3-[1-(2,7-dimethylpyrazolo[1,5-a]pyrimidine-6-carbonyl)piperidin-4-yl]-5,5-dimethyl-1,3-oxazinan-2-one

C20H27N5O3 — CID 23737226

IUPAC3-[1-(2,7-dimethylpyrazolo[1,5-a]pyrimidine-6-carbonyl)piperidin-4-yl]-5,5-dimethyl-1,3-oxazinan-2-one
SMILESCc1cc2ncc(C(=O)N3CCC(N4CC(C)(C)COC4=O)CC3)c(C)n2n1
InChIInChI=1S/C20H27N5O3/c1-13-9-17-21-10-16(14(2)25(17)22-13)18(26)23-7-5-15(6-8-23)24-11-20(3,4)12-28-19(24)27/h9-10,15H,5-8,11-12H2,1-4H3
InChIKeyTXDOHGLHUWJVRR-UHFFFAOYSA-N
MW385.47 g/mol
LogP2.43
Rot. Bonds2

About 3-[1-(2,7-dimethylpyrazolo[1,5-a]pyrimidine-6-carbonyl)piperidin-4-yl]-5,5-dimethyl-1,3-oxazinan-2-one

3-[1-(2,7-dimethylpyrazolo[1,5-a]pyrimidine-6-carbonyl)piperidin-4-yl]-5,5-dimethyl-1,3-oxazinan-2-one (PubChem CID 23737226) has the molecular formula C20H27N5O3 and a molecular weight of 385.47 g/mol. Its IUPAC name is 3-[1-(2,7-dimethylpyrazolo[1,5-a]pyrimidine-6-carbonyl)piperidin-4-yl]-5,5-dimethyl-1,3-oxazinan-2-one.

Molecular Properties

Compound Name3-[1-(2,7-dimethylpyrazolo[1,5-a]pyrimidine-6-carbonyl)piperidin-4-yl]-5,5-dimethyl-1,3-oxazinan-2-one
PubChem CID23737226
Molecular FormulaC20H27N5O3
Molecular Weight385.47 g/mol
Exact Mass385.21
IUPAC Name3-[1-(2,7-dimethylpyrazolo[1,5-a]pyrimidine-6-carbonyl)piperidin-4-yl]-5,5-dimethyl-1,3-oxazinan-2-one
SMILESCc1cc2ncc(C(=O)N3CCC(N4CC(C)(C)COC4=O)CC3)c(C)n2n1
InChIInChI=1S/C20H27N5O3/c1-13-9-17-21-10-16(14(2)25(17)22-13)18(26)23-7-5-15(6-8-23)24-11-20(3,4)12-28-19(24)27/h9-10,15H,5-8,11-12H2,1-4H3
InChIKeyTXDOHGLHUWJVRR-UHFFFAOYSA-N
XLogP2.43
TPSA80.04 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.47
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[1-(2,7-dimethylpyrazolo[1,5-a]pyrimidine-6-carbonyl)piperidin-4-yl]-5,5-dimethyl-1,3-oxazinan-2-one?
The IUPAC name of 3-[1-(2,7-dimethylpyrazolo[1,5-a]pyrimidine-6-carbonyl)piperidin-4-yl]-5,5-dimethyl-1,3-oxazinan-2-one (CID 23737226) is 3-[1-(2,7-dimethylpyrazolo[1,5-a]pyrimidine-6-carbonyl)piperidin-4-yl]-5,5-dimethyl-1,3-oxazinan-2-one.
What is the SMILES notation for 3-[1-(2,7-dimethylpyrazolo[1,5-a]pyrimidine-6-carbonyl)piperidin-4-yl]-5,5-dimethyl-1,3-oxazinan-2-one?
The canonical SMILES for 3-[1-(2,7-dimethylpyrazolo[1,5-a]pyrimidine-6-carbonyl)piperidin-4-yl]-5,5-dimethyl-1,3-oxazinan-2-one is Cc1cc2ncc(C(=O)N3CCC(N4CC(C)(C)COC4=O)CC3)c(C)n2n1.
What is the InChIKey of 3-[1-(2,7-dimethylpyrazolo[1,5-a]pyrimidine-6-carbonyl)piperidin-4-yl]-5,5-dimethyl-1,3-oxazinan-2-one?
The InChIKey is TXDOHGLHUWJVRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N5O3/c1-13-9-17-21-10-16(14(2)25(17)22-13)18(26)23-7-5-15(6-8-23)24-11-20(3,4)12-28-19(24)27/h9-10,15H,5-8,11-12H2,1-4H3.
What are the key properties of 3-[1-(2,7-dimethylpyrazolo[1,5-a]pyrimidine-6-carbonyl)piperidin-4-yl]-5,5-dimethyl-1,3-oxazinan-2-one?
3-[1-(2,7-dimethylpyrazolo[1,5-a]pyrimidine-6-carbonyl)piperidin-4-yl]-5,5-dimethyl-1,3-oxazinan-2-one has a molecular weight of 385.47 g/mol, XLogP of 2.43, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(2,7-dimethylpyrazolo[1,5-a]pyrimidine-6-carbonyl)piperidin-4-yl]-5,5-dimethyl-1,3-oxazinan-2-one is sourced from PubChem (CID 23737226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).