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

C46H52N8O6 — CID 157227379

IUPAC(4S)-5,5-dimethyl-3-[4-(2-oxo-1H-imidazo[4,5-b]pyridin-3-yl)cyclohexyl]-4-phenyl-1,3-oxazolidin-2-one;(4R)-5,5-dimethyl-3-[4-(2-oxo-1H-imidazo[4,5-b]pyridin-3-yl)cyclohexyl]-4-phenyl-1,3-oxazolidin-2-one
SMILESCC1(C)OC(=O)N(C2CCC(n3c(=O)[nH]c4cccnc43)CC2)[C@@H]1c1ccccc1.CC1(C)OC(=O)N(C2CCC(n3c(=O)[nH]c4cccnc43)CC2)[C@H]1c1ccccc1
InChIInChI=1S/2C23H26N4O3/c2*1-23(2)19(15-7-4-3-5-8-15)26(22(29)30-23)16-10-12-17(13-11-16)27-20-18(25-21(27)28)9-6-14-24-20/h2*3-9,14,16-17,19H,10-13H2,1-2H3,(H,25,28)/t2*16?,17?,19-/m10/s1
InChIKeyATRSJEYCOGGKIX-DDLJWAGYSA-N
MW812.97 g/mol
LogP8.36
Rot. Bonds6

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

(4S)-5,5-dimethyl-3-[4-(2-oxo-1H-imidazo[4,5-b]pyridin-3-yl)cyclohexyl]-4-phenyl-1,3-oxazolidin-2-one;(4R)-5,5-dimethyl-3-[4-(2-oxo-1H-imidazo[4,5-b]pyridin-3-yl)cyclohexyl]-4-phenyl-1,3-oxazolidin-2-one (PubChem CID 157227379) has the molecular formula C46H52N8O6 and a molecular weight of 812.97 g/mol. Its IUPAC name is (4S)-5,5-dimethyl-3-[4-(2-oxo-1H-imidazo[4,5-b]pyridin-3-yl)cyclohexyl]-4-phenyl-1,3-oxazolidin-2-one;(4R)-5,5-dimethyl-3-[4-(2-oxo-1H-imidazo[4,5-b]pyridin-3-yl)cyclohexyl]-4-phenyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4S)-5,5-dimethyl-3-[4-(2-oxo-1H-imidazo[4,5-b]pyridin-3-yl)cyclohexyl]-4-phenyl-1,3-oxazolidin-2-one;(4R)-5,5-dimethyl-3-[4-(2-oxo-1H-imidazo[4,5-b]pyridin-3-yl)cyclohexyl]-4-phenyl-1,3-oxazolidin-2-one
PubChem CID157227379
Molecular FormulaC46H52N8O6
Molecular Weight812.97 g/mol
Exact Mass812.40
IUPAC Name(4S)-5,5-dimethyl-3-[4-(2-oxo-1H-imidazo[4,5-b]pyridin-3-yl)cyclohexyl]-4-phenyl-1,3-oxazolidin-2-one;(4R)-5,5-dimethyl-3-[4-(2-oxo-1H-imidazo[4,5-b]pyridin-3-yl)cyclohexyl]-4-phenyl-1,3-oxazolidin-2-one
SMILESCC1(C)OC(=O)N(C2CCC(n3c(=O)[nH]c4cccnc43)CC2)[C@@H]1c1ccccc1.CC1(C)OC(=O)N(C2CCC(n3c(=O)[nH]c4cccnc43)CC2)[C@H]1c1ccccc1
InChIInChI=1S/2C23H26N4O3/c2*1-23(2)19(15-7-4-3-5-8-15)26(22(29)30-23)16-10-12-17(13-11-16)27-20-18(25-21(27)28)9-6-14-24-20/h2*3-9,14,16-17,19H,10-13H2,1-2H3,(H,25,28)/t2*16?,17?,19-/m10/s1
InChIKeyATRSJEYCOGGKIX-DDLJWAGYSA-N
XLogP8.36
TPSA160.44 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500812.97
LogP ≤ 58.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4S)-5,5-dimethyl-3-[4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)cyclohexyl]-4-phenyl-1,3-oxazolidin-2-one
CID 71681178
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
(4S)-5,5-dimethyl-3-[4-(2-oxo-1H-imidazo[4,5-b]pyridin-3-yl)cyclohexyl]-4-phenyl-1,3-oxazolidin-2-one
CID 71681485
(4S)-5,5-dimethyl-3-[4-(8-oxo-7H-purin-9-yl)cyclohexyl]-4-phenyl-1,3-oxazolidin-2-one
CID 71681649
(4S)-5,5-dimethyl-3-[4-(2-oxo-1-pyrimidin-2-yl-3H-imidazo[4,5-b]pyridin-6-yl)cyclohexyl]-4-phenyl-1,3-oxazolidin-2-one
CID 71712239
(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
5,5-dimethyl-3-[4-(2-oxo-1H-imidazo[4,5-b]pyridin-3-yl)cyclohexyl]-4-phenyl-1,3-oxazolidin-2-one
CID 78148422
(4R)-5,5-dimethyl-3-[4-(2-oxo-1H-imidazo[4,5-b]pyridin-3-yl)cyclohexyl]-4-phenyl-1,3-oxazolidin-2-one
CID 89827420
(4R)-5,5-dimethyl-3-[4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)cyclohexyl]-4-phenyl-1,3-oxazolidin-2-one
CID 89827423
(4R)-5,5-dimethyl-3-[4-(2-oxo-1-pyrimidin-2-yl-3H-imidazo[4,5-b]pyridin-6-yl)cyclohexyl]-4-phenyl-1,3-oxazolidin-2-one
CID 89827517
(4S)-5,5-dimethyl-3-[6-(2-oxo-3H-benzimidazol-1-yl)-3-pyridinyl]-4-phenyl-1,3-oxazolidin-2-one
CID 89815170
(4S)-3-[6-[(1R,9R)-5-[3-fluoro-4-[(1S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]anilino]-1,11,11-trimethyl-12-oxa-4,6,8-triazatricyclo[7.4.0.02,7]trideca-2,4,6-trien-8-yl]-2-pyridinyl]-4-methyl-1,3-oxazolidin-2-one
CID 171624716

