3-(6-methoxy-3-pyridinyl)-4-[3-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propyl]-1,2,4-oxadiazol-5-yl]butanoic acid

C23H27N5O4 — CID 10457584

IUPAC3-(6-methoxy-3-pyridinyl)-4-[3-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propyl]-1,2,4-oxadiazol-5-yl]butanoic acid
SMILESCOc1ccc(C(CC(=O)O)Cc2nc(CCCc3ccc4c(n3)NCCC4)no2)cn1
InChIInChI=1S/C23H27N5O4/c1-31-20-10-8-16(14-25-20)17(13-22(29)30)12-21-27-19(28-32-21)6-2-5-18-9-7-15-4-3-11-24-23(15)26-18/h7-10,14,17H,2-6,11-13H2,1H3,(H,24,26)(H,29,30)
InChIKeyYEEBBNWKQGDACU-UHFFFAOYSA-N
MW437.50 g/mol
LogP3.20
Rot. Bonds10

About 3-(6-methoxy-3-pyridinyl)-4-[3-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propyl]-1,2,4-oxadiazol-5-yl]butanoic acid

3-(6-methoxy-3-pyridinyl)-4-[3-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propyl]-1,2,4-oxadiazol-5-yl]butanoic acid (PubChem CID 10457584) has the molecular formula C23H27N5O4 and a molecular weight of 437.50 g/mol. Its IUPAC name is 3-(6-methoxy-3-pyridinyl)-4-[3-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propyl]-1,2,4-oxadiazol-5-yl]butanoic acid.

Molecular Properties

Compound Name3-(6-methoxy-3-pyridinyl)-4-[3-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propyl]-1,2,4-oxadiazol-5-yl]butanoic acid
PubChem CID10457584
Molecular FormulaC23H27N5O4
Molecular Weight437.50 g/mol
Exact Mass437.21
IUPAC Name3-(6-methoxy-3-pyridinyl)-4-[3-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propyl]-1,2,4-oxadiazol-5-yl]butanoic acid
SMILESCOc1ccc(C(CC(=O)O)Cc2nc(CCCc3ccc4c(n3)NCCC4)no2)cn1
InChIInChI=1S/C23H27N5O4/c1-31-20-10-8-16(14-25-20)17(13-22(29)30)12-21-27-19(28-32-21)6-2-5-18-9-7-15-4-3-11-24-23(15)26-18/h7-10,14,17H,2-6,11-13H2,1H3,(H,24,26)(H,29,30)
InChIKeyYEEBBNWKQGDACU-UHFFFAOYSA-N
XLogP3.20
TPSA123.26 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.50
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 3-(6-methoxy-3-pyridinyl)-4-[3-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propyl]-1,2,4-oxadiazol-5-yl]butanoic acid with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-(6-methoxy-3-pyridinyl)-4-[3-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propyl]-1,2,4-oxadiazol-5-yl]butanoic acid?
The IUPAC name of 3-(6-methoxy-3-pyridinyl)-4-[3-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propyl]-1,2,4-oxadiazol-5-yl]butanoic acid (CID 10457584) is 3-(6-methoxy-3-pyridinyl)-4-[3-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propyl]-1,2,4-oxadiazol-5-yl]butanoic acid.
What is the SMILES notation for 3-(6-methoxy-3-pyridinyl)-4-[3-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propyl]-1,2,4-oxadiazol-5-yl]butanoic acid?
The canonical SMILES for 3-(6-methoxy-3-pyridinyl)-4-[3-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propyl]-1,2,4-oxadiazol-5-yl]butanoic acid is COc1ccc(C(CC(=O)O)Cc2nc(CCCc3ccc4c(n3)NCCC4)no2)cn1.
What is the InChIKey of 3-(6-methoxy-3-pyridinyl)-4-[3-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propyl]-1,2,4-oxadiazol-5-yl]butanoic acid?
The InChIKey is YEEBBNWKQGDACU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N5O4/c1-31-20-10-8-16(14-25-20)17(13-22(29)30)12-21-27-19(28-32-21)6-2-5-18-9-7-15-4-3-11-24-23(15)26-18/h7-10,14,17H,2-6,11-13H2,1H3,(H,24,26)(H,29,30).
What are the key properties of 3-(6-methoxy-3-pyridinyl)-4-[3-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propyl]-1,2,4-oxadiazol-5-yl]butanoic acid?
3-(6-methoxy-3-pyridinyl)-4-[3-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propyl]-1,2,4-oxadiazol-5-yl]butanoic acid has a molecular weight of 437.50 g/mol, XLogP of 3.20, 10 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-methoxy-3-pyridinyl)-4-[3-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propyl]-1,2,4-oxadiazol-5-yl]butanoic acid is sourced from PubChem (CID 10457584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).