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

C18H20N4O3 — CID 98061527

IUPAC2-[(3R)-1-(furan-2-carbonyl)piperidin-3-yl]-5,6-dimethyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCc1nc2cc([C@@H]3CCCN(C(=O)c4ccco4)C3)[nH]n2c(=O)c1C
InChIInChI=1S/C18H20N4O3/c1-11-12(2)19-16-9-14(20-22(16)17(11)23)13-5-3-7-21(10-13)18(24)15-6-4-8-25-15/h4,6,8-9,13,20H,3,5,7,10H2,1-2H3/t13-/m1/s1
InChIKeyVDANKYVJCSXYLP-CYBMUJFWSA-N
MW340.38 g/mol
LogP2.25
Rot. Bonds2

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

2-[(3R)-1-(furan-2-carbonyl)piperidin-3-yl]-5,6-dimethyl-1H-pyrazolo[1,5-a]pyrimidin-7-one (PubChem CID 98061527) has the molecular formula C18H20N4O3 and a molecular weight of 340.38 g/mol. Its IUPAC name is 2-[(3R)-1-(furan-2-carbonyl)piperidin-3-yl]-5,6-dimethyl-1H-pyrazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name2-[(3R)-1-(furan-2-carbonyl)piperidin-3-yl]-5,6-dimethyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
PubChem CID98061527
Molecular FormulaC18H20N4O3
Molecular Weight340.38 g/mol
Exact Mass340.15
IUPAC Name2-[(3R)-1-(furan-2-carbonyl)piperidin-3-yl]-5,6-dimethyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCc1nc2cc([C@@H]3CCCN(C(=O)c4ccco4)C3)[nH]n2c(=O)c1C
InChIInChI=1S/C18H20N4O3/c1-11-12(2)19-16-9-14(20-22(16)17(11)23)13-5-3-7-21(10-13)18(24)15-6-4-8-25-15/h4,6,8-9,13,20H,3,5,7,10H2,1-2H3/t13-/m1/s1
InChIKeyVDANKYVJCSXYLP-CYBMUJFWSA-N
XLogP2.25
TPSA83.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

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Related Compounds

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
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-[1-[3-(3,4,5-trimethylpyrazol-1-yl)propanoyl]piperidin-3-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 110214564
2-[1-[2-(3-methoxyphenyl)acetyl]pyrrolidin-3-yl]-5,6-dimethyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 110237995
[(3R)-3-(4,5-dimethyl-1,3-thiazol-2-yl)piperidin-1-yl]-(furan-2-yl)methanone
CID 95777767
[3-(3-ethyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-(furan-2-yl)methanone
CID 56728046
furan-2-yl-[(3S)-3-phenylpiperidin-1-yl]methanone
CID 740547
[3-(5-chloro-1H-indol-2-yl)piperidin-1-yl]-(furan-2-yl)methanone
CID 113088821
5,6-dimethyl-2-[(3R)-piperidin-3-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 98078017
furan-2-yl-[(3R)-3-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]methanone
CID 95734780
6-ethyl-5-methyl-2-[1-(2-methylpropanoyl)piperidin-3-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 110214668
[3-[(3,6-dimethylpyrazin-2-yl)amino]piperidin-1-yl]-(furan-2-yl)methanone
CID 134697643

Frequently Asked Questions

What is the IUPAC name of 2-[(3R)-1-(furan-2-carbonyl)piperidin-3-yl]-5,6-dimethyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 2-[(3R)-1-(furan-2-carbonyl)piperidin-3-yl]-5,6-dimethyl-1H-pyrazolo[1,5-a]pyrimidin-7-one (CID 98061527) is 2-[(3R)-1-(furan-2-carbonyl)piperidin-3-yl]-5,6-dimethyl-1H-pyrazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 2-[(3R)-1-(furan-2-carbonyl)piperidin-3-yl]-5,6-dimethyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 2-[(3R)-1-(furan-2-carbonyl)piperidin-3-yl]-5,6-dimethyl-1H-pyrazolo[1,5-a]pyrimidin-7-one is Cc1nc2cc([C@@H]3CCCN(C(=O)c4ccco4)C3)[nH]n2c(=O)c1C.
What is the InChIKey of 2-[(3R)-1-(furan-2-carbonyl)piperidin-3-yl]-5,6-dimethyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The InChIKey is VDANKYVJCSXYLP-CYBMUJFWSA-N. The full InChI is InChI=1S/C18H20N4O3/c1-11-12(2)19-16-9-14(20-22(16)17(11)23)13-5-3-7-21(10-13)18(24)15-6-4-8-25-15/h4,6,8-9,13,20H,3,5,7,10H2,1-2H3/t13-/m1/s1.
What are the key properties of 2-[(3R)-1-(furan-2-carbonyl)piperidin-3-yl]-5,6-dimethyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
2-[(3R)-1-(furan-2-carbonyl)piperidin-3-yl]-5,6-dimethyl-1H-pyrazolo[1,5-a]pyrimidin-7-one has a molecular weight of 340.38 g/mol, XLogP of 2.25, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R)-1-(furan-2-carbonyl)piperidin-3-yl]-5,6-dimethyl-1H-pyrazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 98061527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).