methyl (4R)-3-[1-(2,7-dimethylpyrazolo[1,5-a]pyrimidine-6-carbonyl)piperidin-4-yl]-2-oxo-1,3-oxazolidine-4-carboxylate

C19H23N5O5 — CID 23732408

IUPACmethyl (4R)-3-[1-(2,7-dimethylpyrazolo[1,5-a]pyrimidine-6-carbonyl)piperidin-4-yl]-2-oxo-1,3-oxazolidine-4-carboxylate
SMILESCOC(=O)[C@H]1COC(=O)N1C1CCN(C(=O)c2cnc3cc(C)nn3c2C)CC1
InChIInChI=1S/C19H23N5O5/c1-11-8-16-20-9-14(12(2)24(16)21-11)17(25)22-6-4-13(5-7-22)23-15(18(26)28-3)10-29-19(23)27/h8-9,13,15H,4-7,10H2,1-3H3/t15-/m1/s1
InChIKeyYRESBYMQNVZLTH-OAHLLOKOSA-N
MW401.42 g/mol
LogP0.94
Rot. Bonds3

About methyl (4R)-3-[1-(2,7-dimethylpyrazolo[1,5-a]pyrimidine-6-carbonyl)piperidin-4-yl]-2-oxo-1,3-oxazolidine-4-carboxylate

methyl (4R)-3-[1-(2,7-dimethylpyrazolo[1,5-a]pyrimidine-6-carbonyl)piperidin-4-yl]-2-oxo-1,3-oxazolidine-4-carboxylate (PubChem CID 23732408) has the molecular formula C19H23N5O5 and a molecular weight of 401.42 g/mol. Its IUPAC name is methyl (4R)-3-[1-(2,7-dimethylpyrazolo[1,5-a]pyrimidine-6-carbonyl)piperidin-4-yl]-2-oxo-1,3-oxazolidine-4-carboxylate.

Molecular Properties

Compound Namemethyl (4R)-3-[1-(2,7-dimethylpyrazolo[1,5-a]pyrimidine-6-carbonyl)piperidin-4-yl]-2-oxo-1,3-oxazolidine-4-carboxylate
PubChem CID23732408
Molecular FormulaC19H23N5O5
Molecular Weight401.42 g/mol
Exact Mass401.17
IUPAC Namemethyl (4R)-3-[1-(2,7-dimethylpyrazolo[1,5-a]pyrimidine-6-carbonyl)piperidin-4-yl]-2-oxo-1,3-oxazolidine-4-carboxylate
SMILESCOC(=O)[C@H]1COC(=O)N1C1CCN(C(=O)c2cnc3cc(C)nn3c2C)CC1
InChIInChI=1S/C19H23N5O5/c1-11-8-16-20-9-14(12(2)24(16)21-11)17(25)22-6-4-13(5-7-22)23-15(18(26)28-3)10-29-19(23)27/h8-9,13,15H,4-7,10H2,1-3H3/t15-/m1/s1
InChIKeyYRESBYMQNVZLTH-OAHLLOKOSA-N
XLogP0.94
TPSA106.34 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.42
LogP ≤ 50.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of methyl (4R)-3-[1-(2,7-dimethylpyrazolo[1,5-a]pyrimidine-6-carbonyl)piperidin-4-yl]-2-oxo-1,3-oxazolidine-4-carboxylate?
The IUPAC name of methyl (4R)-3-[1-(2,7-dimethylpyrazolo[1,5-a]pyrimidine-6-carbonyl)piperidin-4-yl]-2-oxo-1,3-oxazolidine-4-carboxylate (CID 23732408) is methyl (4R)-3-[1-(2,7-dimethylpyrazolo[1,5-a]pyrimidine-6-carbonyl)piperidin-4-yl]-2-oxo-1,3-oxazolidine-4-carboxylate.
What is the SMILES notation for methyl (4R)-3-[1-(2,7-dimethylpyrazolo[1,5-a]pyrimidine-6-carbonyl)piperidin-4-yl]-2-oxo-1,3-oxazolidine-4-carboxylate?
The canonical SMILES for methyl (4R)-3-[1-(2,7-dimethylpyrazolo[1,5-a]pyrimidine-6-carbonyl)piperidin-4-yl]-2-oxo-1,3-oxazolidine-4-carboxylate is COC(=O)[C@H]1COC(=O)N1C1CCN(C(=O)c2cnc3cc(C)nn3c2C)CC1.
What is the InChIKey of methyl (4R)-3-[1-(2,7-dimethylpyrazolo[1,5-a]pyrimidine-6-carbonyl)piperidin-4-yl]-2-oxo-1,3-oxazolidine-4-carboxylate?
The InChIKey is YRESBYMQNVZLTH-OAHLLOKOSA-N. The full InChI is InChI=1S/C19H23N5O5/c1-11-8-16-20-9-14(12(2)24(16)21-11)17(25)22-6-4-13(5-7-22)23-15(18(26)28-3)10-29-19(23)27/h8-9,13,15H,4-7,10H2,1-3H3/t15-/m1/s1.
What are the key properties of methyl (4R)-3-[1-(2,7-dimethylpyrazolo[1,5-a]pyrimidine-6-carbonyl)piperidin-4-yl]-2-oxo-1,3-oxazolidine-4-carboxylate?
methyl (4R)-3-[1-(2,7-dimethylpyrazolo[1,5-a]pyrimidine-6-carbonyl)piperidin-4-yl]-2-oxo-1,3-oxazolidine-4-carboxylate has a molecular weight of 401.42 g/mol, XLogP of 0.94, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (4R)-3-[1-(2,7-dimethylpyrazolo[1,5-a]pyrimidine-6-carbonyl)piperidin-4-yl]-2-oxo-1,3-oxazolidine-4-carboxylate is sourced from PubChem (CID 23732408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).