(4R)-4-[(5-chloro-7-morpholin-4-ylimidazo[4,5-b]pyridin-3-yl)methyl]-3-methyl-1,3-oxazolidin-2-one

C15H18ClN5O3 — CID 172568827

IUPAC(4R)-4-[(5-chloro-7-morpholin-4-ylimidazo[4,5-b]pyridin-3-yl)methyl]-3-methyl-1,3-oxazolidin-2-one
SMILESCN1C(=O)OC[C@H]1Cn1cnc2c(N3CCOCC3)cc(Cl)nc21
InChIInChI=1S/C15H18ClN5O3/c1-19-10(8-24-15(19)22)7-21-9-17-13-11(6-12(16)18-14(13)21)20-2-4-23-5-3-20/h6,9-10H,2-5,7-8H2,1H3/t10-/m1/s1
InChIKeyQMVRYMYCQWCPDF-SNVBAGLBSA-N
MW351.79 g/mol
LogP1.37
Rot. Bonds3

About (4R)-4-[(5-chloro-7-morpholin-4-ylimidazo[4,5-b]pyridin-3-yl)methyl]-3-methyl-1,3-oxazolidin-2-one

(4R)-4-[(5-chloro-7-morpholin-4-ylimidazo[4,5-b]pyridin-3-yl)methyl]-3-methyl-1,3-oxazolidin-2-one (PubChem CID 172568827) has the molecular formula C15H18ClN5O3 and a molecular weight of 351.79 g/mol. Its IUPAC name is (4R)-4-[(5-chloro-7-morpholin-4-ylimidazo[4,5-b]pyridin-3-yl)methyl]-3-methyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4R)-4-[(5-chloro-7-morpholin-4-ylimidazo[4,5-b]pyridin-3-yl)methyl]-3-methyl-1,3-oxazolidin-2-one
PubChem CID172568827
Molecular FormulaC15H18ClN5O3
Molecular Weight351.79 g/mol
Exact Mass351.11
IUPAC Name(4R)-4-[(5-chloro-7-morpholin-4-ylimidazo[4,5-b]pyridin-3-yl)methyl]-3-methyl-1,3-oxazolidin-2-one
SMILESCN1C(=O)OC[C@H]1Cn1cnc2c(N3CCOCC3)cc(Cl)nc21
InChIInChI=1S/C15H18ClN5O3/c1-19-10(8-24-15(19)22)7-21-9-17-13-11(6-12(16)18-14(13)21)20-2-4-23-5-3-20/h6,9-10H,2-5,7-8H2,1H3/t10-/m1/s1
InChIKeyQMVRYMYCQWCPDF-SNVBAGLBSA-N
XLogP1.37
TPSA72.72 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.79
LogP ≤ 51.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (4R)-4-[(5-chloro-7-morpholin-4-ylimidazo[4,5-b]pyridin-3-yl)methyl]-3-methyl-1,3-oxazolidin-2-one?
The IUPAC name of (4R)-4-[(5-chloro-7-morpholin-4-ylimidazo[4,5-b]pyridin-3-yl)methyl]-3-methyl-1,3-oxazolidin-2-one (CID 172568827) is (4R)-4-[(5-chloro-7-morpholin-4-ylimidazo[4,5-b]pyridin-3-yl)methyl]-3-methyl-1,3-oxazolidin-2-one.
What is the SMILES notation for (4R)-4-[(5-chloro-7-morpholin-4-ylimidazo[4,5-b]pyridin-3-yl)methyl]-3-methyl-1,3-oxazolidin-2-one?
The canonical SMILES for (4R)-4-[(5-chloro-7-morpholin-4-ylimidazo[4,5-b]pyridin-3-yl)methyl]-3-methyl-1,3-oxazolidin-2-one is CN1C(=O)OC[C@H]1Cn1cnc2c(N3CCOCC3)cc(Cl)nc21.
What is the InChIKey of (4R)-4-[(5-chloro-7-morpholin-4-ylimidazo[4,5-b]pyridin-3-yl)methyl]-3-methyl-1,3-oxazolidin-2-one?
The InChIKey is QMVRYMYCQWCPDF-SNVBAGLBSA-N. The full InChI is InChI=1S/C15H18ClN5O3/c1-19-10(8-24-15(19)22)7-21-9-17-13-11(6-12(16)18-14(13)21)20-2-4-23-5-3-20/h6,9-10H,2-5,7-8H2,1H3/t10-/m1/s1.
What are the key properties of (4R)-4-[(5-chloro-7-morpholin-4-ylimidazo[4,5-b]pyridin-3-yl)methyl]-3-methyl-1,3-oxazolidin-2-one?
(4R)-4-[(5-chloro-7-morpholin-4-ylimidazo[4,5-b]pyridin-3-yl)methyl]-3-methyl-1,3-oxazolidin-2-one has a molecular weight of 351.79 g/mol, XLogP of 1.37, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-[(5-chloro-7-morpholin-4-ylimidazo[4,5-b]pyridin-3-yl)methyl]-3-methyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 172568827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).