ethyl 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

C23H31N5O5S — CID 3862614

IUPACethyl 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
SMILESCCOC(=O)C1COC(=O)N1C1CCN(C(=O)c2cnc3c(c(C)nn3C)c2SC(C)C)CC1
InChIInChI=1S/C23H31N5O5S/c1-6-32-22(30)17-12-33-23(31)28(17)15-7-9-27(10-8-15)21(29)16-11-24-20-18(14(4)25-26(20)5)19(16)34-13(2)3/h11,13,15,17H,6-10,12H2,1-5H3
InChIKeyZUTCRDKICRCWCT-UHFFFAOYSA-N
MW489.60 g/mol
LogP2.77
Rot. Bonds6

About ethyl 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

ethyl 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 3862614) has the molecular formula C23H31N5O5S and a molecular weight of 489.60 g/mol. Its IUPAC name is ethyl 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 Nameethyl 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 CID3862614
Molecular FormulaC23H31N5O5S
Molecular Weight489.60 g/mol
Exact Mass489.20
IUPAC Nameethyl 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
SMILESCCOC(=O)C1COC(=O)N1C1CCN(C(=O)c2cnc3c(c(C)nn3C)c2SC(C)C)CC1
InChIInChI=1S/C23H31N5O5S/c1-6-32-22(30)17-12-33-23(31)28(17)15-7-9-27(10-8-15)21(29)16-11-24-20-18(14(4)25-26(20)5)19(16)34-13(2)3/h11,13,15,17H,6-10,12H2,1-5H3
InChIKeyZUTCRDKICRCWCT-UHFFFAOYSA-N
XLogP2.77
TPSA106.86 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.60
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze ethyl 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 ethyl 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 ethyl 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 3862614) is ethyl 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 ethyl 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 ethyl 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 CCOC(=O)C1COC(=O)N1C1CCN(C(=O)c2cnc3c(c(C)nn3C)c2SC(C)C)CC1.
What is the InChIKey of ethyl 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 ZUTCRDKICRCWCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N5O5S/c1-6-32-22(30)17-12-33-23(31)28(17)15-7-9-27(10-8-15)21(29)16-11-24-20-18(14(4)25-26(20)5)19(16)34-13(2)3/h11,13,15,17H,6-10,12H2,1-5H3.
What are the key properties of ethyl 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?
ethyl 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 489.60 g/mol, XLogP of 2.77, 6 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 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 3862614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).