2-[1-pyridin-3-yl-2-[4-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethoxy]phenyl]cyclopropyl]acetic acid

C26H27N3O3 — CID 10274234

About 2-[1-pyridin-3-yl-2-[4-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethoxy]phenyl]cyclopropyl]acetic acid

2-[1-pyridin-3-yl-2-[4-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethoxy]phenyl]cyclopropyl]acetic acid (PubChem CID 10274234) has the molecular formula C26H27N3O3 and a molecular weight of 429.52 g/mol. Its IUPAC name is 2-[1-pyridin-3-yl-2-[4-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethoxy]phenyl]cyclopropyl]acetic acid.

Molecular Properties

• Compound Name: 2-[1-pyridin-3-yl-2-[4-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethoxy]phenyl]cyclopropyl]acetic acid
• PubChem CID: 10274234
• Molecular Formula: C26H27N3O3
• Molecular Weight: 429.52 g/mol
• Exact Mass: 429.21
• IUPAC Name: 2-[1-pyridin-3-yl-2-[4-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethoxy]phenyl]cyclopropyl]acetic acid
• SMILES: O=C(O)CC1(c2cccnc2)CC1c1ccc(OCCc2ccc3c(n2)NCCC3)cc1
• InChI: InChI=1S/C26H27N3O3/c30-24(31)16-26(20-4-2-12-27-17-20)15-23(26)18-6-9-22(10-7-18)32-14-11-21-8-5-19-3-1-13-28-25(19)29-21/h2,4-10,12,17,23H,1,3,11,13-16H2,(H,28,29)(H,30,31)
• InChIKey: FTRCZTPKDKXODY-UHFFFAOYSA-N
• XLogP: 4.36
• TPSA: 84.34 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	429.52
LogP ≤ 5	4.36
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2-[1-pyridin-3-yl-2-[4-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethoxy]phenyl]cyclopropyl]acetic acid?

The IUPAC name of 2-[1-pyridin-3-yl-2-[4-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethoxy]phenyl]cyclopropyl]acetic acid (CID 10274234) is 2-[1-pyridin-3-yl-2-[4-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethoxy]phenyl]cyclopropyl]acetic acid.

What is the SMILES notation for 2-[1-pyridin-3-yl-2-[4-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethoxy]phenyl]cyclopropyl]acetic acid?

The canonical SMILES for 2-[1-pyridin-3-yl-2-[4-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethoxy]phenyl]cyclopropyl]acetic acid is O=C(O)CC1(c2cccnc2)CC1c1ccc(OCCc2ccc3c(n2)NCCC3)cc1.

What is the InChIKey of 2-[1-pyridin-3-yl-2-[4-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethoxy]phenyl]cyclopropyl]acetic acid?

The InChIKey is FTRCZTPKDKXODY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N3O3/c30-24(31)16-26(20-4-2-12-27-17-20)15-23(26)18-6-9-22(10-7-18)32-14-11-21-8-5-19-3-1-13-28-25(19)29-21/h2,4-10,12,17,23H,1,3,11,13-16H2,(H,28,29)(H,30,31).

What are the key properties of 2-[1-pyridin-3-yl-2-[4-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethoxy]phenyl]cyclopropyl]acetic acid?

2-[1-pyridin-3-yl-2-[4-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethoxy]phenyl]cyclopropyl]acetic acid has a molecular weight of 429.52 g/mol, XLogP of 4.36, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[1-pyridin-3-yl-2-[4-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethoxy]phenyl]cyclopropyl]acetic acid is sourced from PubChem (CID 10274234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).