6-(2-morpholin-2-ylphenyl)-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1H-pyridin-2-one

C22H20N4O2 — CID 174675916

IUPAC6-(2-morpholin-2-ylphenyl)-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1H-pyridin-2-one
SMILESO=c1cc(-c2c[nH]c3ncccc23)cc(-c2ccccc2C2CNCCO2)[nH]1
InChIInChI=1S/C22H20N4O2/c27-21-11-14(18-12-25-22-17(18)6-3-7-24-22)10-19(26-21)15-4-1-2-5-16(15)20-13-23-8-9-28-20/h1-7,10-12,20,23H,8-9,13H2,(H,24,25)(H,26,27)
InChIKeyXYQAUCMGLGFDPS-UHFFFAOYSA-N
MW372.43 g/mol
LogP3.25
Rot. Bonds3

About 6-(2-morpholin-2-ylphenyl)-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1H-pyridin-2-one

6-(2-morpholin-2-ylphenyl)-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1H-pyridin-2-one (PubChem CID 174675916) has the molecular formula C22H20N4O2 and a molecular weight of 372.43 g/mol. Its IUPAC name is 6-(2-morpholin-2-ylphenyl)-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1H-pyridin-2-one.

Molecular Properties

Compound Name6-(2-morpholin-2-ylphenyl)-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1H-pyridin-2-one
PubChem CID174675916
Molecular FormulaC22H20N4O2
Molecular Weight372.43 g/mol
Exact Mass372.16
IUPAC Name6-(2-morpholin-2-ylphenyl)-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1H-pyridin-2-one
SMILESO=c1cc(-c2c[nH]c3ncccc23)cc(-c2ccccc2C2CNCCO2)[nH]1
InChIInChI=1S/C22H20N4O2/c27-21-11-14(18-12-25-22-17(18)6-3-7-24-22)10-19(26-21)15-4-1-2-5-16(15)20-13-23-8-9-28-20/h1-7,10-12,20,23H,8-9,13H2,(H,24,25)(H,26,27)
InChIKeyXYQAUCMGLGFDPS-UHFFFAOYSA-N
XLogP3.25
TPSA82.80 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.43
LogP ≤ 53.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(2-morpholin-2-ylphenyl)-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1H-pyridin-2-one?
The IUPAC name of 6-(2-morpholin-2-ylphenyl)-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1H-pyridin-2-one (CID 174675916) is 6-(2-morpholin-2-ylphenyl)-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1H-pyridin-2-one.
What is the SMILES notation for 6-(2-morpholin-2-ylphenyl)-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1H-pyridin-2-one?
The canonical SMILES for 6-(2-morpholin-2-ylphenyl)-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1H-pyridin-2-one is O=c1cc(-c2c[nH]c3ncccc23)cc(-c2ccccc2C2CNCCO2)[nH]1.
What is the InChIKey of 6-(2-morpholin-2-ylphenyl)-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1H-pyridin-2-one?
The InChIKey is XYQAUCMGLGFDPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N4O2/c27-21-11-14(18-12-25-22-17(18)6-3-7-24-22)10-19(26-21)15-4-1-2-5-16(15)20-13-23-8-9-28-20/h1-7,10-12,20,23H,8-9,13H2,(H,24,25)(H,26,27).
What are the key properties of 6-(2-morpholin-2-ylphenyl)-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1H-pyridin-2-one?
6-(2-morpholin-2-ylphenyl)-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1H-pyridin-2-one has a molecular weight of 372.43 g/mol, XLogP of 3.25, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-morpholin-2-ylphenyl)-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1H-pyridin-2-one is sourced from PubChem (CID 174675916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).