2-[2-oxo-5-(5-pyridin-3-ylisoquinolin-1-yl)oxy-1-pyridinyl]acetic acid

C21H15N3O4 — CID 169213701

IUPAC2-[2-oxo-5-(5-pyridin-3-ylisoquinolin-1-yl)oxy-1-pyridinyl]acetic acid
SMILESO=C(O)Cn1cc(Oc2nccc3c(-c4cccnc4)cccc23)ccc1=O
InChIInChI=1S/C21H15N3O4/c25-19-7-6-15(12-24(19)13-20(26)27)28-21-18-5-1-4-16(17(18)8-10-23-21)14-3-2-9-22-11-14/h1-12H,13H2,(H,26,27)
InChIKeyXVYCVCWYLZQJFP-UHFFFAOYSA-N
MW373.37 g/mol
LogP3.34
Rot. Bonds5

About 2-[2-oxo-5-(5-pyridin-3-ylisoquinolin-1-yl)oxy-1-pyridinyl]acetic acid

2-[2-oxo-5-(5-pyridin-3-ylisoquinolin-1-yl)oxy-1-pyridinyl]acetic acid (PubChem CID 169213701) has the molecular formula C21H15N3O4 and a molecular weight of 373.37 g/mol. Its IUPAC name is 2-[2-oxo-5-(5-pyridin-3-ylisoquinolin-1-yl)oxy-1-pyridinyl]acetic acid.

Molecular Properties

Compound Name2-[2-oxo-5-(5-pyridin-3-ylisoquinolin-1-yl)oxy-1-pyridinyl]acetic acid
PubChem CID169213701
Molecular FormulaC21H15N3O4
Molecular Weight373.37 g/mol
Exact Mass373.11
IUPAC Name2-[2-oxo-5-(5-pyridin-3-ylisoquinolin-1-yl)oxy-1-pyridinyl]acetic acid
SMILESO=C(O)Cn1cc(Oc2nccc3c(-c4cccnc4)cccc23)ccc1=O
InChIInChI=1S/C21H15N3O4/c25-19-7-6-15(12-24(19)13-20(26)27)28-21-18-5-1-4-16(17(18)8-10-23-21)14-3-2-9-22-11-14/h1-12H,13H2,(H,26,27)
InChIKeyXVYCVCWYLZQJFP-UHFFFAOYSA-N
XLogP3.34
TPSA94.31 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.37
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[2-oxo-5-[(4-pyridin-3-ylisoquinolin-1-yl)amino]-1-pyridinyl]acetic acid
CID 169214028
3-(5-pyridin-3-ylnaphthalen-1-yl)pyridine
CID 169050404
2-(5-amino-3-pyridin-3-ylpyrazol-1-yl)acetic acid
CID 121214144
3-(2-methoxy-3-pyridin-3-ylphenyl)pyridine
CID 46316374
2-(3-pyridin-3-yl-1,2,4-triazol-1-yl)acetic acid
CID 82282721
4-(5-bromoisoquinolin-1-yl)oxybenzoic acid
CID 106541777
2-[2-oxo-5-[(5R)-3-oxo-9-pyridin-3-yl-2,9-diazaspiro[4.5]decan-2-yl]-1-pyridinyl]acetic acid
CID 176809221
2-[5-(4-methylphenyl)-2-oxo-1-pyridinyl]acetic acid
CID 82117838
2-phenylmethoxy-3-pyridin-3-ylbenzaldehyde
CID 22444385
3-oxo-3-(4-pyridin-3-ylphenyl)propanoic acid
CID 170887253
4-isoquinolin-1-yloxybenzoic acid
CID 80505375
2-[4-(3-isoquinolin-1-yloxyphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenol
CID 153304230

Frequently Asked Questions

What is the IUPAC name of 2-[2-oxo-5-(5-pyridin-3-ylisoquinolin-1-yl)oxy-1-pyridinyl]acetic acid?
The IUPAC name of 2-[2-oxo-5-(5-pyridin-3-ylisoquinolin-1-yl)oxy-1-pyridinyl]acetic acid (CID 169213701) is 2-[2-oxo-5-(5-pyridin-3-ylisoquinolin-1-yl)oxy-1-pyridinyl]acetic acid.
What is the SMILES notation for 2-[2-oxo-5-(5-pyridin-3-ylisoquinolin-1-yl)oxy-1-pyridinyl]acetic acid?
The canonical SMILES for 2-[2-oxo-5-(5-pyridin-3-ylisoquinolin-1-yl)oxy-1-pyridinyl]acetic acid is O=C(O)Cn1cc(Oc2nccc3c(-c4cccnc4)cccc23)ccc1=O.
What is the InChIKey of 2-[2-oxo-5-(5-pyridin-3-ylisoquinolin-1-yl)oxy-1-pyridinyl]acetic acid?
The InChIKey is XVYCVCWYLZQJFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15N3O4/c25-19-7-6-15(12-24(19)13-20(26)27)28-21-18-5-1-4-16(17(18)8-10-23-21)14-3-2-9-22-11-14/h1-12H,13H2,(H,26,27).
What are the key properties of 2-[2-oxo-5-(5-pyridin-3-ylisoquinolin-1-yl)oxy-1-pyridinyl]acetic acid?
2-[2-oxo-5-(5-pyridin-3-ylisoquinolin-1-yl)oxy-1-pyridinyl]acetic acid has a molecular weight of 373.37 g/mol, XLogP of 3.34, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-oxo-5-(5-pyridin-3-ylisoquinolin-1-yl)oxy-1-pyridinyl]acetic acid is sourced from PubChem (CID 169213701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).