(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

C27H28N6O3 — CID 71712239

IUPAC(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
SMILESCC1(C)OC(=O)N(C2CCC(c3cnc4[nH]c(=O)n(-c5ncccn5)c4c3)CC2)[C@H]1c1ccccc1
InChIInChI=1S/C27H28N6O3/c1-27(2)22(18-7-4-3-5-8-18)32(26(35)36-27)20-11-9-17(10-12-20)19-15-21-23(30-16-19)31-25(34)33(21)24-28-13-6-14-29-24/h3-8,13-17,20,22H,9-12H2,1-2H3,(H,30,31,34)/t17?,20?,22-/m0/s1
InChIKeyQYKQIPUMYRCBNC-QVHXHXEWSA-N
MW484.56 g/mol
LogP4.50
Rot. Bonds4

About (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

(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 (PubChem CID 71712239) has the molecular formula C27H28N6O3 and a molecular weight of 484.56 g/mol. Its IUPAC name is (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.

Molecular Properties

Compound Name(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
PubChem CID71712239
Molecular FormulaC27H28N6O3
Molecular Weight484.56 g/mol
Exact Mass484.22
IUPAC Name(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
SMILESCC1(C)OC(=O)N(C2CCC(c3cnc4[nH]c(=O)n(-c5ncccn5)c4c3)CC2)[C@H]1c1ccccc1
InChIInChI=1S/C27H28N6O3/c1-27(2)22(18-7-4-3-5-8-18)32(26(35)36-27)20-11-9-17(10-12-20)19-15-21-23(30-16-19)31-25(34)33(21)24-28-13-6-14-29-24/h3-8,13-17,20,22H,9-12H2,1-2H3,(H,30,31,34)/t17?,20?,22-/m0/s1
InChIKeyQYKQIPUMYRCBNC-QVHXHXEWSA-N
XLogP4.50
TPSA106.00 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.56
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze (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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of (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?
The IUPAC name of (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) is (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.
What is the SMILES notation for (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?
The canonical SMILES for (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 is CC1(C)OC(=O)N(C2CCC(c3cnc4[nH]c(=O)n(-c5ncccn5)c4c3)CC2)[C@H]1c1ccccc1.
What is the InChIKey of (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?
The InChIKey is QYKQIPUMYRCBNC-QVHXHXEWSA-N. The full InChI is InChI=1S/C27H28N6O3/c1-27(2)22(18-7-4-3-5-8-18)32(26(35)36-27)20-11-9-17(10-12-20)19-15-21-23(30-16-19)31-25(34)33(21)24-28-13-6-14-29-24/h3-8,13-17,20,22H,9-12H2,1-2H3,(H,30,31,34)/t17?,20?,22-/m0/s1.
What are the key properties of (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?
(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 has a molecular weight of 484.56 g/mol, XLogP of 4.50, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (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 is sourced from PubChem (CID 71712239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).