5,6-dimethyl-2-[(3R)-piperidin-3-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one

C13H18N4O — CID 98078017

IUPAC5,6-dimethyl-2-[(3R)-piperidin-3-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCc1nc2cc([C@@H]3CCCNC3)[nH]n2c(=O)c1C
InChIInChI=1S/C13H18N4O/c1-8-9(2)15-12-6-11(16-17(12)13(8)18)10-4-3-5-14-7-10/h6,10,14,16H,3-5,7H2,1-2H3/t10-/m1/s1
InChIKeyUKCUFKXLANAKMU-SNVBAGLBSA-N
MW246.31 g/mol
LogP1.11
Rot. Bonds1

About 5,6-dimethyl-2-[(3R)-piperidin-3-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one

5,6-dimethyl-2-[(3R)-piperidin-3-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one (PubChem CID 98078017) has the molecular formula C13H18N4O and a molecular weight of 246.31 g/mol. Its IUPAC name is 5,6-dimethyl-2-[(3R)-piperidin-3-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name5,6-dimethyl-2-[(3R)-piperidin-3-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one
PubChem CID98078017
Molecular FormulaC13H18N4O
Molecular Weight246.31 g/mol
Exact Mass246.15
IUPAC Name5,6-dimethyl-2-[(3R)-piperidin-3-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCc1nc2cc([C@@H]3CCCNC3)[nH]n2c(=O)c1C
InChIInChI=1S/C13H18N4O/c1-8-9(2)15-12-6-11(16-17(12)13(8)18)10-4-3-5-14-7-10/h6,10,14,16H,3-5,7H2,1-2H3/t10-/m1/s1
InChIKeyUKCUFKXLANAKMU-SNVBAGLBSA-N
XLogP1.11
TPSA62.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Launch Full Analysis

Related Compounds

2-cyclopropyl-5-piperidin-3-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 115054445
5,6-dimethyl-2-[(2S)-piperidin-2-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one;hydrochloride
CID 66624816
2-cyclobutyl-5,6-dimethyl-1H-pyrazolo[1,5-a]pyrimidine-7-thione
CID 82270169
5,6-dimethyl-2-[1-(3-methyl-1,2-oxazole-5-carbonyl)piperidin-3-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 110214558
5,6-dimethyl-2-[1-[3-(3,4,5-trimethylpyrazol-1-yl)propanoyl]piperidin-3-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 110214564
2-[(3R)-1-(furan-2-carbonyl)piperidin-3-yl]-5,6-dimethyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 98061527
2-methyl-5-piperidin-3-yl-1H-pyrazol-3-one;dihydrochloride
CID 71298839
2-[1-[2-(3-methoxyphenyl)acetyl]pyrrolidin-3-yl]-5,6-dimethyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 110237995
4,6-dimethyl-2-piperidin-3-ylpyrimidine
CID 63317441
2-cyclohexyl-5-pyrrolidin-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 82271147
2-(1-benzoylpiperidin-2-yl)-5,6-dimethyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 123507904
4,6-dimethyl-2-piperidin-3-ylpyrimidine;dihydrochloride
CID 71299007

Frequently Asked Questions

What is the IUPAC name of 5,6-dimethyl-2-[(3R)-piperidin-3-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 5,6-dimethyl-2-[(3R)-piperidin-3-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one (CID 98078017) is 5,6-dimethyl-2-[(3R)-piperidin-3-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 5,6-dimethyl-2-[(3R)-piperidin-3-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 5,6-dimethyl-2-[(3R)-piperidin-3-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one is Cc1nc2cc([C@@H]3CCCNC3)[nH]n2c(=O)c1C.
What is the InChIKey of 5,6-dimethyl-2-[(3R)-piperidin-3-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The InChIKey is UKCUFKXLANAKMU-SNVBAGLBSA-N. The full InChI is InChI=1S/C13H18N4O/c1-8-9(2)15-12-6-11(16-17(12)13(8)18)10-4-3-5-14-7-10/h6,10,14,16H,3-5,7H2,1-2H3/t10-/m1/s1.
What are the key properties of 5,6-dimethyl-2-[(3R)-piperidin-3-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one?
5,6-dimethyl-2-[(3R)-piperidin-3-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one has a molecular weight of 246.31 g/mol, XLogP of 1.11, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethyl-2-[(3R)-piperidin-3-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 98078017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).