5-cyclopropyl-2-[[4-(3-cyclopropyloxyphenyl)-2,6-difluorophenyl]methyl]pyridine-3-carboxylic acid;5-cyclopropyl-2-[[2,6-difluoro-4-[3-(trifluoromethoxy)phenyl]phenyl]methyl]pyridine-3-carboxylic acid;2-[[4-(3-cyclopropyloxyphenyl)-2,6-difluorophenyl]methyl]pyridine-3-carboxylic acid;2-[(2,6-difluoro-3-methyl-4-phenylphenyl)methyl]pyridine-3-carboxylic acid

C90H69F11N4O11 — CID 167564976

IUPAC5-cyclopropyl-2-[[4-(3-cyclopropyloxyphenyl)-2,6-difluorophenyl]methyl]pyridine-3-carboxylic acid;5-cyclopropyl-2-[[2,6-difluoro-4-[3-(trifluoromethoxy)phenyl]phenyl]methyl]pyridine-3-carboxylic acid;2-[[4-(3-cyclopropyloxyphenyl)-2,6-difluorophenyl]methyl]pyridine-3-carboxylic acid;2-[(2,6-difluoro-3-methyl-4-phenylphenyl)methyl]pyridine-3-carboxylic acid
SMILESCc1c(-c2ccccc2)cc(F)c(Cc2ncccc2C(=O)O)c1F.O=C(O)c1cc(C2CC2)cnc1Cc1c(F)cc(-c2cccc(OC(F)(F)F)c2)cc1F.O=C(O)c1cc(C2CC2)cnc1Cc1c(F)cc(-c2cccc(OC3CC3)c2)cc1F.O=C(O)c1cccnc1Cc1c(F)cc(-c2cccc(OC3CC3)c2)cc1F
InChIInChI=1S/C25H21F2NO3.C23H16F5NO3.C22H17F2NO3.C20H15F2NO2/c26-22-10-16(15-2-1-3-19(8-15)31-18-6-7-18)11-23(27)20(22)12-24-21(25(29)30)9-17(13-28-24)14-4-5-14;24-19-8-14(13-2-1-3-16(6-13)32-23(26,27)28)9-20(25)17(19)10-21-18(22(30)31)7-15(11-29-21)12-4-5-12;23-19-10-14(13-3-1-4-16(9-13)28-15-6-7-15)11-20(24)18(19)12-21-17(22(26)27)5-2-8-25-21;1-12-15(13-6-3-2-4-7-13)10-17(21)16(19(12)22)11-18-14(20(24)25)8-5-9-23-18/h1-3,8-11,13-14,18H,4-7,12H2,(H,29,30);1-3,6-9,11-12H,4-5,10H2,(H,30,31);1-5,8-11,15H,6-7,12H2,(H,26,27);2-10H,11H2,1H3,(H,24,25)
InChIKeyFDRNHLZLOQWFJO-UHFFFAOYSA-N
MW1591.54 g/mol
LogP21.31
Rot. Bonds23

About 5-cyclopropyl-2-[[4-(3-cyclopropyloxyphenyl)-2,6-difluorophenyl]methyl]pyridine-3-carboxylic acid;5-cyclopropyl-2-[[2,6-difluoro-4-[3-(trifluoromethoxy)phenyl]phenyl]methyl]pyridine-3-carboxylic acid;2-[[4-(3-cyclopropyloxyphenyl)-2,6-difluorophenyl]methyl]pyridine-3-carboxylic acid;2-[(2,6-difluoro-3-methyl-4-phenylphenyl)methyl]pyridine-3-carboxylic acid

5-cyclopropyl-2-[[4-(3-cyclopropyloxyphenyl)-2,6-difluorophenyl]methyl]pyridine-3-carboxylic acid;5-cyclopropyl-2-[[2,6-difluoro-4-[3-(trifluoromethoxy)phenyl]phenyl]methyl]pyridine-3-carboxylic acid;2-[[4-(3-cyclopropyloxyphenyl)-2,6-difluorophenyl]methyl]pyridine-3-carboxylic acid;2-[(2,6-difluoro-3-methyl-4-phenylphenyl)methyl]pyridine-3-carboxylic acid (PubChem CID 167564976) has the molecular formula C90H69F11N4O11 and a molecular weight of 1591.54 g/mol. Its