2-[2-methyl-4-(4-methylphenyl)-6-phenyl-7,8-dihydro-5H-1,6-naphthyridin-3-yl]-2-[(2-methylpropan-2-yl)oxy]acetic acid

C28H32N2O3 — CID 71711965

IUPAC2-[2-methyl-4-(4-methylphenyl)-6-phenyl-7,8-dihydro-5H-1,6-naphthyridin-3-yl]-2-[(2-methylpropan-2-yl)oxy]acetic acid
SMILESCc1ccc(-c2c3c(nc(C)c2C(OC(C)(C)C)C(=O)O)CCN(c2ccccc2)C3)cc1
InChIInChI=1S/C28H32N2O3/c1-18-11-13-20(14-12-18)25-22-17-30(21-9-7-6-8-10-21)16-15-23(22)29-19(2)24(25)26(27(31)32)33-28(3,4)5/h6-14,26H,15-17H2,1-5H3,(H,31,32)
InChIKeyQMBRQVVZPKTFRQ-UHFFFAOYSA-N
MW444.58 g/mol
LogP5.87
Rot. Bonds5

About 2-[2-methyl-4-(4-methylphenyl)-6-phenyl-7,8-dihydro-5H-1,6-naphthyridin-3-yl]-2-[(2-methylpropan-2-yl)oxy]acetic acid

2-[2-methyl-4-(4-methylphenyl)-6-phenyl-7,8-dihydro-5H-1,6-naphthyridin-3-yl]-2-[(2-methylpropan-2-yl)oxy]acetic acid (PubChem CID 71711965) has the molecular formula C28H32N2O3 and a molecular weight of 444.58 g/mol. Its IUPAC name is 2-[2-methyl-4-(4-methylphenyl)-6-phenyl-7,8-dihydro-5H-1,6-naphthyridin-3-yl]-2-[(2-methylpropan-2-yl)oxy]acetic acid.

Molecular Properties

Compound Name2-[2-methyl-4-(4-methylphenyl)-6-phenyl-7,8-dihydro-5H-1,6-naphthyridin-3-yl]-2-[(2-methylpropan-2-yl)oxy]acetic acid
PubChem CID71711965
Molecular FormulaC28H32N2O3
Molecular Weight444.58 g/mol
Exact Mass444.24
IUPAC Name2-[2-methyl-4-(4-methylphenyl)-6-phenyl-7,8-dihydro-5H-1,6-naphthyridin-3-yl]-2-[(2-methylpropan-2-yl)oxy]acetic acid
SMILESCc1ccc(-c2c3c(nc(C)c2C(OC(C)(C)C)C(=O)O)CCN(c2ccccc2)C3)cc1
InChIInChI=1S/C28H32N2O3/c1-18-11-13-20(14-12-18)25-22-17-30(21-9-7-6-8-10-21)16-15-23(22)29-19(2)24(25)26(27(31)32)33-28(3,4)5/h6-14,26H,15-17H2,1-5H3,(H,31,32)
InChIKeyQMBRQVVZPKTFRQ-UHFFFAOYSA-N
XLogP5.87
TPSA62.66 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500444.58
LogP ≤ 55.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[2-methyl-4-(4-methylphenyl)-6-phenyl-7,8-dihydro-5H-1,6-naphthyridin-3-yl]-2-[(2-methylpropan-2-yl)oxy]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

