3-[2-chloro-4-[4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4,5-dihydroxypentanoyl]phenoxy]pyrrolidin-2-one;1-(4-cyclopropyloxy-3-methoxyphenyl)-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4,5-dihydroxyhexan-1-one;4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4,5-dihydroxy-1-(8-methoxyquinolin-6-yl)pentan-1-one;2-[2-methoxy-4-[5,5,5-trifluoro-4-[6-[4-fluoro-3-[(1S)-1-fluoroethyl]phenyl]-5-methoxy-2-pyridinyl]-4-hydroxypentanoyl]phenoxy]acetamide;bis(2-[2-methoxy-4-[5,5,5-trifluoro-4-[6-[4-fluoro-3-(1-fluoroethyl)phenyl]-5-methoxy-2-pyridinyl]-4-hydroxypentanoyl]phenoxy]acetamide)

C169H168ClF18N11O35 — CID 167658835

About 3-[2-chloro-4-[4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4,5-dihydroxypentanoyl]phenoxy]pyrrolidin-2-one;1-(4-cyclopropyloxy-3-methoxyphenyl)-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4,5-dihydroxyhexan-1-one;4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4,5-dihydroxy-1-(8-methoxyquinolin-6-yl)pentan-1-one;2-[2-methoxy-4-[5,5,5-trifluoro-4-[6-[4-fluoro-3-[(1S)-1-fluoroethyl]phenyl]-5-methoxy-2-pyridinyl]-4-hydroxypentanoyl]phenoxy]acetamide;bis(2-[2-methoxy-4-[5,5,5-trifluoro-4-[6-[4-fluoro-3-(1-fluoroethyl)phenyl]-5-methoxy-2-pyridinyl]-4-hydroxypentanoyl]phenoxy]acetamide)

3-[2-chloro-4-[4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4,5-dihydroxypentanoyl]phenoxy]pyrrolidin-2-one;1-(4-cyclopropyloxy-3-methoxyphenyl)-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4,5-dihydroxyhexan-1-one;4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4,5-dihydroxy-1-(8-methoxyquinolin-6-yl)pentan-1-one;2-[2-methoxy-4-[5,5,5-trifluoro-4-[6-[4-fluoro-3-[(1S)-1-fluoroethyl]phenyl]-5-methoxy-2-pyridinyl]-4-hydroxypentanoyl]phenoxy]acetamide;bis(2-[2-methoxy-4-[5,5,5-trifluoro-4-[6-[4-fluoro-3-(1-fluoroethyl)phenyl]-5-methoxy-2-pyridinyl]-4-hydroxypentanoyl]phenoxy]acetamide) (PubChem CID 167658835) has the molecular formula C169H168ClF18N11O35 and a molecular weight of 3290.66 g/mol. Its IUPAC name is 3-[2-chloro-4-[4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4,5-dihydroxypentanoyl]phenoxy]pyrrolidin-2-one;1-(4-cyclopropyloxy-3-methoxyphenyl)-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4,5-dihydroxyhexan-1-one;4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4,5-dihydroxy-1-(8-methoxyquinolin-6-yl)pentan-1-one;2-[2-methoxy-4-[5,5,5-trifluoro-4-[6-[4-fluoro-3-[(1S)-1-fluoroethyl]phenyl]-5-methoxy-2-pyridinyl]-4-hydroxypentanoyl]phenoxy]acetamide;bis(2-[2-methoxy-4-[5,5,5-trifluoro-4-[6-[4-fluoro-3-(1-fluoroethyl)phenyl]-5-methoxy-2-pyridinyl]-4-hydroxypentanoyl]phenoxy]acetamide).