IUPAC name is 5-cyclopropyl-2-[[4-(3-cyclopropyloxyphenyl)-2,6-difluorophenyl]methyl]pyridine-3-carboxylic acid;5-cyclopropyl-2-[[2,6-difluoro-4-[3-(trifluoromethoxy)phenyl]phenyl]methyl]pyridine-3-carboxylic acid;2-[[4-(3-cyclopropyloxyphenyl)-2,6-difluorophenyl]methyl]pyridine-3-carboxylic acid;2-[(2,6-difluoro-3-methyl-4-phenylphenyl)methyl]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-cyclopropyl-2-[[4-(3-cyclopropyloxyphenyl)-2,6-difluorophenyl]methyl]pyridine-3-carboxylic acid;5-cyclopropyl-2-[[2,6-difluoro-4-[3-(trifluoromethoxy)phenyl]phenyl]methyl]pyridine-3-carboxylic acid;2-[[4-(3-cyclopropyloxyphenyl)-2,6-difluorophenyl]methyl]pyridine-3-carboxylic acid;2-[(2,6-difluoro-3-methyl-4-phenylphenyl)methyl]pyridine-3-carboxylic acid
PubChem CID167564976
Molecular FormulaC90H69F11N4O11
Molecular Weight1591.54 g/mol
Exact Mass1590.48
IUPAC Name5-cyclopropyl-2-[[4-(3-cyclopropyloxyphenyl)-2,6-difluorophenyl]methyl]pyridine-3-carboxylic acid;5-cyclopropyl-2-[[2,6-difluoro-4-[3-(trifluoromethoxy)phenyl]phenyl]methyl]pyridine-3-carboxylic acid;2-[[4-(3-cyclopropyloxyphenyl)-2,6-difluorophenyl]methyl]pyridine-3-carboxylic acid;2-[(2,6-difluoro-3-methyl-4-phenylphenyl)methyl]pyridine-3-carboxylic acid
SMILESCc1c(-c2ccccc2)cc(F)c(Cc2ncccc2C(=O)O)c1F.O=C(O)c1cc(C2CC2)cnc1Cc1c(F)cc(-c2cccc(OC(F)(F)F)c2)cc1F.O=C(O)c1cc(C2CC2)cnc1Cc1c(F)cc(-c2cccc(OC3CC3)c2)cc1F.O=C(O)c1cccnc1Cc1c(F)cc(-c2cccc(OC3CC3)c2)cc1F
InChIInChI=1S/C25H21F2NO3.C23H16F5NO3.C22H17F2NO3.C20H15F2NO2/c26-22-10-16(15-2-1-3-19(8-15)31-18-6-7-18)11-23(27)20(22)12-24-21(25(29)30)9-17(13-28-24)14-4-5-14;24-19-8-14(13-2-1-3-16(6-13)32-23(26,27)28)9-20(25)17(19)10-21-18(22(30)31)7-15(11-29-21)12-4-5-12;23-19-10-14(13-3-1-4-16(9-13)28-15-6-7-15)11-20(24)18(19)12-21-17(22(26)27)5-2-8-25-21;1-12-15(13-6-3-2-4-7-13)10-17(21)16(19(12)22)11-18-14(20(24)25)8-5-9-23-18/h1-3,8-11,13-14,18H,4-7,12H2,(H,29,30);1-3,6-9,11-12H,4-5,10H2,(H,30,31);1-5,8-11,15H,6-7,12H2,(H,26,27);2-10H,11H2,1H3,(H,24,25)
InChIKeyFDRNHLZLOQWFJO-UHFFFAOYSA-N
XLogP21.31
TPSA228.45 Ų
H-Bond Donors4
H-Bond Acceptors11
Rotatable Bonds23
Heavy Atoms116
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001591.54
LogP ≤ 521.31
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1011

