5-[3-[(1R)-1-phenylethyl]-1,2-dihydroimidazo[4,5-b]pyridin-5-yl]quinoline

C23H20N4 — CID 91137046

IUPAC5-[3-[(1R)-1-phenylethyl]-1,2-dihydroimidazo[4,5-b]pyridin-5-yl]quinoline
SMILESC[C@H](c1ccccc1)N1CNc2ccc(-c3cccc4ncccc34)nc21
InChIInChI=1S/C23H20N4/c1-16(17-7-3-2-4-8-17)27-15-25-22-13-12-21(26-23(22)27)19-9-5-11-20-18(19)10-6-14-24-20/h2-14,16,25H,15H2,1H3/t16-/m1/s1
InChIKeyXGDXFOKRKFKTCZ-MRXNPFEDSA-N
MW352.44 g/mol
LogP5.25
Rot. Bonds3

About 5-[3-[(1R)-1-phenylethyl]-1,2-dihydroimidazo[4,5-b]pyridin-5-yl]quinoline

5-[3-[(1R)-1-phenylethyl]-1,2-dihydroimidazo[4,5-b]pyridin-5-yl]quinoline (PubChem CID 91137046) has the molecular formula C23H20N4 and a molecular weight of 352.44 g/mol. Its IUPAC name is 5-[3-[(1R)-1-phenylethyl]-1,2-dihydroimidazo[4,5-b]pyridin-5-yl]quinoline.

Molecular Properties

Compound Name5-[3-[(1R)-1-phenylethyl]-1,2-dihydroimidazo[4,5-b]pyridin-5-yl]quinoline
PubChem CID91137046
Molecular FormulaC23H20N4
Molecular Weight352.44 g/mol
Exact Mass352.17
IUPAC Name5-[3-[(1R)-1-phenylethyl]-1,2-dihydroimidazo[4,5-b]pyridin-5-yl]quinoline
SMILESC[C@H](c1ccccc1)N1CNc2ccc(-c3cccc4ncccc34)nc21
InChIInChI=1S/C23H20N4/c1-16(17-7-3-2-4-8-17)27-15-25-22-13-12-21(26-23(22)27)19-9-5-11-20-18(19)10-6-14-24-20/h2-14,16,25H,15H2,1H3/t16-/m1/s1
InChIKeyXGDXFOKRKFKTCZ-MRXNPFEDSA-N
XLogP5.25
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.44
LogP ≤ 55.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[3-[(1R)-1-phenylethyl]-1,2-dihydroimidazo[4,5-b]pyridin-5-yl]quinoline?
The IUPAC name of 5-[3-[(1R)-1-phenylethyl]-1,2-dihydroimidazo[4,5-b]pyridin-5-yl]quinoline (CID 91137046) is 5-[3-[(1R)-1-phenylethyl]-1,2-dihydroimidazo[4,5-b]pyridin-5-yl]quinoline.
What is the SMILES notation for 5-[3-[(1R)-1-phenylethyl]-1,2-dihydroimidazo[4,5-b]pyridin-5-yl]quinoline?
The canonical SMILES for 5-[3-[(1R)-1-phenylethyl]-1,2-dihydroimidazo[4,5-b]pyridin-5-yl]quinoline is C[C@H](c1ccccc1)N1CNc2ccc(-c3cccc4ncccc34)nc21.
What is the InChIKey of 5-[3-[(1R)-1-phenylethyl]-1,2-dihydroimidazo[4,5-b]pyridin-5-yl]quinoline?
The InChIKey is XGDXFOKRKFKTCZ-MRXNPFEDSA-N. The full InChI is InChI=1S/C23H20N4/c1-16(17-7-3-2-4-8-17)27-15-25-22-13-12-21(26-23(22)27)19-9-5-11-20-18(19)10-6-14-24-20/h2-14,16,25H,15H2,1H3/t16-/m1/s1.
What are the key properties of 5-[3-[(1R)-1-phenylethyl]-1,2-dihydroimidazo[4,5-b]pyridin-5-yl]quinoline?
5-[3-[(1R)-1-phenylethyl]-1,2-dihydroimidazo[4,5-b]pyridin-5-yl]quinoline has a molecular weight of 352.44 g/mol, XLogP of 5.25, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-[(1R)-1-phenylethyl]-1,2-dihydroimidazo[4,5-b]pyridin-5-yl]quinoline is sourced from PubChem (CID 91137046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).