Molecular Properties

• Compound Name: 3-[2-chloro-4-[4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4,5-dihydroxypentanoyl]phenoxy]pyrrolidin-2-one;1-(4-cyclopropyloxy-3-methoxyphenyl)-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4,5-dihydroxyhexan-1-one;4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4,5-dihydroxy-1-(8-methoxyquinolin-6-yl)pentan-1-one;2-[2-methoxy-4-[5,5,5-trifluoro-4-[6-[4-fluoro-3-[(1S)-1-fluoroethyl]phenyl]-5-methoxy-2-pyridinyl]-4-hydroxypentanoyl]phenoxy]acetamide;bis(2-[2-methoxy-4-[5,5,5-trifluoro-4-[6-[4-fluoro-3-(1-fluoroethyl)phenyl]-5-methoxy-2-pyridinyl]-4-hydroxypentanoyl]phenoxy]acetamide)
• PubChem CID: 167658835
• Molecular Formula: C169H168ClF18N11O35
• Molecular Weight: 3290.66 g/mol
• Exact Mass: 3288.11
• IUPAC Name: 3-[2-chloro-4-[4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4,5-dihydroxypentanoyl]phenoxy]pyrrolidin-2-one;1-(4-cyclopropyloxy-3-methoxyphenyl)-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4,5-dihydroxyhexan-1-one;4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4,5-dihydroxy-1-(8-methoxyquinolin-6-yl)pentan-1-one;2-[2-methoxy-4-[5,5,5-trifluoro-4-[6-[4-fluoro-3-[(1S)-1-fluoroethyl]phenyl]-5-methoxy-2-pyridinyl]-4-hydroxypentanoyl]phenoxy]acetamide;bis(2-[2-methoxy-4-[5,5,5-trifluoro-4-[6-[4-fluoro-3-(1-fluoroethyl)phenyl]-5-methoxy-2-pyridinyl]-4-hydroxypentanoyl]phenoxy]acetamide)
• SMILES: COc1cc(C(=O)CCC(O)(c2ccc(OC)c(-c3ccc(F)c(C(C)F)c3)n2)C(F)(F)F)ccc1OCC(N)=O.COc1cc(C(=O)CCC(O)(c2ccc(OC)c(-c3ccc(F)c(C(C)F)c3)n2)C(F)(F)F)ccc1OCC(N)=O.COc1cc(C(=O)CCC(O)(c2ccc(OC)c(-c3ccc(F)c(C)c3)n2)C(C)O)ccc1OC1CC1.COc1cc(C(=O)CCC(O)(c2ccc(OC)c(-c3ccc(F)c([C@H](C)F)c3)n2)C(F)(F)F)ccc1OCC(N)=O.COc1ccc(C(O)(CO)CCC(=O)c2cc(OC)c3ncccc3c2)nc1-c1ccc(F)c(C)c1.COc1ccc(C(O)(CO)CCC(=O)c2ccc(OC3CCNC3=O)c(Cl)c2)nc1-c1ccc(F)c(C)c1
• InChI: InChI=1S/C29H32FNO6.C28H28ClFN2O6.3C28H27F5N2O6.C28H27FN2O5/c1-17-15-20(5-9-22(17)30)28-25(35-3)11-12-27(31-28)29(34,18(2)32)14-13-23(33)19-6-10-24(26(16-19)36-4)37-21-7-8-21;1-16-13-18(3-5-20(16)30)26-23(37-2)7-8-25(32-26)28(36,15-33)11-9-21(34)17-4-6-22(19(29)14-17)38-24-10-12-31-27(24)35;3*1-15(29)18-12-17(4-6-19(18)30)26-22(39-2)8-9-24(35-26)27(38,28(31,32)33)11-10-20(36)16-5-7-21(23(13-16)40-3)41-14-25(34)37;1-17-13-19(6-7-21(17)29)27-23(35-2)8-9-25(31-27)28(34,16-32)11-10-22(33)20-14-18-5-4-12-30-26(18)24(15-20)36-3/h5-6,9-12,15-16,18,21,32,34H,7-8,13-14H2,1-4H3;3-8,13-14,24,33,36H,9-12,15H2,1-2H3,(H,31,35);3*4-9,12-13,15,38H,10-11,14H2,1-3H3,(H2,34,37);4-9,12-15,32,34H,10-11,16H2,1-3H3/t;;15-,27?;;;/m..0.../s1
• InChIKey: RQUCCBOVPXVNAS-PMGFORDKSA-N
• XLogP: 29.20
• TPSA: 680.77 Ų
• H-Bond Donors: 13
• H-Bond Acceptors: 42
• Rotatable Bonds: 66
• Heavy Atoms: 234
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3290.66
LogP ≤ 5	29.20
H-Bond Donors ≤ 5	13
H-Bond Acceptors ≤ 10	42

Frequently Asked Questions

What is the IUPAC name of 3-[2-chloro-4-[4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4,5-dihydroxypentanoyl]phenoxy]pyrrolidin-2-one;1-(4-cyclopropyloxy-3-methoxyphenyl)-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4,5-dihydroxyhexan-1-one;4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4,5-dihydroxy-1-(8-methoxyquinolin-6-yl)pentan-1-one;2-[2-methoxy-4-[5,5,5-trifluoro-4-[6-[4-fluoro-3-[(1S)-1-fluoroethyl]phenyl]-5-methoxy-2-pyridinyl]-4-hydroxypentanoyl]phenoxy]acetamide;bis(2-[2-methoxy-4-[5,5,5-trifluoro-4-[6-[4-fluoro-3-(1-fluoroethyl)phenyl]-5-methoxy-2-pyridinyl]-4-hydroxypentanoyl]phenoxy]acetamide)?

