3-[5-[3-(1,8-naphthyridin-2-yl)propyl]indol-1-yl]hexanoic acid

C25H27N3O2 — CID 22570279

IUPAC3-[5-[3-(1,8-naphthyridin-2-yl)propyl]indol-1-yl]hexanoic acid
SMILESCCCC(CC(=O)O)n1ccc2cc(CCCc3ccc4cccnc4n3)ccc21
InChIInChI=1S/C25H27N3O2/c1-2-5-22(17-24(29)30)28-15-13-20-16-18(9-12-23(20)28)6-3-8-21-11-10-19-7-4-14-26-25(19)27-21/h4,7,9-16,22H,2-3,5-6,8,17H2,1H3,(H,29,30)
InChIKeyDWZFKMFJUQOCHM-UHFFFAOYSA-N
MW401.51 g/mol
LogP5.58
Rot. Bonds9

About 3-[5-[3-(1,8-naphthyridin-2-yl)propyl]indol-1-yl]hexanoic acid

3-[5-[3-(1,8-naphthyridin-2-yl)propyl]indol-1-yl]hexanoic acid (PubChem CID 22570279) has the molecular formula C25H27N3O2 and a molecular weight of 401.51 g/mol. Its IUPAC name is 3-[5-[3-(1,8-naphthyridin-2-yl)propyl]indol-1-yl]hexanoic acid.

Molecular Properties

Compound Name3-[5-[3-(1,8-naphthyridin-2-yl)propyl]indol-1-yl]hexanoic acid
PubChem CID22570279
Molecular FormulaC25H27N3O2
Molecular Weight401.51 g/mol
Exact Mass401.21
IUPAC Name3-[5-[3-(1,8-naphthyridin-2-yl)propyl]indol-1-yl]hexanoic acid
SMILESCCCC(CC(=O)O)n1ccc2cc(CCCc3ccc4cccnc4n3)ccc21
InChIInChI=1S/C25H27N3O2/c1-2-5-22(17-24(29)30)28-15-13-20-16-18(9-12-23(20)28)6-3-8-21-11-10-19-7-4-14-26-25(19)27-21/h4,7,9-16,22H,2-3,5-6,8,17H2,1H3,(H,29,30)
InChIKeyDWZFKMFJUQOCHM-UHFFFAOYSA-N
XLogP5.58
TPSA68.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500401.51
LogP ≤ 55.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethane;5-(1,8-naphthyridin-2-yl)pentanoic acid
CID 162436158
4-(1,8-naphthyridin-2-yl)butanoic acid
CID 25419194
2-pentyl-1,8-naphthyridine
CID 11481079
3-[5-[2-[6-(methylamino)-2-pyridinyl]ethoxy]indol-1-yl]octanoic acid
CID 142158782
ethane;2-methylpyrimidine;9-(1,8-naphthyridin-2-yl)nonanoic acid;propane
CID 142124953
4-pyrrolo[2,3-b]pyridin-1-yloctan-2-one
CID 11680334
methyl 5-(1,8-naphthyridin-2-yl)pentanoate
CID 11447926
ethyl 1-[3-(1,8-naphthyridin-2-yl)propyl]pyrrole-2-carboxylate
CID 175788688
ethyl 3-(5-nitroindol-1-yl)hexanoate
CID 67427314
(3S)-3-(6-methoxy-3-pyridinyl)-3-[3-methyl-3-[4-(1,8-naphthyridin-2-yl)butyl]-2-oxoazetidin-1-yl]propanoic acid
CID 134500053
3-methyl-4-[1-[phenyl(pyridin-3-yl)methyl]indol-5-yl]but-2-enoic acid
CID 67754225
tert-butyl 3-[3-(1,8-naphthyridin-2-yl)propoxymethyl]pyrrolidine-1-carboxylate
CID 146423056

Frequently Asked Questions

What is the IUPAC name of 3-[5-[3-(1,8-naphthyridin-2-yl)propyl]indol-1-yl]hexanoic acid?
The IUPAC name of 3-[5-[3-(1,8-naphthyridin-2-yl)propyl]indol-1-yl]hexanoic acid (CID 22570279) is 3-[5-[3-(1,8-naphthyridin-2-yl)propyl]indol-1-yl]hexanoic acid.
What is the SMILES notation for 3-[5-[3-(1,8-naphthyridin-2-yl)propyl]indol-1-yl]hexanoic acid?
The canonical SMILES for 3-[5-[3-(1,8-naphthyridin-2-yl)propyl]indol-1-yl]hexanoic acid is CCCC(CC(=O)O)n1ccc2cc(CCCc3ccc4cccnc4n3)ccc21.
What is the InChIKey of 3-[5-[3-(1,8-naphthyridin-2-yl)propyl]indol-1-yl]hexanoic acid?
The InChIKey is DWZFKMFJUQOCHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N3O2/c1-2-5-22(17-24(29)30)28-15-13-20-16-18(9-12-23(20)28)6-3-8-21-11-10-19-7-4-14-26-25(19)27-21/h4,7,9-16,22H,2-3,5-6,8,17H2,1H3,(H,29,30).
What are the key properties of 3-[5-[3-(1,8-naphthyridin-2-yl)propyl]indol-1-yl]hexanoic acid?
3-[5-[3-(1,8-naphthyridin-2-yl)propyl]indol-1-yl]hexanoic acid has a molecular weight of 401.51 g/mol, XLogP of 5.58, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-[3-(1,8-naphthyridin-2-yl)propyl]indol-1-yl]hexanoic acid is sourced from PubChem (CID 22570279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).