3-[(2R)-6-(6-cyclobutyloxy-3-fluoro-4-methoxy-2-pyridinyl)-3,4-dihydro-2H-chromen-2-yl]propanoic acid

C22H24FNO5 — CID 134155067

IUPAC3-[(2R)-6-(6-cyclobutyloxy-3-fluoro-4-methoxy-2-pyridinyl)-3,4-dihydro-2H-chromen-2-yl]propanoic acid
SMILESCOc1cc(OC2CCC2)nc(-c2ccc3c(c2)CC[C@H](CCC(=O)O)O3)c1F
InChIInChI=1S/C22H24FNO5/c1-27-18-12-19(29-15-3-2-4-15)24-22(21(18)23)14-6-9-17-13(11-14)5-7-16(28-17)8-10-20(25)26/h6,9,11-12,15-16H,2-5,7-8,10H2,1H3,(H,25,26)/t16-/m1/s1
InChIKeyWEVAGPPINDHSPL-MRXNPFEDSA-N
MW401.43 g/mol
LogP4.39
Rot. Bonds7

About 3-[(2R)-6-(6-cyclobutyloxy-3-fluoro-4-methoxy-2-pyridinyl)-3,4-dihydro-2H-chromen-2-yl]propanoic acid

3-[(2R)-6-(6-cyclobutyloxy-3-fluoro-4-methoxy-2-pyridinyl)-3,4-dihydro-2H-chromen-2-yl]propanoic acid (PubChem CID 134155067) has the molecular formula C22H24FNO5 and a molecular weight of 401.43 g/mol. Its IUPAC name is 3-[(2R)-6-(6-cyclobutyloxy-3-fluoro-4-methoxy-2-pyridinyl)-3,4-dihydro-2H-chromen-2-yl]propanoic acid.

Molecular Properties

Compound Name3-[(2R)-6-(6-cyclobutyloxy-3-fluoro-4-methoxy-2-pyridinyl)-3,4-dihydro-2H-chromen-2-yl]propanoic acid
PubChem CID134155067
Molecular FormulaC22H24FNO5
Molecular Weight401.43 g/mol
Exact Mass401.16
IUPAC Name3-[(2R)-6-(6-cyclobutyloxy-3-fluoro-4-methoxy-2-pyridinyl)-3,4-dihydro-2H-chromen-2-yl]propanoic acid
SMILESCOc1cc(OC2CCC2)nc(-c2ccc3c(c2)CC[C@H](CCC(=O)O)O3)c1F
InChIInChI=1S/C22H24FNO5/c1-27-18-12-19(29-15-3-2-4-15)24-22(21(18)23)14-6-9-17-13(11-14)5-7-16(28-17)8-10-20(25)26/h6,9,11-12,15-16H,2-5,7-8,10H2,1H3,(H,25,26)/t16-/m1/s1
InChIKeyWEVAGPPINDHSPL-MRXNPFEDSA-N
XLogP4.39
TPSA77.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.43
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-[(2R)-6-(6-cyclobutyloxy-3-fluoro-4-methoxy-2-pyridinyl)-3,4-dihydro-2H-chromen-2-yl]propanoic acid with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[(2R)-6-(6-cyclobutyloxy-3-fluoro-4-methoxy-2-pyridinyl)-3,4-dihydro-2H-chromen-2-yl]propanoic acid?
The IUPAC name of 3-[(2R)-6-(6-cyclobutyloxy-3-fluoro-4-methoxy-2-pyridinyl)-3,4-dihydro-2H-chromen-2-yl]propanoic acid (CID 134155067) is 3-[(2R)-6-(6-cyclobutyloxy-3-fluoro-4-methoxy-2-pyridinyl)-3,4-dihydro-2H-chromen-2-yl]propanoic acid.
What is the SMILES notation for 3-[(2R)-6-(6-cyclobutyloxy-3-fluoro-4-methoxy-2-pyridinyl)-3,4-dihydro-2H-chromen-2-yl]propanoic acid?
The canonical SMILES for 3-[(2R)-6-(6-cyclobutyloxy-3-fluoro-4-methoxy-2-pyridinyl)-3,4-dihydro-2H-chromen-2-yl]propanoic acid is COc1cc(OC2CCC2)nc(-c2ccc3c(c2)CC[C@H](CCC(=O)O)O3)c1F.
What is the InChIKey of 3-[(2R)-6-(6-cyclobutyloxy-3-fluoro-4-methoxy-2-pyridinyl)-3,4-dihydro-2H-chromen-2-yl]propanoic acid?
The InChIKey is WEVAGPPINDHSPL-MRXNPFEDSA-N. The full InChI is InChI=1S/C22H24FNO5/c1-27-18-12-19(29-15-3-2-4-15)24-22(21(18)23)14-6-9-17-13(11-14)5-7-16(28-17)8-10-20(25)26/h6,9,11-12,15-16H,2-5,7-8,10H2,1H3,(H,25,26)/t16-/m1/s1.
What are the key properties of 3-[(2R)-6-(6-cyclobutyloxy-3-fluoro-4-methoxy-2-pyridinyl)-3,4-dihydro-2H-chromen-2-yl]propanoic acid?
3-[(2R)-6-(6-cyclobutyloxy-3-fluoro-4-methoxy-2-pyridinyl)-3,4-dihydro-2H-chromen-2-yl]propanoic acid has a molecular weight of 401.43 g/mol, XLogP of 4.39, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2R)-6-(6-cyclobutyloxy-3-fluoro-4-methoxy-2-pyridinyl)-3,4-dihydro-2H-chromen-2-yl]propanoic acid is sourced from PubChem (CID 134155067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).