(4R)-4-benzyl-3-[3-(5,6-dimethoxy-3-pyridinyl)imidazo[1,2-a]pyridin-6-yl]-1,3-oxazolidin-2-one

C24H22N4O4 — CID 46913423

IUPAC(4R)-4-benzyl-3-[3-(5,6-dimethoxy-3-pyridinyl)imidazo[1,2-a]pyridin-6-yl]-1,3-oxazolidin-2-one
SMILESCOc1cc(-c2cnc3ccc(N4C(=O)OC[C@H]4Cc4ccccc4)cn23)cnc1OC
InChIInChI=1S/C24H22N4O4/c1-30-21-11-17(12-26-23(21)31-2)20-13-25-22-9-8-18(14-27(20)22)28-19(15-32-24(28)29)10-16-6-4-3-5-7-16/h3-9,11-14,19H,10,15H2,1-2H3/t19-/m1/s1
InChIKeyFWFTZKCIRBSVCS-LJQANCHMSA-N
MW430.46 g/mol
LogP3.98
Rot. Bonds6

About (4R)-4-benzyl-3-[3-(5,6-dimethoxy-3-pyridinyl)imidazo[1,2-a]pyridin-6-yl]-1,3-oxazolidin-2-one

(4R)-4-benzyl-3-[3-(5,6-dimethoxy-3-pyridinyl)imidazo[1,2-a]pyridin-6-yl]-1,3-oxazolidin-2-one (PubChem CID 46913423) has the molecular formula C24H22N4O4 and a molecular weight of 430.46 g/mol. Its IUPAC name is (4R)-4-benzyl-3-[3-(5,6-dimethoxy-3-pyridinyl)imidazo[1,2-a]pyridin-6-yl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4R)-4-benzyl-3-[3-(5,6-dimethoxy-3-pyridinyl)imidazo[1,2-a]pyridin-6-yl]-1,3-oxazolidin-2-one
PubChem CID46913423
Molecular FormulaC24H22N4O4
Molecular Weight430.46 g/mol
Exact Mass430.16
IUPAC Name(4R)-4-benzyl-3-[3-(5,6-dimethoxy-3-pyridinyl)imidazo[1,2-a]pyridin-6-yl]-1,3-oxazolidin-2-one
SMILESCOc1cc(-c2cnc3ccc(N4C(=O)OC[C@H]4Cc4ccccc4)cn23)cnc1OC
InChIInChI=1S/C24H22N4O4/c1-30-21-11-17(12-26-23(21)31-2)20-13-25-22-9-8-18(14-27(20)22)28-19(15-32-24(28)29)10-16-6-4-3-5-7-16/h3-9,11-14,19H,10,15H2,1-2H3/t19-/m1/s1
InChIKeyFWFTZKCIRBSVCS-LJQANCHMSA-N
XLogP3.98
TPSA78.19 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.46
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (4R)-4-benzyl-3-[3-(5,6-dimethoxy-3-pyridinyl)imidazo[1,2-a]pyridin-6-yl]-1,3-oxazolidin-2-one?
The IUPAC name of (4R)-4-benzyl-3-[3-(5,6-dimethoxy-3-pyridinyl)imidazo[1,2-a]pyridin-6-yl]-1,3-oxazolidin-2-one (CID 46913423) is (4R)-4-benzyl-3-[3-(5,6-dimethoxy-3-pyridinyl)imidazo[1,2-a]pyridin-6-yl]-1,3-oxazolidin-2-one.
What is the SMILES notation for (4R)-4-benzyl-3-[3-(5,6-dimethoxy-3-pyridinyl)imidazo[1,2-a]pyridin-6-yl]-1,3-oxazolidin-2-one?
The canonical SMILES for (4R)-4-benzyl-3-[3-(5,6-dimethoxy-3-pyridinyl)imidazo[1,2-a]pyridin-6-yl]-1,3-oxazolidin-2-one is COc1cc(-c2cnc3ccc(N4C(=O)OC[C@H]4Cc4ccccc4)cn23)cnc1OC.
What is the InChIKey of (4R)-4-benzyl-3-[3-(5,6-dimethoxy-3-pyridinyl)imidazo[1,2-a]pyridin-6-yl]-1,3-oxazolidin-2-one?
The InChIKey is FWFTZKCIRBSVCS-LJQANCHMSA-N. The full InChI is InChI=1S/C24H22N4O4/c1-30-21-11-17(12-26-23(21)31-2)20-13-25-22-9-8-18(14-27(20)22)28-19(15-32-24(28)29)10-16-6-4-3-5-7-16/h3-9,11-14,19H,10,15H2,1-2H3/t19-/m1/s1.
What are the key properties of (4R)-4-benzyl-3-[3-(5,6-dimethoxy-3-pyridinyl)imidazo[1,2-a]pyridin-6-yl]-1,3-oxazolidin-2-one?
(4R)-4-benzyl-3-[3-(5,6-dimethoxy-3-pyridinyl)imidazo[1,2-a]pyridin-6-yl]-1,3-oxazolidin-2-one has a molecular weight of 430.46 g/mol, XLogP of 3.98, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-benzyl-3-[3-(5,6-dimethoxy-3-pyridinyl)imidazo[1,2-a]pyridin-6-yl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 46913423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).