3-(2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-7-yl)-3-[5-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethoxy]indazol-1-yl]propanoic acid

C27H27N5O5 — CID 134500142

IUPAC3-(2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-7-yl)-3-[5-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethoxy]indazol-1-yl]propanoic acid
SMILESO=C(O)CC(c1cnc2c(c1)OCCO2)n1ncc2cc(OCCc3ccc4c(n3)NCCC4)ccc21
InChIInChI=1S/C27H27N5O5/c33-25(34)14-23(19-13-24-27(29-15-19)37-11-10-36-24)32-22-6-5-21(12-18(22)16-30-32)35-9-7-20-4-3-17-2-1-8-28-26(17)31-20/h3-6,12-13,15-16,23H,1-2,7-11,14H2,(H,28,31)(H,33,34)
InChIKeyAOSSXYXMTMOYKU-UHFFFAOYSA-N
MW501.54 g/mol
LogP3.64
Rot. Bonds8

About 3-(2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-7-yl)-3-[5-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethoxy]indazol-1-yl]propanoic acid

3-(2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-7-yl)-3-[5-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethoxy]indazol-1-yl]propanoic acid (PubChem CID 134500142) has the molecular formula C27H27N5O5 and a molecular weight of 501.54 g/mol. Its IUPAC name is 3-(2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-7-yl)-3-[5-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethoxy]indazol-1-yl]propanoic acid.

Molecular Properties

Compound Name3-(2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-7-yl)-3-[5-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethoxy]indazol-1-yl]propanoic acid
PubChem CID134500142
Molecular FormulaC27H27N5O5
Molecular Weight501.54 g/mol
Exact Mass501.20
IUPAC Name3-(2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-7-yl)-3-[5-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethoxy]indazol-1-yl]propanoic acid
SMILESO=C(O)CC(c1cnc2c(c1)OCCO2)n1ncc2cc(OCCc3ccc4c(n3)NCCC4)ccc21
InChIInChI=1S/C27H27N5O5/c33-25(34)14-23(19-13-24-27(29-15-19)37-11-10-36-24)32-22-6-5-21(12-18(22)16-30-32)35-9-7-20-4-3-17-2-1-8-28-26(17)31-20/h3-6,12-13,15-16,23H,1-2,7-11,14H2,(H,28,31)(H,33,34)
InChIKeyAOSSXYXMTMOYKU-UHFFFAOYSA-N
XLogP3.64
TPSA120.62 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500501.54
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 3-(2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-7-yl)-3-[5-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethoxy]indazol-1-yl]propanoic acid with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-7-yl)-3-[5-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethoxy]indazol-1-yl]propanoic acid?
The IUPAC name of 3-(2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-7-yl)-3-[5-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethoxy]indazol-1-yl]propanoic acid (CID 134500142) is 3-(2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-7-yl)-3-[5-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethoxy]indazol-1-yl]propanoic acid.
What is the SMILES notation for 3-(2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-7-yl)-3-[5-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethoxy]indazol-1-yl]propanoic acid?
The canonical SMILES for 3-(2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-7-yl)-3-[5-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethoxy]indazol-1-yl]propanoic acid is O=C(O)CC(c1cnc2c(c1)OCCO2)n1ncc2cc(OCCc3ccc4c(n3)NCCC4)ccc21.
What is the InChIKey of 3-(2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-7-yl)-3-[5-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethoxy]indazol-1-yl]propanoic acid?
The InChIKey is AOSSXYXMTMOYKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27N5O5/c33-25(34)14-23(19-13-24-27(29-15-19)37-11-10-36-24)32-22-6-5-21(12-18(22)16-30-32)35-9-7-20-4-3-17-2-1-8-28-26(17)31-20/h3-6,12-13,15-16,23H,1-2,7-11,14H2,(H,28,31)(H,33,34).
What are the key properties of 3-(2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-7-yl)-3-[5-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethoxy]indazol-1-yl]propanoic acid?
3-(2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-7-yl)-3-[5-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethoxy]indazol-1-yl]propanoic acid has a molecular weight of 501.54 g/mol, XLogP of 3.64, 8 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-7-yl)-3-[5-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethoxy]indazol-1-yl]propanoic acid is sourced from PubChem (CID 134500142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).