3-pyridin-2-yl-3-[5-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethoxy]indol-1-yl]prop-2-enoic acid

C26H24N4O3 — CID 67427537

IUPAC3-pyridin-2-yl-3-[5-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethoxy]indol-1-yl]prop-2-enoic acid
SMILESO=C(O)C=C(c1ccccn1)n1ccc2cc(OCCc3ccc4c(n3)NCCC4)ccc21
InChIInChI=1S/C26H24N4O3/c31-25(32)17-24(22-5-1-2-12-27-22)30-14-10-19-16-21(8-9-23(19)30)33-15-11-20-7-6-18-4-3-13-28-26(18)29-20/h1-2,5-10,12,14,16-17H,3-4,11,13,15H2,(H,28,29)(H,31,32)
InChIKeyQSGSQIMTOUJJQO-UHFFFAOYSA-N
MW440.50 g/mol
LogP4.38
Rot. Bonds7

About 3-pyridin-2-yl-3-[5-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethoxy]indol-1-yl]prop-2-enoic acid

3-pyridin-2-yl-3-[5-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethoxy]indol-1-yl]prop-2-enoic acid (PubChem CID 67427537) has the molecular formula C26H24N4O3 and a molecular weight of 440.50 g/mol. Its IUPAC name is 3-pyridin-2-yl-3-[5-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethoxy]indol-1-yl]prop-2-enoic acid.

Molecular Properties

Compound Name3-pyridin-2-yl-3-[5-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethoxy]indol-1-yl]prop-2-enoic acid
PubChem CID67427537
Molecular FormulaC26H24N4O3
Molecular Weight440.50 g/mol
Exact Mass440.18
IUPAC Name3-pyridin-2-yl-3-[5-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethoxy]indol-1-yl]prop-2-enoic acid
SMILESO=C(O)C=C(c1ccccn1)n1ccc2cc(OCCc3ccc4c(n3)NCCC4)ccc21
InChIInChI=1S/C26H24N4O3/c31-25(32)17-24(22-5-1-2-12-27-22)30-14-10-19-16-21(8-9-23(19)30)33-15-11-20-7-6-18-4-3-13-28-26(18)29-20/h1-2,5-10,12,14,16-17H,3-4,11,13,15H2,(H,28,29)(H,31,32)
InChIKeyQSGSQIMTOUJJQO-UHFFFAOYSA-N
XLogP4.38
TPSA89.27 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.50
LogP ≤ 54.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 3-pyridin-2-yl-3-[5-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethoxy]indol-1-yl]prop-2-enoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl 3-pyridin-2-yl-3-[5-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethoxy]indol-1-yl]prop-2-enoate
CID 66821149
ethyl 6-[5-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethoxy]indol-1-yl]hexanoate
CID 91095666
ethyl 3-pyridin-4-yl-3-[5-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethoxy]indol-1-yl]propanoate
CID 67426707
7-[2-(1H-indazol-5-yloxy)ethyl]-1,2,3,4-tetrahydro-1,8-naphthyridine
CID 134498323
3-[3-deuterio-5-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethoxy]indazol-1-yl]propanoic acid
CID 175756478
3-(5,6,7,8-tetrahydro-1,8-naphthyridin-3-yl)-3-[5-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethoxy]indazol-1-yl]propanoic acid
CID 134500084
(3R)-3-quinoxalin-2-yl-3-[5-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethoxy]indazol-1-yl]propane-1,1-diol
CID 155244351
3-naphthalen-2-yl-3-[5-[2-(5,6,7,8-tetrahydro-1,5-naphthyridin-2-yl)ethoxy]indol-1-yl]propanoic acid
CID 90743454
ethyl (3S)-3-pyridin-2-yl-4-[4-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethoxy]phenyl]butanoate
CID 91046046
3-(1,3-benzothiazol-6-yl)-3-[5-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethoxy]indazol-1-yl]propanoic acid
CID 134500385
3-[5-[(dimethylamino)methyl]-3-pyridinyl]-3-[5-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethoxy]indazol-1-yl]propanoic acid
CID 134498288
2-[2,2-dimethyl-3-[4-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethoxy]phenyl]cyclopropyl]acetic acid
CID 22347519

Frequently Asked Questions

What is the IUPAC name of 3-pyridin-2-yl-3-[5-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethoxy]indol-1-yl]prop-2-enoic acid?
The IUPAC name of 3-pyridin-2-yl-3-[5-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethoxy]indol-1-yl]prop-2-enoic acid (CID 67427537) is 3-pyridin-2-yl-3-[5-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethoxy]indol-1-yl]prop-2-enoic acid.
What is the SMILES notation for 3-pyridin-2-yl-3-[5-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethoxy]indol-1-yl]prop-2-enoic acid?
The canonical SMILES for 3-pyridin-2-yl-3-[5-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethoxy]indol-1-yl]prop-2-enoic acid is O=C(O)C=C(c1ccccn1)n1ccc2cc(OCCc3ccc4c(n3)NCCC4)ccc21.
What is the InChIKey of 3-pyridin-2-yl-3-[5-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethoxy]indol-1-yl]prop-2-enoic acid?
The InChIKey is QSGSQIMTOUJJQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N4O3/c31-25(32)17-24(22-5-1-2-12-27-22)30-14-10-19-16-21(8-9-23(19)30)33-15-11-20-7-6-18-4-3-13-28-26(18)29-20/h1-2,5-10,12,14,16-17H,3-4,11,13,15H2,(H,28,29)(H,31,32).
What are the key properties of 3-pyridin-2-yl-3-[5-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethoxy]indol-1-yl]prop-2-enoic acid?
3-pyridin-2-yl-3-[5-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethoxy]indol-1-yl]prop-2-enoic acid has a molecular weight of 440.50 g/mol, XLogP of 4.38, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pyridin-2-yl-3-[5-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethoxy]indol-1-yl]prop-2-enoic acid is sourced from PubChem (CID 67427537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).