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

C18H21N5O3 — CID 110214558

IUPAC5,6-dimethyl-2-[1-(3-methyl-1,2-oxazole-5-carbonyl)piperidin-3-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCc1cc(C(=O)N2CCCC(c3cc4nc(C)c(C)c(=O)n4[nH]3)C2)on1
InChIInChI=1S/C18H21N5O3/c1-10-7-15(26-21-10)18(25)22-6-4-5-13(9-22)14-8-16-19-12(3)11(2)17(24)23(16)20-14/h7-8,13,20H,4-6,9H2,1-3H3
InChIKeyYAPLTEHAHNQGMN-UHFFFAOYSA-N
MW355.40 g/mol
LogP1.96
Rot. Bonds2

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

5,6-dimethyl-2-[1-(3-methyl-1,2-oxazole-5-carbonyl)piperidin-3-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one (PubChem CID 110214558) has the molecular formula C18H21N5O3 and a molecular weight of 355.40 g/mol. Its IUPAC name is 5,6-dimethyl-2-[1-(3-methyl-1,2-oxazole-5-carbonyl)piperidin-3-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name5,6-dimethyl-2-[1-(3-methyl-1,2-oxazole-5-carbonyl)piperidin-3-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one
PubChem CID110214558
Molecular FormulaC18H21N5O3
Molecular Weight355.40 g/mol
Exact Mass355.16
IUPAC Name5,6-dimethyl-2-[1-(3-methyl-1,2-oxazole-5-carbonyl)piperidin-3-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCc1cc(C(=O)N2CCCC(c3cc4nc(C)c(C)c(=O)n4[nH]3)C2)on1
InChIInChI=1S/C18H21N5O3/c1-10-7-15(26-21-10)18(25)22-6-4-5-13(9-22)14-8-16-19-12(3)11(2)17(24)23(16)20-14/h7-8,13,20H,4-6,9H2,1-3H3
InChIKeyYAPLTEHAHNQGMN-UHFFFAOYSA-N
XLogP1.96
TPSA96.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.40
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[(3R)-1-(furan-2-carbonyl)piperidin-3-yl]-5,6-dimethyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 98061527
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
(3-chloropiperidin-1-yl)-(3-methyl-1,2-oxazol-5-yl)methanone
CID 63392780
5,6-dimethyl-2-[(3S)-1-[3-(1,2,4-triazol-1-yl)propanoyl]piperidin-3-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 98061547
6-ethyl-5-methyl-2-[1-(2-methylpropanoyl)piperidin-3-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 110214668
2-[1-[2-(dimethylamino)pyrimidine-5-carbonyl]piperidin-3-yl]-6-ethyl-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 110214681
5,6-dimethyl-2-[(3R)-piperidin-3-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 98078017
[(3R)-3-(4-ethyl-1,3-thiazol-2-yl)piperidin-1-yl]-(3-methyl-1,2-oxazol-5-yl)methanone
CID 95768006
2-[1-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoyl]piperidin-3-yl]-5,6,7,8-tetrahydro-1H-pyrazolo[5,1-b]quinazolin-9-one
CID 110214697
2-[1-[2-(3-methoxyphenyl)acetyl]pyrrolidin-3-yl]-5,6-dimethyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 110237995
2-[1-(furan-2-carbonyl)pyrrolidin-2-yl]-5,6-dimethyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 110214716
1,2,3,3a,4,6,7,7a-octahydropyrrolo[3,4-c]pyridin-5-yl-(3-methyl-1,2-oxazol-5-yl)methanone
CID 68602065

Frequently Asked Questions

What is the IUPAC name of 5,6-dimethyl-2-[1-(3-methyl-1,2-oxazole-5-carbonyl)piperidin-3-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 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) is 5,6-dimethyl-2-[1-(3-methyl-1,2-oxazole-5-carbonyl)piperidin-3-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 5,6-dimethyl-2-[1-(3-methyl-1,2-oxazole-5-carbonyl)piperidin-3-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 5,6-dimethyl-2-[1-(3-methyl-1,2-oxazole-5-carbonyl)piperidin-3-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one is Cc1cc(C(=O)N2CCCC(c3cc4nc(C)c(C)c(=O)n4[nH]3)C2)on1.
What is the InChIKey of 5,6-dimethyl-2-[1-(3-methyl-1,2-oxazole-5-carbonyl)piperidin-3-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The InChIKey is YAPLTEHAHNQGMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5O3/c1-10-7-15(26-21-10)18(25)22-6-4-5-13(9-22)14-8-16-19-12(3)11(2)17(24)23(16)20-14/h7-8,13,20H,4-6,9H2,1-3H3.
What are the key properties of 5,6-dimethyl-2-[1-(3-methyl-1,2-oxazole-5-carbonyl)piperidin-3-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one?
5,6-dimethyl-2-[1-(3-methyl-1,2-oxazole-5-carbonyl)piperidin-3-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one has a molecular weight of 355.40 g/mol, XLogP of 1.96, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethyl-2-[1-(3-methyl-1,2-oxazole-5-carbonyl)piperidin-3-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 110214558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).