H,5,7,9-10H2,1-2H3.
What are the key properties of 5,6-dimethyl-2-[1-(2-pyridin-2-ylacetyl)pyrrolidin-2-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one?
5,6-dimethyl-2-[1-(2-pyridin-2-ylacetyl)pyrrolidin-2-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one has a molecular weight of 351.41 g/mol, XLogP of 1.94, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethyl-2-[1-(2-pyridin-2-ylacetyl)pyrrolidin-2-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 110214720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).