3-[2-(3,4-dihydro-1H-[1]benzofuro[3,2-c]pyridin-2-yl)ethyl]-2,7-dimethylpyrido[1,2-a]pyrimidin-4-one

C23H23N3O2 — CID 22120322

IUPAC3-[2-(3,4-dihydro-1H-[1]benzofuro[3,2-c]pyridin-2-yl)ethyl]-2,7-dimethylpyrido[1,2-a]pyrimidin-4-one
SMILESCc1ccc2nc(C)c(CCN3CCc4oc5ccccc5c4C3)c(=O)n2c1
InChIInChI=1S/C23H23N3O2/c1-15-7-8-22-24-16(2)17(23(27)26(22)13-15)9-11-25-12-10-21-19(14-25)18-5-3-4-6-20(18)28-21/h3-8,13H,9-12,14H2,1-2H3
InChIKeyFPQNWBCHCMEAKI-UHFFFAOYSA-N
MW373.46 g/mol
LogP3.66
Rot. Bonds3

About 3-[2-(3,4-dihydro-1H-[1]benzofuro[3,2-c]pyridin-2-yl)ethyl]-2,7-dimethylpyrido[1,2-a]pyrimidin-4-one

3-[2-(3,4-dihydro-1H-[1]benzofuro[3,2-c]pyridin-2-yl)ethyl]-2,7-dimethylpyrido[1,2-a]pyrimidin-4-one (PubChem CID 22120322) has the molecular formula C23H23N3O2 and a molecular weight of 373.46 g/mol. Its IUPAC name is 3-[2-(3,4-dihydro-1H-[1]benzofuro[3,2-c]pyridin-2-yl)ethyl]-2,7-dimethylpyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name3-[2-(3,4-dihydro-1H-[1]benzofuro[3,2-c]pyridin-2-yl)ethyl]-2,7-dimethylpyrido[1,2-a]pyrimidin-4-one
PubChem CID22120322
Molecular FormulaC23H23N3O2
Molecular Weight373.46 g/mol
Exact Mass373.18
IUPAC Name3-[2-(3,4-dihydro-1H-[1]benzofuro[3,2-c]pyridin-2-yl)ethyl]-2,7-dimethylpyrido[1,2-a]pyrimidin-4-one
SMILESCc1ccc2nc(C)c(CCN3CCc4oc5ccccc5c4C3)c(=O)n2c1
InChIInChI=1S/C23H23N3O2/c1-15-7-8-22-24-16(2)17(23(27)26(22)13-15)9-11-25-12-10-21-19(14-25)18-5-3-4-6-20(18)28-21/h3-8,13H,9-12,14H2,1-2H3
InChIKeyFPQNWBCHCMEAKI-UHFFFAOYSA-N
XLogP3.66
TPSA50.75 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.46
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(3,4-dihydro-1H-[1]benzofuro[3,2-c]pyridin-2-yl)ethyl]-2,7-dimethylpyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 3-[2-(3,4-dihydro-1H-[1]benzofuro[3,2-c]pyridin-2-yl)ethyl]-2,7-dimethylpyrido[1,2-a]pyrimidin-4-one (CID 22120322) is 3-[2-(3,4-dihydro-1H-[1]benzofuro[3,2-c]pyridin-2-yl)ethyl]-2,7-dimethylpyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 3-[2-(3,4-dihydro-1H-[1]benzofuro[3,2-c]pyridin-2-yl)ethyl]-2,7-dimethylpyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 3-[2-(3,4-dihydro-1H-[1]benzofuro[3,2-c]pyridin-2-yl)ethyl]-2,7-dimethylpyrido[1,2-a]pyrimidin-4-one is Cc1ccc2nc(C)c(CCN3CCc4oc5ccccc5c4C3)c(=O)n2c1.
What is the InChIKey of 3-[2-(3,4-dihydro-1H-[1]benzofuro[3,2-c]pyridin-2-yl)ethyl]-2,7-dimethylpyrido[1,2-a]pyrimidin-4-one?
The InChIKey is FPQNWBCHCMEAKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O2/c1-15-7-8-22-24-16(2)17(23(27)26(22)13-15)9-11-25-12-10-21-19(14-25)18-5-3-4-6-20(18)28-21/h3-8,13H,9-12,14H2,1-2H3.
What are the key properties of 3-[2-(3,4-dihydro-1H-[1]benzofuro[3,2-c]pyridin-2-yl)ethyl]-2,7-dimethylpyrido[1,2-a]pyrimidin-4-one?
3-[2-(3,4-dihydro-1H-[1]benzofuro[3,2-c]pyridin-2-yl)ethyl]-2,7-dimethylpyrido[1,2-a]pyrimidin-4-one has a molecular weight of 373.46 g/mol, XLogP of 3.66, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(3,4-dihydro-1H-[1]benzofuro[3,2-c]pyridin-2-yl)ethyl]-2,7-dimethylpyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 22120322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).