3-[4-[(4S)-5,5-dimethyl-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]cyclohexyl]-2-oxo-1H-imidazo[4,5-b]pyridine-6-carbonitrile

C24H25N5O3 — CID 71681331

IUPAC3-[4-[(4S)-5,5-dimethyl-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]cyclohexyl]-2-oxo-1H-imidazo[4,5-b]pyridine-6-carbonitrile
SMILESCC1(C)OC(=O)N(C2CCC(n3c(=O)[nH]c4cc(C#N)cnc43)CC2)[C@H]1c1ccccc1
InChIInChI=1S/C24H25N5O3/c1-24(2)20(16-6-4-3-5-7-16)28(23(31)32-24)17-8-10-18(11-9-17)29-21-19(27-22(29)30)12-15(13-25)14-26-21/h3-7,12,14,17-18,20H,8-11H2,1-2H3,(H,27,30)/t17?,18?,20-/m0/s1
InChIKeyZKUPHCJCVQFXDM-QLOJAFMTSA-N
MW431.50 g/mol
LogP4.05
Rot. Bonds3

About 3-[4-[(4S)-5,5-dimethyl-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]cyclohexyl]-2-oxo-1H-imidazo[4,5-b]pyridine-6-carbonitrile

3-[4-[(4S)-5,5-dimethyl-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]cyclohexyl]-2-oxo-1H-imidazo[4,5-b]pyridine-6-carbonitrile (PubChem CID 71681331) has the molecular formula C24H25N5O3 and a molecular weight of 431.50 g/mol. Its IUPAC name is 3-[4-[(4S)-5,5-dimethyl-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]cyclohexyl]-2-oxo-1H-imidazo[4,5-b]pyridine-6-carbonitrile.

Molecular Properties

Compound Name3-[4-[(4S)-5,5-dimethyl-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]cyclohexyl]-2-oxo-1H-imidazo[4,5-b]pyridine-6-carbonitrile
PubChem CID71681331
Molecular FormulaC24H25N5O3
Molecular Weight431.50 g/mol
Exact Mass431.20
IUPAC Name3-[4-[(4S)-5,5-dimethyl-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]cyclohexyl]-2-oxo-1H-imidazo[4,5-b]pyridine-6-carbonitrile
SMILESCC1(C)OC(=O)N(C2CCC(n3c(=O)[nH]c4cc(C#N)cnc43)CC2)[C@H]1c1ccccc1
InChIInChI=1S/C24H25N5O3/c1-24(2)20(16-6-4-3-5-7-16)28(23(31)32-24)17-8-10-18(11-9-17)29-21-19(27-22(29)30)12-15(13-25)14-26-21/h3-7,12,14,17-18,20H,8-11H2,1-2H3,(H,27,30)/t17?,18?,20-/m0/s1
InChIKeyZKUPHCJCVQFXDM-QLOJAFMTSA-N
XLogP4.05
TPSA104.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.50
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-[4-[(4S)-5,5-dimethyl-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]cyclohexyl]-2-oxo-1H-imidazo[4,5-b]pyridine-6-carbonitrile with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-[4-[(4S)-5,5-dimethyl-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]cyclohexyl]-2-oxo-1H-imidazo[4,5-b]pyridine-6-carbonitrile?
The IUPAC name of 3-[4-[(4S)-5,5-dimethyl-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]cyclohexyl]-2-oxo-1H-imidazo[4,5-b]pyridine-6-carbonitrile (CID 71681331) is 3-[4-[(4S)-5,5-dimethyl-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]cyclohexyl]-2-oxo-1H-imidazo[4,5-b]pyridine-6-carbonitrile.
What is the SMILES notation for 3-[4-[(4S)-5,5-dimethyl-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]cyclohexyl]-2-oxo-1H-imidazo[4,5-b]pyridine-6-carbonitrile?
The canonical SMILES for 3-[4-[(4S)-5,5-dimethyl-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]cyclohexyl]-2-oxo-1H-imidazo[4,5-b]pyridine-6-carbonitrile is CC1(C)OC(=O)N(C2CCC(n3c(=O)[nH]c4cc(C#N)cnc43)CC2)[C@H]1c1ccccc1.
What is the InChIKey of 3-[4-[(4S)-5,5-dimethyl-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]cyclohexyl]-2-oxo-1H-imidazo[4,5-b]pyridine-6-carbonitrile?
The InChIKey is ZKUPHCJCVQFXDM-QLOJAFMTSA-N. The full InChI is InChI=1S/C24H25N5O3/c1-24(2)20(16-6-4-3-5-7-16)28(23(31)32-24)17-8-10-18(11-9-17)29-21-19(27-22(29)30)12-15(13-25)14-26-21/h3-7,12,14,17-18,20H,8-11H2,1-2H3,(H,27,30)/t17?,18?,20-/m0/s1.
What are the key properties of 3-[4-[(4S)-5,5-dimethyl-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]cyclohexyl]-2-oxo-1H-imidazo[4,5-b]pyridine-6-carbonitrile?
3-[4-[(4S)-5,5-dimethyl-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]cyclohexyl]-2-oxo-1H-imidazo[4,5-b]pyridine-6-carbonitrile has a molecular weight of 431.50 g/mol, XLogP of 4.05, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[(4S)-5,5-dimethyl-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]cyclohexyl]-2-oxo-1H-imidazo[4,5-b]pyridine-6-carbonitrile is sourced from PubChem (CID 71681331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).