Analyze 5-cyclopropyl-2-[[4-(3-cyclopropyloxyphenyl)-2,6-difluorophenyl]methyl]pyridine-3-carboxylic acid;5-cyclopropyl-2-[[2,6-difluoro-4-[3-(trifluoromethoxy)phenyl]phenyl]methyl]pyridine-3-carboxylic acid;2-[[4-(3-cyclopropyloxyphenyl)-2,6-difluorophenyl]methyl]pyridine-3-carboxylic acid;2-[(2,6-difluoro-3-methyl-4-phenylphenyl)methyl]pyridine-3-carboxylic acid with MolForge

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Related Compounds

5-Cyclopropyl-2-[[6-(3-methoxyphenyl)-5-(trifluoromethyl)pyridin-3-yl]amino]benzoic acid;ethyl 5-cyclopropyl-2-[[6-(3-methoxyphenyl)-5-(trifluoromethyl)pyridin-3-yl]amino]benzoate
CID 87554611
5-Cyclopropyl-2-[[5-methyl-6-[3-(trifluoromethoxy)phenyl]pyridin-3-yl]amino]benzoic acid;ethyl 5-cyclopropyl-2-[[5-methyl-6-[3-(trifluoromethoxy)phenyl]pyridin-3-yl]amino]benzoate
CID 87554775
6-[1-[[3-Cyclopropyl-5-ethoxy-4-(4-fluorophenyl)phenyl]methyl]piperidin-4-yl]-5-oxo-7,8-dihydro-1,6-naphthyridine-3-carboxylic acid
CID 117992269
3-[2-[5-[3-[2-[[5-[7-(2-carboxypropyl)-3,4-dihydro-2H-chromen-2-yl]-2-(5-fluoro-2-methoxy-4-pyridinyl)phenyl]-methoxymethyl]cyclopropyl]-2-fluoro-5-methoxyphenyl]pyrazin-2-yl]-3,4-dihydro-2H-chromen-7-yl]-3-cyclopropyl-2-methylpropanoic acid
CID 123745904
(2S,3R)-3-cyclopropyl-3-[2-[3-[(4,4-difluoropiperidin-1-yl)methyl]-4-(5-fluoro-2-methyl-4-pyridinyl)phenyl]-3,4-dihydro-2H-chromen-7-yl]-2-methylpropanoic acid
CID 130288299
(2S,3R)-3-cyclopropyl-3-[2-[4-(5-fluoro-2-methyl-4-pyridinyl)-3-[(4-methoxypiperidin-1-yl)methyl]phenyl]-3,4-dihydro-2H-chromen-7-yl]-2-methylpropanoic acid
CID 130289389
(2S,3R)-3-[2-[3-[[2-[4-[4-[7-[(1R,2S)-2-carboxy-1-cyclopropylpropyl]-3,4-dihydro-2H-chromen-2-yl]-2-[[2-[4-[6-[7-[(1R,2S)-2-carboxy-1-cyclopropylpropyl]-3,4-dihydro-2H-chromen-2-yl]-2-(diethylaminomethyl)-3-pyridinyl]-3-fluoro-6-methoxy-2-pyridinyl]ethyl-propan-2-ylamino]methyl]phenyl]-6-methoxy-2-pyridinyl]ethyl-ethylamino]methyl]-4-(5-cyano-2-methoxy-4-pyridinyl)phenyl]-3,4-dihydro-2H-chromen-7-yl]-3-cyclopropyl-2-methylpropanoic acid
CID 130294442
3-[6-[2-[2-Carboxy-1-[4-[[4-(2-fluoro-5-methoxyphenyl)cyclohexyl]methoxy]-2-pyridinyl]ethyl]cyclopropyl]-4-[[4-(2-fluoro-5-methoxyphenyl)cyclohexyl]methoxy]-2-pyridinyl]-3-cyclopropylpropanoic acid
CID 134465928
6-[1-[(2-Cyclopropyl-6-ethoxy-3-fluoro-4-phenylphenyl)methyl]piperidin-4-yl]-5-oxo-7,8-dihydro-1,6-naphthyridine-3-carboxylic acid
CID 141633804
6-[9-[[3-Ethoxy-5-(ethoxymethyl)-4-(4-fluorophenyl)phenyl]methyl]-1-oxa-2,9-diazaspiro[5.5]undec-2-en-3-yl]pyridine-3-carboxylic acid
CID 144282964
