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

C23H25BrN4O3 — CID 71681328

IUPAC(4S)-3-[4-(6-bromo-2-oxo-1H-imidazo[4,5-b]pyridin-3-yl)cyclohexyl]-5,5-dimethyl-4-phenyl-1,3-oxazolidin-2-one
SMILESCC1(C)OC(=O)N(C2CCC(n3c(=O)[nH]c4cc(Br)cnc43)CC2)[C@H]1c1ccccc1
InChIInChI=1S/C23H25BrN4O3/c1-23(2)19(14-6-4-3-5-7-14)27(22(30)31-23)16-8-10-17(11-9-16)28-20-18(26-21(28)29)12-15(24)13-25-20/h3-7,12-13,16-17,19H,8-11H2,1-2H3,(H,26,29)/t16?,17?,19-/m0/s1
InChIKeyWNAVJGWDJHECMY-TVPLGVNVSA-N
MW485.38 g/mol
LogP4.94
Rot. Bonds3

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

(4S)-3-[4-(6-bromo-2-oxo-1H-imidazo[4,5-b]pyridin-3-yl)cyclohexyl]-5,5-dimethyl-4-phenyl-1,3-oxazolidin-2-one (PubChem CID 71681328) has the molecular formula C23H25BrN4O3 and a molecular weight of 485.38 g/mol. Its IUPAC name is (4S)-3-[4-(6-bromo-2-oxo-1H-imidazo[4,5-b]pyridin-3-yl)cyclohexyl]-5,5-dimethyl-4-phenyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4S)-3-[4-(6-bromo-2-oxo-1H-imidazo[4,5-b]pyridin-3-yl)cyclohexyl]-5,5-dimethyl-4-phenyl-1,3-oxazolidin-2-one
PubChem CID71681328
Molecular FormulaC23H25BrN4O3
Molecular Weight485.38 g/mol
Exact Mass484.11
IUPAC Name(4S)-3-[4-(6-bromo-2-oxo-1H-imidazo[4,5-b]pyridin-3-yl)cyclohexyl]-5,5-dimethyl-4-phenyl-1,3-oxazolidin-2-one
SMILESCC1(C)OC(=O)N(C2CCC(n3c(=O)[nH]c4cc(Br)cnc43)CC2)[C@H]1c1ccccc1
InChIInChI=1S/C23H25BrN4O3/c1-23(2)19(14-6-4-3-5-7-14)27(22(30)31-23)16-8-10-17(11-9-16)28-20-18(26-21(28)29)12-15(24)13-25-20/h3-7,12-13,16-17,19H,8-11H2,1-2H3,(H,26,29)/t16?,17?,19-/m0/s1
InChIKeyWNAVJGWDJHECMY-TVPLGVNVSA-N
XLogP4.94
TPSA80.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.38
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

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Frequently Asked Questions

What is the IUPAC name of (4S)-3-[4-(6-bromo-2-oxo-1H-imidazo[4,5-b]pyridin-3-yl)cyclohexyl]-5,5-dimethyl-4-phenyl-1,3-oxazolidin-2-one?
The IUPAC name of (4S)-3-[4-(6-bromo-2-oxo-1H-imidazo[4,5-b]pyridin-3-yl)cyclohexyl]-5,5-dimethyl-4-phenyl-1,3-oxazolidin-2-one (CID 71681328) is (4S)-3-[4-(6-bromo-2-oxo-1H-imidazo[4,5-b]pyridin-3-yl)cyclohexyl]-5,5-dimethyl-4-phenyl-1,3-oxazolidin-2-one.
What is the SMILES notation for (4S)-3-[4-(6-bromo-2-oxo-1H-imidazo[4,5-b]pyridin-3-yl)cyclohexyl]-5,5-dimethyl-4-phenyl-1,3-oxazolidin-2-one?
The canonical SMILES for (4S)-3-[4-(6-bromo-2-oxo-1H-imidazo[4,5-b]pyridin-3-yl)cyclohexyl]-5,5-dimethyl-4-phenyl-1,3-oxazolidin-2-one is CC1(C)OC(=O)N(C2CCC(n3c(=O)[nH]c4cc(Br)cnc43)CC2)[C@H]1c1ccccc1.
What is the InChIKey of (4S)-3-[4-(6-bromo-2-oxo-1H-imidazo[4,5-b]pyridin-3-yl)cyclohexyl]-5,5-dimethyl-4-phenyl-1,3-oxazolidin-2-one?
The InChIKey is WNAVJGWDJHECMY-TVPLGVNVSA-N. The full InChI is InChI=1S/C23H25BrN4O3/c1-23(2)19(14-6-4-3-5-7-14)27(22(30)31-23)16-8-10-17(11-9-16)28-20-18(26-21(28)29)12-15(24)13-25-20/h3-7,12-13,16-17,19H,8-11H2,1-2H3,(H,26,29)/t16?,17?,19-/m0/s1.
What are the key properties of (4S)-3-[4-(6-bromo-2-oxo-1H-imidazo[4,5-b]pyridin-3-yl)cyclohexyl]-5,5-dimethyl-4-phenyl-1,3-oxazolidin-2-one?
(4S)-3-[4-(6-bromo-2-oxo-1H-imidazo[4,5-b]pyridin-3-yl)cyclohexyl]-5,5-dimethyl-4-phenyl-1,3-oxazolidin-2-one has a molecular weight of 485.38 g/mol, XLogP of 4.94, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-3-[4-(6-bromo-2-oxo-1H-imidazo[4,5-b]pyridin-3-yl)cyclohexyl]-5,5-dimethyl-4-phenyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 71681328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).