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

C23H28N2O3 — CID 22347519

IUPAC2-[2,2-dimethyl-3-[4-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethoxy]phenyl]cyclopropyl]acetic acid
SMILESCC1(C)C(CC(=O)O)C1c1ccc(OCCc2ccc3c(n2)NCCC3)cc1
InChIInChI=1S/C23H28N2O3/c1-23(2)19(14-20(26)27)21(23)15-6-9-18(10-7-15)28-13-11-17-8-5-16-4-3-12-24-22(16)25-17/h5-10,19,21H,3-4,11-14H2,1-2H3,(H,24,25)(H,26,27)
InChIKeyFPSTULSQRYACMJ-UHFFFAOYSA-N
MW380.49 g/mol
LogP4.28
Rot. Bonds7

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

2-[2,2-dimethyl-3-[4-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethoxy]phenyl]cyclopropyl]acetic acid (PubChem CID 22347519) has the molecular formula C23H28N2O3 and a molecular weight of 380.49 g/mol. Its IUPAC name is 2-[2,2-dimethyl-3-[4-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethoxy]phenyl]cyclopropyl]acetic acid.

Molecular Properties

Compound Name2-[2,2-dimethyl-3-[4-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethoxy]phenyl]cyclopropyl]acetic acid
PubChem CID22347519
Molecular FormulaC23H28N2O3
Molecular Weight380.49 g/mol
Exact Mass380.21
IUPAC Name2-[2,2-dimethyl-3-[4-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethoxy]phenyl]cyclopropyl]acetic acid
SMILESCC1(C)C(CC(=O)O)C1c1ccc(OCCc2ccc3c(n2)NCCC3)cc1
InChIInChI=1S/C23H28N2O3/c1-23(2)19(14-20(26)27)21(23)15-6-9-18(10-7-15)28-13-11-17-8-5-16-4-3-12-24-22(16)25-17/h5-10,19,21H,3-4,11-14H2,1-2H3,(H,24,25)(H,26,27)
InChIKeyFPSTULSQRYACMJ-UHFFFAOYSA-N
XLogP4.28
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.49
LogP ≤ 54.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

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
3-[2-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-ylmethoxy)phenyl]cyclopropyl]propanoic acid
CID 22347498
2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)acetic acid
CID 22570252
2-[2-[3-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethoxy]phenyl]cyclopropyl]acetate
CID 22347616
4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butanoic acid;trihydrochloride
CID 169448886
2-[4-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propoxy]phenyl]ethanesulfinic acid
CID 134341743
2-[2-[4-[2-(5,6,7,8-tetrahydro-1,5-naphthyridin-2-yl)ethoxy]phenyl]cyclopropyl]acetic acid
CID 90807928
3-[3-deuterio-5-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethoxy]indazol-1-yl]propanoic acid
CID 175756478
7-[2-(1H-indazol-5-yloxy)ethyl]-1,2,3,4-tetrahydro-1,8-naphthyridine
CID 134498323
2-[2-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-ylmethoxy)phenyl]cyclopropyl]acetic acid
CID 22347663
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
ethyl (3S)-3-pyridin-2-yl-4-[4-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethoxy]phenyl]butanoate
CID 91046046

Frequently Asked Questions

What is the IUPAC name of 2-[2,2-dimethyl-3-[4-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethoxy]phenyl]cyclopropyl]acetic acid?
The IUPAC name of 2-[2,2-dimethyl-3-[4-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethoxy]phenyl]cyclopropyl]acetic acid (CID 22347519) is 2-[2,2-dimethyl-3-[4-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethoxy]phenyl]cyclopropyl]acetic acid.
What is the SMILES notation for 2-[2,2-dimethyl-3-[4-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethoxy]phenyl]cyclopropyl]acetic acid?
The canonical SMILES for 2-[2,2-dimethyl-3-[4-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethoxy]phenyl]cyclopropyl]acetic acid is CC1(C)C(CC(=O)O)C1c1ccc(OCCc2ccc3c(n2)NCCC3)cc1.
What is the InChIKey of 2-[2,2-dimethyl-3-[4-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethoxy]phenyl]cyclopropyl]acetic acid?
The InChIKey is FPSTULSQRYACMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O3/c1-23(2)19(14-20(26)27)21(23)15-6-9-18(10-7-15)28-13-11-17-8-5-16-4-3-12-24-22(16)25-17/h5-10,19,21H,3-4,11-14H2,1-2H3,(H,24,25)(H,26,27).
What are the key properties of 2-[2,2-dimethyl-3-[4-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethoxy]phenyl]cyclopropyl]acetic acid?
2-[2,2-dimethyl-3-[4-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethoxy]phenyl]cyclopropyl]acetic acid has a molecular weight of 380.49 g/mol, XLogP of 4.28, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,2-dimethyl-3-[4-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethoxy]phenyl]cyclopropyl]acetic acid is sourced from PubChem (CID 22347519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).