The IUPAC name of 3-[2-chloro-4-[4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4,5-dihydroxypentanoyl]phenoxy]pyrrolidin-2-one;1-(4-cyclopropyloxy-3-methoxyphenyl)-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4,5-dihydroxyhexan-1-one;4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4,5-dihydroxy-1-(8-methoxyquinolin-6-yl)pentan-1-one;2-[2-methoxy-4-[5,5,5-trifluoro-4-[6-[4-fluoro-3-[(1S)-1-fluoroethyl]phenyl]-5-methoxy-2-pyridinyl]-4-hydroxypentanoyl]phenoxy]acetamide;bis(2-[2-methoxy-4-[5,5,5-trifluoro-4-[6-[4-fluoro-3-(1-fluoroethyl)phenyl]-5-methoxy-2-pyridinyl]-4-hydroxypentanoyl]phenoxy]acetamide) (CID 167658835) is 3-[2-chloro-4-[4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4,5-dihydroxypentanoyl]phenoxy]pyrrolidin-2-one;1-(4-cyclopropyloxy-3-methoxyphenyl)-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4,5-dihydroxyhexan-1-one;4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4,5-dihydroxy-1-(8-methoxyquinolin-6-yl)pentan-1-one;2-[2-methoxy-4-[5,5,5-trifluoro-4-[6-[4-fluoro-3-[(1S)-1-fluoroethyl]phenyl]-5-methoxy-2-pyridinyl]-4-hydroxypentanoyl]phenoxy]acetamide;bis(2-[2-methoxy-4-[5,5,5-trifluoro-4-[6-[4-fluoro-3-(1-fluoroethyl)phenyl]-5-methoxy-2-pyridinyl]-4-hydroxypentanoyl]phenoxy]acetamide).

What is the SMILES notation for 3-[2-chloro-4-[4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4,5-dihydroxypentanoyl]phenoxy]pyrrolidin-2-one;1-(4-cyclopropyloxy-3-methoxyphenyl)-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4,5-dihydroxyhexan-1-one;4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4,5-dihydroxy-1-(8-methoxyquinolin-6-yl)pentan-1-one;2-[2-methoxy-4-[5,5,5-trifluoro-4-[6-[4-fluoro-3-[(1S)-1-fluoroethyl]phenyl]-5-methoxy-2-pyridinyl]-4-hydroxypentanoyl]phenoxy]acetamide;bis(2-[2-methoxy-4-[5,5,5-trifluoro-4-[6-[4-fluoro-3-(1-fluoroethyl)phenyl]-5-methoxy-2-pyridinyl]-4-hydroxypentanoyl]phenoxy]acetamide)?

The canonical SMILES for 3-[2-chloro-4-[4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4,5-dihydroxypentanoyl]phenoxy]pyrrolidin-2-one;1-(4-cyclopropyloxy-3-methoxyphenyl)-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4,5-dihydroxyhexan-1-one;4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4,5-dihydroxy-1-(8-methoxyquinolin-6-yl)pentan-1-one;2-[2-methoxy-4-[5,5,5-trifluoro-4-[6-[4-fluoro-3-[(1S)-1-fluoroethyl]phenyl]-5-methoxy-2-pyridinyl]-4-hydroxypentanoyl]phenoxy]acetamide;bis(2-[2-methoxy-4-[5,5,5-trifluoro-4-[6-[4-fluoro-3-(1-fluoroethyl)phenyl]-5-methoxy-2-pyridinyl]-4-hydroxypentanoyl]phenoxy]acetamide) is COc1cc(C(=O)CCC(O)(c2ccc(OC)c(-c3ccc(F)c(C(C)F)c3)n2)C(F)(F)F)ccc1OCC(N)=O.COc1cc(C(=O)CCC(O)(c2ccc(OC)c(-c3ccc(F)c(C(C)F)c3)n2)C(F)(F)F)ccc1OCC(N)=O.COc1cc(C(=O)CCC(O)(c2ccc(OC)c(-c3ccc(F)c(C)c3)n2)C(C)O)ccc1OC1CC1.COc1cc(C(=O)CCC(O)(c2ccc(OC)c(-c3ccc(F)c([C@H](C)F)c3)n2)C(F)(F)F)ccc1OCC(N)=O.COc1ccc(C(O)(CO)CCC(=O)c2cc(OC)c3ncccc3c2)nc1-c1ccc(F)c(C)c1.COc1ccc(C(O)(CO)CCC(=O)c2ccc(OC3CCNC3=O)c(Cl)c2)nc1-c1ccc(F)c(C)c1.