(Z)-4-[4-[5-(4,4-difluoropiperidine-1-carbonyl)-2-pyridinyl]-2-(trifluoromethyl)phenoxy]but-2-enoic acid;ethane;ethyl (Z)-4-[4-[5-(4,4-difluoropiperidine-1-carbonyl)-2-pyridinyl]-2-(trifluoromethyl)phenoxy]but-2-enoate
CID 144811980
5-Cyclopropyl-2-[[2-fluoro-4-(3-methoxyphenyl)-5-methylphenyl]methyl]pyridine-3-carboxylic acid
CID 147012036

Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-2-[[4-(3-cyclopropyloxyphenyl)-2,6-difluorophenyl]methyl]pyridine-3-carboxylic acid;5-cyclopropyl-2-[[2,6-difluoro-4-[3-(trifluoromethoxy)phenyl]phenyl]methyl]pyridine-3-carboxylic acid;2-[[4-(3-cyclopropyloxyphenyl)-2,6-difluorophenyl]methyl]pyridine-3-carboxylic acid;2-[(2,6-difluoro-3-methyl-4-phenylphenyl)methyl]pyridine-3-carboxylic acid?
The IUPAC name of 5-cyclopropyl-2-[[4-(3-cyclopropyloxyphenyl)-2,6-difluorophenyl]methyl]pyridine-3-carboxylic acid;5-cyclopropyl-2-[[2,6-difluoro-4-[3-(trifluoromethoxy)phenyl]phenyl]methyl]pyridine-3-carboxylic acid;2-[[4-(3-cyclopropyloxyphenyl)-2,6-difluorophenyl]methyl]pyridine-3-carboxylic acid;2-[(2,6-difluoro-3-methyl-4-phenylphenyl)methyl]pyridine-3-carboxylic acid (CID 167564976) is 5-cyclopropyl-2-[[4-(3-cyclopropyloxyphenyl)-2,6-difluorophenyl]methyl]pyridine-3-carboxylic acid;5-cyclopropyl-2-[[2,6-difluoro-4-[3-(trifluoromethoxy)phenyl]phenyl]methyl]pyridine-3-carboxylic acid;2-[[4-(3-cyclopropyloxyphenyl)-2,6-difluorophenyl]methyl]pyridine-3-carboxylic acid;2-[(2,6-difluoro-3-methyl-4-phenylphenyl)methyl]pyridine-3-carboxylic acid.
What is the SMILES notation for 5-cyclopropyl-2-[[4-(3-cyclopropyloxyphenyl)-2,6-difluorophenyl]methyl]pyridine-3-carboxylic acid;5-cyclopropyl-2-[[2,6-difluoro-4-[3-(trifluoromethoxy)phenyl]phenyl]methyl]pyridine-3-carboxylic acid;2-[[4-(3-cyclopropyloxyphenyl)-2,6-difluorophenyl]methyl]pyridine-3-carboxylic acid;2-[(2,6-difluoro-3-methyl-4-phenylphenyl)methyl]pyridine-3-carboxylic acid?
The canonical SMILES for 5-cyclopropyl-2-[[4-(3-cyclopropyloxyphenyl)-2,6-difluorophenyl]methyl]pyridine-3-carboxylic acid;5-cyclopropyl-2-[[2,6-difluoro-4-[3-(trifluoromethoxy)phenyl]phenyl]methyl]pyridine-3-carboxylic acid;2-[[4-(3-cyclopropyloxyphenyl)-2,6-difluorophenyl]methyl]pyridine-3-carboxylic acid;2-[(2,6-difluoro-3-methyl-4-phenylphenyl)methyl]pyridine-3-carboxylic acid is Cc1c(-c2ccccc2)cc(F)c(Cc2ncccc2C(=O)O)c1F.O=C(O)c1cc(C2CC2)cnc1Cc1c(F)cc(-c2cccc(OC(F)(F)F)c2)cc1F.O=C(O)c1cc(C2CC2)cnc1Cc1c(F)cc(-c2cccc(OC3CC3)c2)cc1F.O=C(O)c1cccnc1Cc1c(F)cc(-c2cccc(OC3CC3)c2)cc1F.