Frequently Asked Questions

What is the IUPAC name of (4S)-5,5-dimethyl-3-[4-(2-oxo-1H-imidazo[4,5-b]pyridin-3-yl)cyclohexyl]-4-phenyl-1,3-oxazolidin-2-one;(4R)-5,5-dimethyl-3-[4-(2-oxo-1H-imidazo[4,5-b]pyridin-3-yl)cyclohexyl]-4-phenyl-1,3-oxazolidin-2-one?
The IUPAC name of (4S)-5,5-dimethyl-3-[4-(2-oxo-1H-imidazo[4,5-b]pyridin-3-yl)cyclohexyl]-4-phenyl-1,3-oxazolidin-2-one;(4R)-5,5-dimethyl-3-[4-(2-oxo-1H-imidazo[4,5-b]pyridin-3-yl)cyclohexyl]-4-phenyl-1,3-oxazolidin-2-one (CID 157227379) is (4S)-5,5-dimethyl-3-[4-(2-oxo-1H-imidazo[4,5-b]pyridin-3-yl)cyclohexyl]-4-phenyl-1,3-oxazolidin-2-one;(4R)-5,5-dimethyl-3-[4-(2-oxo-1H-imidazo[4,5-b]pyridin-3-yl)cyclohexyl]-4-phenyl-1,3-oxazolidin-2-one.
What is the SMILES notation for (4S)-5,5-dimethyl-3-[4-(2-oxo-1H-imidazo[4,5-b]pyridin-3-yl)cyclohexyl]-4-phenyl-1,3-oxazolidin-2-one;(4R)-5,5-dimethyl-3-[4-(2-oxo-1H-imidazo[4,5-b]pyridin-3-yl)cyclohexyl]-4-phenyl-1,3-oxazolidin-2-one?
The canonical SMILES for (4S)-5,5-dimethyl-3-[4-(2-oxo-1H-imidazo[4,5-b]pyridin-3-yl)cyclohexyl]-4-phenyl-1,3-oxazolidin-2-one;(4R)-5,5-dimethyl-3-[4-(2-oxo-1H-imidazo[4,5-b]pyridin-3-yl)cyclohexyl]-4-phenyl-1,3-oxazolidin-2-one is CC1(C)OC(=O)N(C2CCC(n3c(=O)[nH]c4cccnc43)CC2)[C@@H]1c1ccccc1.CC1(C)OC(=O)N(C2CCC(n3c(=O)[nH]c4cccnc43)CC2)[C@H]1c1ccccc1.
What is the InChIKey of (4S)-5,5-dimethyl-3-[4-(2-oxo-1H-imidazo[4,5-b]pyridin-3-yl)cyclohexyl]-4-phenyl-1,3-oxazolidin-2-one;(4R)-5,5-dimethyl-3-[4-(2-oxo-1H-imidazo[4,5-b]pyridin-3-yl)cyclohexyl]-4-phenyl-1,3-oxazolidin-2-one?
The InChIKey is ATRSJEYCOGGKIX-DDLJWAGYSA-N. The full InChI is InChI=1S/2C23H26N4O3/c2*1-23(2)19(15-7-4-3-5-8-15)26(22(29)30-23)16-10-12-17(13-11-16)27-20-18(25-21(27)28)9-6-14-24-20/h2*3-9,14,16-17,19H,10-13H2,1-2H3,(H,25,28)/t2*16?,17?,19-/m10/s1.
What are the key properties of (4S)-5,5-dimethyl-3-[4-(2-oxo-1H-imidazo[4,5-b]pyridin-3-yl)cyclohexyl]-4-phenyl-1,3-oxazolidin-2-one;(4R)-5,5-dimethyl-3-[4-(2-oxo-1H-imidazo[4,5-b]pyridin-3-yl)cyclohexyl]-4-phenyl-1,3-oxazolidin-2-one?
(4S)-5,5-dimethyl-3-[4-(2-oxo-1H-imidazo[4,5-b]pyridin-3-yl)cyclohexyl]-4-phenyl-1,3-oxazolidin-2-one;(4R)-5,5-dimethyl-3-[4-(2-oxo-1H-imidazo[4,5-b]pyridin-3-yl)cyclohexyl]-4-phenyl-1,3-oxazolidin-2-one has a molecular weight of 812.97 g/mol, XLogP of 8.36, 6 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-5,5-dimethyl-3-[4-(2-oxo-1H-imidazo[4,5-b]pyridin-3-yl)cyclohexyl]-4-phenyl-1,3-oxazolidin-2-one;(4R)-5,5-dimethyl-3-[4-(2-oxo-1H-imidazo[4,5-b]pyridin-3-yl)cyclohexyl]-4-phenyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 157227379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).