What is the InChIKey of 3-[2-chloro-4-[4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4,5-dihydroxypentanoyl]phenoxy]pyrrolidin-2-one;1-(4-cyclopropyloxy-3-methoxyphenyl)-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4,5-dihydroxyhexan-1-one;4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4,5-dihydroxy-1-(8-methoxyquinolin-6-yl)pentan-1-one;2-[2-methoxy-4-[5,5,5-trifluoro-4-[6-[4-fluoro-3-[(1S)-1-fluoroethyl]phenyl]-5-methoxy-2-pyridinyl]-4-hydroxypentanoyl]phenoxy]acetamide;bis(2-[2-methoxy-4-[5,5,5-trifluoro-4-[6-[4-fluoro-3-(1-fluoroethyl)phenyl]-5-methoxy-2-pyridinyl]-4-hydroxypentanoyl]phenoxy]acetamide)?

The InChIKey is RQUCCBOVPXVNAS-PMGFORDKSA-N. The full InChI is InChI=1S/C29H32FNO6.C28H28ClFN2O6.3C28H27F5N2O6.C28H27FN2O5/c1-17-15-20(5-9-22(17)30)28-25(35-3)11-12-27(31-28)29(34,18(2)32)14-13-23(33)19-6-10-24(26(16-19)36-4)37-21-7-8-21;1-16-13-18(3-5-20(16)30)26-23(37-2)7-8-25(32-26)28(36,15-33)11-9-21(34)17-4-6-22(19(29)14-17)38-24-10-12-31-27(24)35;3*1-15(29)18-12-17(4-6-19(18)30)26-22(39-2)8-9-24(35-26)27(38,28(31,32)33)11-10-20(36)16-5-7-21(23(13-16)40-3)41-14-25(34)37;1-17-13-19(6-7-21(17)29)27-23(35-2)8-9-25(31-27)28(34,16-32)11-10-22(33)20-14-18-5-4-12-30-26(18)24(15-20)36-3/h5-6,9-12,15-16,18,21,32,34H,7-8,13-14H2,1-4H3;3-8,13-14,24,33,36H,9-12,15H2,1-2H3,(H,31,35);3*4-9,12-13,15,38H,10-11,14H2,1-3H3,(H2,34,37);4-9,12-15,32,34H,10-11,16H2,1-3H3/t;;15-,27?;;;/m..0.../s1.

What are the key properties of 3-[2-chloro-4-[4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4,5-dihydroxypentanoyl]phenoxy]pyrrolidin-2-one;1-(4-cyclopropyloxy-3-methoxyphenyl)-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4,5-dihydroxyhexan-1-one;4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4,5-dihydroxy-1-(8-methoxyquinolin-6-yl)pentan-1-one;2-[2-methoxy-4-[5,5,5-trifluoro-4-[6-[4-fluoro-3-[(1S)-1-fluoroethyl]phenyl]-5-methoxy-2-pyridinyl]-4-hydroxypentanoyl]phenoxy]acetamide;bis(2-[2-methoxy-4-[5,5,5-trifluoro-4-[6-[4-fluoro-3-(1-fluoroethyl)phenyl]-5-methoxy-2-pyridinyl]-4-hydroxypentanoyl]phenoxy]acetamide)?

3-[2-chloro-4-[4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4,5-dihydroxypentanoyl]phenoxy]pyrrolidin-2-one;1-(4-cyclopropyloxy-3-methoxyphenyl)-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4,5-dihydroxyhexan-1-one;4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4,5-dihydroxy-1-(8-methoxyquinolin-6-yl)pentan-1-one;2-[2-methoxy-4-[5,5,5-trifluoro-4-[6-[4-fluoro-3-[(1S)-1-fluoroethyl]phenyl]-5-methoxy-2-pyridinyl]-4-hydroxypentanoyl]phenoxy]acetamide;bis(2-[2-methoxy-4-[5,5,5-trifluoro-4-[6-[4-fluoro-3-(1-fluoroethyl)phenyl]-5-methoxy-2-pyridinyl]-4-hydroxypentanoyl]phenoxy]acetamide) has a molecular weight of 3290.66 g/mol, XLogP of 29.20, 66 rotatable bonds, 13 hydrogen bond donors, and 42 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[2-chloro-4-[4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4,5-dihydroxypentanoyl]phenoxy]pyrrolidin-2-one;1-(4-cyclopropyloxy-3-methoxyphenyl)-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4,5-dihydroxyhexan-1-one;4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4,5-dihydroxy-1-(8-methoxyquinolin-6-yl)pentan-1-one;2-[2-methoxy-4-[5,5,5-trifluoro-4-[6-[4-fluoro-3-[(1S)-1-fluoroethyl]phenyl]-5-methoxy-2-pyridinyl]-4-hydroxypentanoyl]phenoxy]acetamide;bis(2-[2-methoxy-4-[5,5,5-trifluoro-4-[6-[4-fluoro-3-(1-fluoroethyl)phenyl]-5-methoxy-2-pyridinyl]-4-hydroxypentanoyl]phenoxy]acetamide) is sourced from PubChem (CID 167658835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).