3-[2-[3-fluoro-5-(5-fluoro-2-methoxy-4-pyridinyl)-2-pyridinyl]-3,4-dihydro-2H-chromen-7-yl]-2-methylpropanoic acid

C24H22F2N2O4 — CID 144688790

IUPAC3-[2-[3-fluoro-5-(5-fluoro-2-methoxy-4-pyridinyl)-2-pyridinyl]-3,4-dihydro-2H-chromen-7-yl]-2-methylpropanoic acid
SMILESCOc1cc(-c2cnc(C3CCc4ccc(CC(C)C(=O)O)cc4O3)c(F)c2)c(F)cn1
InChIInChI=1S/C24H22F2N2O4/c1-13(24(29)30)7-14-3-4-15-5-6-20(32-21(15)8-14)23-18(25)9-16(11-28-23)17-10-22(31-2)27-12-19(17)26/h3-4,8-13,20H,5-7H2,1-2H3,(H,29,30)
InChIKeyZUHKRRDOUOZVBY-UHFFFAOYSA-N
MW440.45 g/mol
LogP4.76
Rot. Bonds6

About 3-[2-[3-fluoro-5-(5-fluoro-2-methoxy-4-pyridinyl)-2-pyridinyl]-3,4-dihydro-2H-chromen-7-yl]-2-methylpropanoic acid

3-[2-[3-fluoro-5-(5-fluoro-2-methoxy-4-pyridinyl)-2-pyridinyl]-3,4-dihydro-2H-chromen-7-yl]-2-methylpropanoic acid (PubChem CID 144688790) has the molecular formula C24H22F2N2O4 and a molecular weight of 440.45 g/mol. Its IUPAC name is 3-[2-[3-fluoro-5-(5-fluoro-2-methoxy-4-pyridinyl)-2-pyridinyl]-3,4-dihydro-2H-chromen-7-yl]-2-methylpropanoic acid.

Molecular Properties

Compound Name3-[2-[3-fluoro-5-(5-fluoro-2-methoxy-4-pyridinyl)-2-pyridinyl]-3,4-dihydro-2H-chromen-7-yl]-2-methylpropanoic acid
PubChem CID144688790
Molecular FormulaC24H22F2N2O4
Molecular Weight440.45 g/mol
Exact Mass440.15
IUPAC Name3-[2-[3-fluoro-5-(5-fluoro-2-methoxy-4-pyridinyl)-2-pyridinyl]-3,4-dihydro-2H-chromen-7-yl]-2-methylpropanoic acid
SMILESCOc1cc(-c2cnc(C3CCc4ccc(CC(C)C(=O)O)cc4O3)c(F)c2)c(F)cn1
InChIInChI=1S/C24H22F2N2O4/c1-13(24(29)30)7-14-3-4-15-5-6-20(32-21(15)8-14)23-18(25)9-16(11-28-23)17-10-22(31-2)27-12-19(17)26/h3-4,8-13,20H,5-7H2,1-2H3,(H,29,30)
InChIKeyZUHKRRDOUOZVBY-UHFFFAOYSA-N
XLogP4.76
TPSA81.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.45
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[2-[3-[[tert-butyl(methyl)amino]methyl]-4-(5-fluoro-2-methoxy-4-pyridinyl)phenyl]-3,4-dihydro-2H-chromen-7-yl]-2-methylpropanoic acid
CID 145016100
cyclopropane;3-[2-[4-(diethylaminomethyl)-5-(5-fluoro-2-methoxy-4-pyridinyl)-2-pyridinyl]-3,4-dihydro-2H-chromen-7-yl]-2-methylpropanoic acid
CID 145016191
cyclopropane;3-[2-[5-[2-(2,2-difluoroethoxy)-5-fluoro-4-pyridinyl]-3-methylpyrazin-2-yl]-3,4-dihydro-2H-chromen-7-yl]-2-methylpropanoic acid
CID 142593693
(2S)-3-[2-[4-(5-fluoro-2-methoxy-4-pyridinyl)-3-(piperidin-1-ylmethyl)phenyl]-3,4-dihydro-2H-chromen-7-yl]-2-methylpropanoic acid
CID 166978285
cyclopropane;ethane;3-[2-[4-(5-fluoro-2-methoxy-4-pyridinyl)-3-(1-pyrrolidin-1-ylethyl)phenyl]-3,4-dihydro-2H-chromen-7-yl]-2-methylpropanoic acid
CID 145015985
3-[2-[2-[(2,2-dimethylpiperidin-1-yl)methyl]-4-(5-fluoro-2-methoxy-4-pyridinyl)phenyl]-3,4-dihydro-2H-chromen-7-yl]-2-methylpropanoic acid
CID 166978138
3-[(2S)-2-[4-(5-fluoro-2-methoxy-4-pyridinyl)-3-[(2,2,6,6-tetramethylpiperidin-1-yl)methyl]phenyl]-3,4-dihydro-2H-chromen-7-yl]-2-methylpropanoic acid
CID 166978382
cyclopropane;3-[2-[5-(2-ethoxy-5-fluoro-4-pyridinyl)-6-methylpyrazin-2-yl]-3,4-dihydro-2H-chromen-7-yl]-2-methylpropanoic acid
CID 142593605
3-[2-[4-(5-fluoro-2-methoxy-4-pyridinyl)-3-(4-oxa-7-azaspiro[2.5]octan-7-ylmethyl)phenyl]-3,4-dihydro-2H-chromen-7-yl]-2-methylpropanoic acid
CID 145016011
3-[2-[5-(5-chloro-2-methoxy-4-pyridinyl)-6-methylpyrazin-2-yl]-3,4-dihydro-2H-chromen-7-yl]-2-methylpropanoic acid;cyclopropane
CID 142593690
3-[2-[4-(5-cyano-2-methoxy-4-pyridinyl)-3-[[ethyl(methyl)amino]methyl]phenyl]-3,4-dihydro-2H-chromen-7-yl]-2-methylpropanoic acid;cyclopropane
CID 145015917
acetylene;cyclopropane;(2S)-3-[2-[5-(diethylaminomethyl)-2-fluoro-4-(2-methoxy-4-pyridinyl)phenyl]-3,4-dihydro-2H-chromen-7-yl]-2-methylpropanoic acid
CID 145016038

