methyl 3-[1-(1,3-dimethyl-4-propan-2-ylsulfanylpyrazolo[3,4-b]pyridine-5-carbonyl)piperidin-4-yl]-2-oxo-1,3-oxazolidine-4-carboxylate

C22H29N5O5S — CID 3725722

IUPACmethyl 3-[1-(1,3-dimethyl-4-propan-2-ylsulfanylpyrazolo[3,4-b]pyridine-5-carbonyl)piperidin-4-yl]-2-oxo-1,3-oxazolidine-4-carboxylate
SMILESCOC(=O)C1COC(=O)N1C1CCN(C(=O)c2cnc3c(c(C)nn3C)c2SC(C)C)CC1
InChIInChI=1S/C22H29N5O5S/c1-12(2)33-18-15(10-23-19-17(18)13(3)24-25(19)4)20(28)26-8-6-14(7-9-26)27-16(21(29)31-5)11-32-22(27)30/h10,12,14,16H,6-9,11H2,1-5H3
InChIKeyAHCHJJKULZKBLP-UHFFFAOYSA-N
MW475.57 g/mol
LogP2.38
Rot. Bonds5

About methyl 3-[1-(1,3-dimethyl-4-propan-2-ylsulfanylpyrazolo[3,4-b]pyridine-5-carbonyl)piperidin-4-yl]-2-oxo-1,3-oxazolidine-4-carboxylate

methyl 3-[1-(1,3-dimethyl-4-propan-2-ylsulfanylpyrazolo[3,4-b]pyridine-5-carbonyl)piperidin-4-yl]-2-oxo-1,3-oxazolidine-4-carboxylate (PubChem CID 3725722) has the molecular formula C22H29N5O5S and a molecular weight of 475.57 g/mol. Its IUPAC name is methyl 3-[1-(1,3-dimethyl-4-propan-2-ylsulfanylpyrazolo[3,4-b]pyridine-5-carbonyl)piperidin-4-yl]-2-oxo-1,3-oxazolidine-4-carboxylate.

Molecular Properties

Compound Namemethyl 3-[1-(1,3-dimethyl-4-propan-2-ylsulfanylpyrazolo[3,4-b]pyridine-5-carbonyl)piperidin-4-yl]-2-oxo-1,3-oxazolidine-4-carboxylate
PubChem CID3725722
Molecular FormulaC22H29N5O5S
Molecular Weight475.57 g/mol
Exact Mass475.19
IUPAC Namemethyl 3-[1-(1,3-dimethyl-4-propan-2-ylsulfanylpyrazolo[3,4-b]pyridine-5-carbonyl)piperidin-4-yl]-2-oxo-1,3-oxazolidine-4-carboxylate
SMILESCOC(=O)C1COC(=O)N1C1CCN(C(=O)c2cnc3c(c(C)nn3C)c2SC(C)C)CC1
InChIInChI=1S/C22H29N5O5S/c1-12(2)33-18-15(10-23-19-17(18)13(3)24-25(19)4)20(28)26-8-6-14(7-9-26)27-16(21(29)31-5)11-32-22(27)30/h10,12,14,16H,6-9,11H2,1-5H3
InChIKeyAHCHJJKULZKBLP-UHFFFAOYSA-N
XLogP2.38
TPSA106.86 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.57
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze methyl 3-[1-(1,3-dimethyl-4-propan-2-ylsulfanylpyrazolo[3,4-b]pyridine-5-carbonyl)piperidin-4-yl]-2-oxo-1,3-oxazolidine-4-carboxylate with MolForge

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Frequently Asked Questions

What is the IUPAC name of methyl 3-[1-(1,3-dimethyl-4-propan-2-ylsulfanylpyrazolo[3,4-b]pyridine-5-carbonyl)piperidin-4-yl]-2-oxo-1,3-oxazolidine-4-carboxylate?
The IUPAC name of methyl 3-[1-(1,3-dimethyl-4-propan-2-ylsulfanylpyrazolo[3,4-b]pyridine-5-carbonyl)piperidin-4-yl]-2-oxo-1,3-oxazolidine-4-carboxylate (CID 3725722) is methyl 3-[1-(1,3-dimethyl-4-propan-2-ylsulfanylpyrazolo[3,4-b]pyridine-5-carbonyl)piperidin-4-yl]-2-oxo-1,3-oxazolidine-4-carboxylate.
What is the SMILES notation for methyl 3-[1-(1,3-dimethyl-4-propan-2-ylsulfanylpyrazolo[3,4-b]pyridine-5-carbonyl)piperidin-4-yl]-2-oxo-1,3-oxazolidine-4-carboxylate?
The canonical SMILES for methyl 3-[1-(1,3-dimethyl-4-propan-2-ylsulfanylpyrazolo[3,4-b]pyridine-5-carbonyl)piperidin-4-yl]-2-oxo-1,3-oxazolidine-4-carboxylate is COC(=O)C1COC(=O)N1C1CCN(C(=O)c2cnc3c(c(C)nn3C)c2SC(C)C)CC1.
What is the InChIKey of methyl 3-[1-(1,3-dimethyl-4-propan-2-ylsulfanylpyrazolo[3,4-b]pyridine-5-carbonyl)piperidin-4-yl]-2-oxo-1,3-oxazolidine-4-carboxylate?
The InChIKey is AHCHJJKULZKBLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N5O5S/c1-12(2)33-18-15(10-23-19-17(18)13(3)24-25(19)4)20(28)26-8-6-14(7-9-26)27-16(21(29)31-5)11-32-22(27)30/h10,12,14,16H,6-9,11H2,1-5H3.
What are the key properties of methyl 3-[1-(1,3-dimethyl-4-propan-2-ylsulfanylpyrazolo[3,4-b]pyridine-5-carbonyl)piperidin-4-yl]-2-oxo-1,3-oxazolidine-4-carboxylate?
methyl 3-[1-(1,3-dimethyl-4-propan-2-ylsulfanylpyrazolo[3,4-b]pyridine-5-carbonyl)piperidin-4-yl]-2-oxo-1,3-oxazolidine-4-carboxylate has a molecular weight of 475.57 g/mol, XLogP of 2.38, 5 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[1-(1,3-dimethyl-4-propan-2-ylsulfanylpyrazolo[3,4-b]pyridine-5-carbonyl)piperidin-4-yl]-2-oxo-1,3-oxazolidine-4-carboxylate is sourced from PubChem (CID 3725722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).