What is the InChIKey of 5-cyclopropyl-2-[[4-(3-cyclopropyloxyphenyl)-2,6-difluorophenyl]methyl]pyridine-3-carboxylic acid;5-cyclopropyl-2-[[2,6-difluoro-4-[3-(trifluoromethoxy)phenyl]phenyl]methyl]pyridine-3-carboxylic acid;2-[[4-(3-cyclopropyloxyphenyl)-2,6-difluorophenyl]methyl]pyridine-3-carboxylic acid;2-[(2,6-difluoro-3-methyl-4-phenylphenyl)methyl]pyridine-3-carboxylic acid?
The InChIKey is FDRNHLZLOQWFJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21F2NO3.C23H16F5NO3.C22H17F2NO3.C20H15F2NO2/c26-22-10-16(15-2-1-3-19(8-15)31-18-6-7-18)11-23(27)20(22)12-24-21(25(29)30)9-17(13-28-24)14-4-5-14;24-19-8-14(13-2-1-3-16(6-13)32-23(26,27)28)9-20(25)17(19)10-21-18(22(30)31)7-15(11-29-21)12-4-5-12;23-19-10-14(13-3-1-4-16(9-13)28-15-6-7-15)11-20(24)18(19)12-21-17(22(26)27)5-2-8-25-21;1-12-15(13-6-3-2-4-7-13)10-17(21)16(19(12)22)11-18-14(20(24)25)8-5-9-23-18/h1-3,8-11,13-14,18H,4-7,12H2,(H,29,30);1-3,6-9,11-12H,4-5,10H2,(H,30,31);1-5,8-11,15H,6-7,12H2,(H,26,27);2-10H,11H2,1H3,(H,24,25).
What are the key properties of 5-cyclopropyl-2-[[4-(3-cyclopropyloxyphenyl)-2,6-difluorophenyl]methyl]pyridine-3-carboxylic acid;5-cyclopropyl-2-[[2,6-difluoro-4-[3-(trifluoromethoxy)phenyl]phenyl]methyl]pyridine-3-carboxylic acid;2-[[4-(3-cyclopropyloxyphenyl)-2,6-difluorophenyl]methyl]pyridine-3-carboxylic acid;2-[(2,6-difluoro-3-methyl-4-phenylphenyl)methyl]pyridine-3-carboxylic acid?
5-cyclopropyl-2-[[4-(3-cyclopropyloxyphenyl)-2,6-difluorophenyl]methyl]pyridine-3-carboxylic acid;5-cyclopropyl-2-[[2,6-difluoro-4-[3-(trifluoromethoxy)phenyl]phenyl]methyl]pyridine-3-carboxylic acid;2-[[4-(3-cyclopropyloxyphenyl)-2,6-difluorophenyl]methyl]pyridine-3-carboxylic acid;2-[(2,6-difluoro-3-methyl-4-phenylphenyl)methyl]pyridine-3-carboxylic acid has a molecular weight of 1591.54 g/mol, XLogP of 21.31, 23 rotatable bonds, 4 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-2-[[4-(3-cyclopropyloxyphenyl)-2,6-difluorophenyl]methyl]pyridine-3-carboxylic acid;5-cyclopropyl-2-[[2,6-difluoro-4-[3-(trifluoromethoxy)phenyl]phenyl]methyl]pyridine-3-carboxylic acid;2-[[4-(3-cyclopropyloxyphenyl)-2,6-difluorophenyl]methyl]pyridine-3-carboxylic acid;2-[(2,6-difluoro-3-methyl-4-phenylphenyl)methyl]pyridine-3-carboxylic acid is sourced from PubChem (CID 167564976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).