3-[1-(1,3-dimethyl-4-propan-2-ylsulfanylpyrazolo[3,4-b]pyridine-5-carbonyl)piperidin-4-yl]-4-(2-methylpropyl)-1,3-oxazolidin-2-one

C24H35N5O3S — CID 3312258

IUPAC3-[1-(1,3-dimethyl-4-propan-2-ylsulfanylpyrazolo[3,4-b]pyridine-5-carbonyl)piperidin-4-yl]-4-(2-methylpropyl)-1,3-oxazolidin-2-one
SMILESCc1nn(C)c2ncc(C(=O)N3CCC(N4C(=O)OCC4CC(C)C)CC3)c(SC(C)C)c12
InChIInChI=1S/C24H35N5O3S/c1-14(2)11-18-13-32-24(31)29(18)17-7-9-28(10-8-17)23(30)19-12-25-22-20(16(5)26-27(22)6)21(19)33-15(3)4/h12,14-15,17-18H,7-11,13H2,1-6H3
InChIKeyZYUJHFWUYOMYBU-UHFFFAOYSA-N
MW473.64 g/mol
LogP4.25
Rot. Bonds6

About 3-[1-(1,3-dimethyl-4-propan-2-ylsulfanylpyrazolo[3,4-b]pyridine-5-carbonyl)piperidin-4-yl]-4-(2-methylpropyl)-1,3-oxazolidin-2-one

3-[1-(1,3-dimethyl-4-propan-2-ylsulfanylpyrazolo[3,4-b]pyridine-5-carbonyl)piperidin-4-yl]-4-(2-methylpropyl)-1,3-oxazolidin-2-one (PubChem CID 3312258) has the molecular formula C24H35N5O3S and a molecular weight of 473.64 g/mol. Its IUPAC name is 3-[1-(1,3-dimethyl-4-propan-2-ylsulfanylpyrazolo[3,4-b]pyridine-5-carbonyl)piperidin-4-yl]-4-(2-methylpropyl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[1-(1,3-dimethyl-4-propan-2-ylsulfanylpyrazolo[3,4-b]pyridine-5-carbonyl)piperidin-4-yl]-4-(2-methylpropyl)-1,3-oxazolidin-2-one
PubChem CID3312258
Molecular FormulaC24H35N5O3S
Molecular Weight473.64 g/mol
Exact Mass473.25
IUPAC Name3-[1-(1,3-dimethyl-4-propan-2-ylsulfanylpyrazolo[3,4-b]pyridine-5-carbonyl)piperidin-4-yl]-4-(2-methylpropyl)-1,3-oxazolidin-2-one
SMILESCc1nn(C)c2ncc(C(=O)N3CCC(N4C(=O)OCC4CC(C)C)CC3)c(SC(C)C)c12
InChIInChI=1S/C24H35N5O3S/c1-14(2)11-18-13-32-24(31)29(18)17-7-9-28(10-8-17)23(30)19-12-25-22-20(16(5)26-27(22)6)21(19)33-15(3)4/h12,14-15,17-18H,7-11,13H2,1-6H3
InChIKeyZYUJHFWUYOMYBU-UHFFFAOYSA-N
XLogP4.25
TPSA80.56 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.64
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 3-[1-(1,3-dimethyl-4-propan-2-ylsulfanylpyrazolo[3,4-b]pyridine-5-carbonyl)piperidin-4-yl]-4-(2-methylpropyl)-1,3-oxazolidin-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-[1-(1,3-dimethyl-4-propan-2-ylsulfanylpyrazolo[3,4-b]pyridine-5-carbonyl)piperidin-4-yl]-4-(2-methylpropyl)-1,3-oxazolidin-2-one?
The IUPAC name of 3-[1-(1,3-dimethyl-4-propan-2-ylsulfanylpyrazolo[3,4-b]pyridine-5-carbonyl)piperidin-4-yl]-4-(2-methylpropyl)-1,3-oxazolidin-2-one (CID 3312258) is 3-[1-(1,3-dimethyl-4-propan-2-ylsulfanylpyrazolo[3,4-b]pyridine-5-carbonyl)piperidin-4-yl]-4-(2-methylpropyl)-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[1-(1,3-dimethyl-4-propan-2-ylsulfanylpyrazolo[3,4-b]pyridine-5-carbonyl)piperidin-4-yl]-4-(2-methylpropyl)-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[1-(1,3-dimethyl-4-propan-2-ylsulfanylpyrazolo[3,4-b]pyridine-5-carbonyl)piperidin-4-yl]-4-(2-methylpropyl)-1,3-oxazolidin-2-one is Cc1nn(C)c2ncc(C(=O)N3CCC(N4C(=O)OCC4CC(C)C)CC3)c(SC(C)C)c12.
What is the InChIKey of 3-[1-(1,3-dimethyl-4-propan-2-ylsulfanylpyrazolo[3,4-b]pyridine-5-carbonyl)piperidin-4-yl]-4-(2-methylpropyl)-1,3-oxazolidin-2-one?
The InChIKey is ZYUJHFWUYOMYBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H35N5O3S/c1-14(2)11-18-13-32-24(31)29(18)17-7-9-28(10-8-17)23(30)19-12-25-22-20(16(5)26-27(22)6)21(19)33-15(3)4/h12,14-15,17-18H,7-11,13H2,1-6H3.
What are the key properties of 3-[1-(1,3-dimethyl-4-propan-2-ylsulfanylpyrazolo[3,4-b]pyridine-5-carbonyl)piperidin-4-yl]-4-(2-methylpropyl)-1,3-oxazolidin-2-one?
3-[1-(1,3-dimethyl-4-propan-2-ylsulfanylpyrazolo[3,4-b]pyridine-5-carbonyl)piperidin-4-yl]-4-(2-methylpropyl)-1,3-oxazolidin-2-one has a molecular weight of 473.64 g/mol, XLogP of 4.25, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(1,3-dimethyl-4-propan-2-ylsulfanylpyrazolo[3,4-b]pyridine-5-carbonyl)piperidin-4-yl]-4-(2-methylpropyl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 3312258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).