Frequently Asked Questions

What is the IUPAC name of 3-[2-[3-fluoro-5-(5-fluoro-2-methoxy-4-pyridinyl)-2-pyridinyl]-3,4-dihydro-2H-chromen-7-yl]-2-methylpropanoic acid?
The IUPAC name of 3-[2-[3-fluoro-5-(5-fluoro-2-methoxy-4-pyridinyl)-2-pyridinyl]-3,4-dihydro-2H-chromen-7-yl]-2-methylpropanoic acid (CID 144688790) is 3-[2-[3-fluoro-5-(5-fluoro-2-methoxy-4-pyridinyl)-2-pyridinyl]-3,4-dihydro-2H-chromen-7-yl]-2-methylpropanoic acid.
What is the SMILES notation for 3-[2-[3-fluoro-5-(5-fluoro-2-methoxy-4-pyridinyl)-2-pyridinyl]-3,4-dihydro-2H-chromen-7-yl]-2-methylpropanoic acid?
The canonical SMILES for 3-[2-[3-fluoro-5-(5-fluoro-2-methoxy-4-pyridinyl)-2-pyridinyl]-3,4-dihydro-2H-chromen-7-yl]-2-methylpropanoic acid is COc1cc(-c2cnc(C3CCc4ccc(CC(C)C(=O)O)cc4O3)c(F)c2)c(F)cn1.
What is the InChIKey of 3-[2-[3-fluoro-5-(5-fluoro-2-methoxy-4-pyridinyl)-2-pyridinyl]-3,4-dihydro-2H-chromen-7-yl]-2-methylpropanoic acid?
The InChIKey is ZUHKRRDOUOZVBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22F2N2O4/c1-13(24(29)30)7-14-3-4-15-5-6-20(32-21(15)8-14)23-18(25)9-16(11-28-23)17-10-22(31-2)27-12-19(17)26/h3-4,8-13,20H,5-7H2,1-2H3,(H,29,30).
What are the key properties of 3-[2-[3-fluoro-5-(5-fluoro-2-methoxy-4-pyridinyl)-2-pyridinyl]-3,4-dihydro-2H-chromen-7-yl]-2-methylpropanoic acid?
3-[2-[3-fluoro-5-(5-fluoro-2-methoxy-4-pyridinyl)-2-pyridinyl]-3,4-dihydro-2H-chromen-7-yl]-2-methylpropanoic acid has a molecular weight of 440.45 g/mol, XLogP of 4.76, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[3-fluoro-5-(5-fluoro-2-methoxy-4-pyridinyl)-2-pyridinyl]-3,4-dihydro-2H-chromen-7-yl]-2-methylpropanoic acid is sourced from PubChem (CID 144688790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).