(2S)-2-[2-methyl-4-(4-methylphenyl)-6-phenyl-7,8-dihydro-5H-1,6-naphthyridin-3-yl]-2-[(2-methylpropan-2-yl)oxy]acetic acid
CID 155562851
2-[2,6-dimethyl-4-(4-methylphenyl)-7,8-dihydro-5H-1,6-naphthyridin-3-yl]-2-[(2-methylpropan-2-yl)oxy]acetic acid
CID 71711821
2-[6-benzyl-2-methyl-4-(4-methylphenyl)-7,8-dihydro-5H-1,6-naphthyridin-3-yl]-2-[(2-methylpropan-2-yl)oxy]acetic acid
CID 71711819
2-[2-methyl-4-(4-methylphenyl)-6-(4-phenylbutanoyl)-7,8-dihydro-5H-1,6-naphthyridin-3-yl]-2-[(2-methylpropan-2-yl)oxy]acetic acid
CID 123334191
(2S)-2-[6-[2-(1H-indol-3-yl)ethyl]-2-methyl-4-(4-methylphenyl)-7,8-dihydro-5H-1,6-naphthyridin-3-yl]-2-[(2-methylpropan-2-yl)oxy]acetic acid
CID 71712167
2-[6-methyl-4-(4-methylphenyl)-1-phenylpyrrolo[2,3-b]pyridin-5-yl]-2-[(2-methylpropan-2-yl)oxy]acetic acid
CID 71209266
2-[5-bromo-2,6-dimethyl-4-(4-methylphenyl)-3-pyridinyl]-2-[(2-methylpropan-2-yl)oxy]acetic acid
CID 126601977
(2S)-2-[1-cyclopropyl-6-methyl-4-(4-methylphenyl)pyrrolo[2,3-b]pyridin-5-yl]-2-[(2-methylpropan-2-yl)oxy]acetic acid
CID 71209193
2-[4-(4-fluorophenyl)-8,8-dimethyl-6-(4-phenylphenyl)-2-propan-2-yl-5,7-dihydro-1,6-naphthyridin-3-yl]-2-[(2-methylpropan-2-yl)oxy]acetic acid
CID 71711817
2-[5-[2-[(2-fluoro-6-methylphenyl)methyl]-3,4-dihydro-1H-isoquinolin-6-yl]-2,6-dimethyl-4-(4-methylphenyl)-3-pyridinyl]-2-[(2-methylpropan-2-yl)oxy]acetic acid
CID 135285863
2-[1,6-dimethyl-4-(4-methylphenyl)-2,3-dihydroindol-5-yl]-2-[(2-methylpropan-2-yl)oxy]acetic acid
CID 134221627
(2S)-2-[1-(2-fluorobenzoyl)-6-methyl-4-(4-methylphenyl)-2,3-dihydroindol-5-yl]-2-[(2-methylpropan-2-yl)oxy]acetic acid
CID 134221874

Frequently Asked Questions

What is the IUPAC name of 2-[2-methyl-4-(4-methylphenyl)-6-phenyl-7,8-dihydro-5H-1,6-naphthyridin-3-yl]-2-[(2-methylpropan-2-yl)oxy]acetic acid?
The IUPAC name of 2-[2-methyl-4-(4-methylphenyl)-6-phenyl-7,8-dihydro-5H-1,6-naphthyridin-3-yl]-2-[(2-methylpropan-2-yl)oxy]acetic acid (CID 71711965) is 2-[2-methyl-4-(4-methylphenyl)-6-phenyl-7,8-dihydro-5H-1,6-naphthyridin-3-yl]-2-[(2-methylpropan-2-yl)oxy]acetic acid.
What is the SMILES notation for 2-[2-methyl-4-(4-methylphenyl)-6-phenyl-7,8-dihydro-5H-1,6-naphthyridin-3-yl]-2-[(2-methylpropan-2-yl)oxy]acetic acid?
The canonical SMILES for 2-[2-methyl-4-(4-methylphenyl)-6-phenyl-7,8-dihydro-5H-1,6-naphthyridin-3-yl]-2-[(2-methylpropan-2-yl)oxy]acetic acid is Cc1ccc(-c2c3c(nc(C)c2C(OC(C)(C)C)C(=O)O)CCN(c2ccccc2)C3)cc1.
What is the InChIKey of 2-[2-methyl-4-(4-methylphenyl)-6-phenyl-7,8-dihydro-5H-1,6-naphthyridin-3-yl]-2-[(2-methylpropan-2-yl)oxy]acetic acid?
The InChIKey is QMBRQVVZPKTFRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32N2O3/c1-18-11-13-20(14-12-18)25-22-17-30(21-9-7-6-8-10-21)16-15-23(22)29-19(2)24(25)26(27(31)32)33-28(3,4)5/h6-14,26H,15-17H2,1-5H3,(H,31,32).
What are the key properties of 2-[2-methyl-4-(4-methylphenyl)-6-phenyl-7,8-dihydro-5H-1,6-naphthyridin-3-yl]-2-[(2-methylpropan-2-yl)oxy]acetic acid?
2-[2-methyl-4-(4-methylphenyl)-6-phenyl-7,8-dihydro-5H-1,6-naphthyridin-3-yl]-2-[(2-methylpropan-2-yl)oxy]acetic acid has a molecular weight of 444.58 g/mol, XLogP of 5.87, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-methyl-4-(4-methylphenyl)-6-phenyl-7,8-dihydro-5H-1,6-naphthyridin-3-yl]-2-[(2-methylpropan-2-yl)oxy]acetic acid is sourced from PubChem (CID 71711965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).