1-(4-cyclopropyloxy-3-methoxyphenyl)-4-[4-(1,3-dimethylpyrrolidin-3-yl)-6-(4-methylphenyl)-2-pyridinyl]-4-hydroxypentan-1-one;1-(4-cyclopropyloxy-3-methoxyphenyl)-4-[6-(4-fluoro-3-methylphenyl)-4-(2-methylazetidin-2-yl)-2-pyridinyl]-4-hydroxypentan-1-one;1-(4-cyclopropyloxy-3-methoxyphenyl)-5,5,5-trifluoro-4-[6-(4-fluoro-3-methylphenyl)-4-(2-methylazetidin-2-yl)-2-pyridinyl]-4-hydroxypentan-1-one;1-(4-cyclopropyloxy-3-methoxyphenyl)-5,5,5-trifluoro-4-[6-(4-fluoro-3-methylphenyl)-4-piperidin-4-yl-2-pyridinyl]-4-hydroxypentan-1-one;5,5,5-trifluoro-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]-4-[4-(2-methylazetidin-2-yl)-6-(4-methylphenyl)-2-pyridinyl]pentan-1-one

C157H174F12N10O21 — CID 158674772

About 1-(4-cyclopropyloxy-3-methoxyphenyl)-4-[4-(1,3-dimethylpyrrolidin-3-yl)-6-(4-methylphenyl)-2-pyridinyl]-4-hydroxypentan-1-one;1-(4-cyclopropyloxy-3-methoxyphenyl)-4-[6-(4-fluoro-3-methylphenyl)-4-(2-methylazetidin-2-yl)-2-pyridinyl]-4-hydroxypentan-1-one;1-(4-cyclopropyloxy-3-methoxyphenyl)-5,5,5-trifluoro-4-[6-(4-fluoro-3-methylphenyl)-4-(2-methylazetidin-2-yl)-2-pyridinyl]-4-hydroxypentan-1-one;1-(4-cyclopropyloxy-3-methoxyphenyl)-5,5,5-trifluoro-4-[6-(4-fluoro-3-methylphenyl)-4-piperidin-4-yl-2-pyridinyl]-4-hydroxypentan-1-one;5,5,5-trifluoro-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]-4-[4-(2-methylazetidin-2-yl)-6-(4-methylphenyl)-2-pyridinyl]pentan-1-one

1-(4-cyclopropyloxy-3-methoxyphenyl)-4-[4-(1,3-dimethylpyrrolidin-3-yl)-6-(4-methylphenyl)-2-pyridinyl]-4-hydroxypentan-1-one;1-(4-cyclopropyloxy-3-methoxyphenyl)-4-[6-(4-fluoro-3-methylphenyl)-4-(2-methylazetidin-2-yl)-2-pyridinyl]-4-hydroxypentan-1-one;1-(4-cyclopropyloxy-3-methoxyphenyl)-5,5,5-trifluoro-4-[6-(4-fluoro-3-methylphenyl)-4-(2-methylazetidin-2-yl)-2-pyridinyl]-4-hydroxypentan-1-one;1-(4-cyclopropyloxy-3-methoxyphenyl)-5,5,5-trifluoro-4-[6-(4-fluoro-3-methylphenyl)-4-piperidin-4-yl-2-pyridinyl]-4-hydroxypentan-1-one;5,5,5-trifluoro-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]-4-[4-(2-methylazetidin-2-yl)-6-(4-methylphenyl)-2-pyridinyl]pentan-1-one (PubChem CID 158674772) has the molecular formula C157H174F12N10O21 and a molecular weight of 2765.14 g/mol. Its IUPAC name is 1-(4-cyclopropyloxy-3-methoxyphenyl)-4-[4-(1,3-dimethylpyrrolidin-3-yl)-6-(4-methylphenyl)-2-pyridinyl]-4-hydroxypentan-1-one;1-(4-cyclopropyloxy-3-methoxyphenyl)-4-[6-(4-fluoro-3-methylphenyl)-4-(2-methylazetidin-2-yl)-2-pyridinyl]-4-hydroxypentan-1-one;1-(4-cyclopropyloxy-3-methoxyphenyl)-5,5,5-trifluoro-4-[6-(4-fluoro-3-methylphenyl)-4-(2-methylazetidin-2-yl)-2-pyridinyl]-4-hydroxypentan-1-one;1-(4-cyclopropyloxy-3-methoxyphenyl)-5,5,5-trifluoro-4-[6-(4-fluoro-3-methylphenyl)-4-piperidin-4-yl-2-pyridinyl]-4-hydroxypentan-1-one;5,5,5-trifluoro-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]-4-[4-(2-methylazetidin-2-yl)-6-(4-methylphenyl)-2-pyridinyl]pentan-1-one.

Molecular Properties

• Compound Name: 1-(4-cyclopropyloxy-3-methoxyphenyl)-4-[4-(1,3-dimethylpyrrolidin-3-yl)-6-(4-methylphenyl)-2-pyridinyl]-4-hydroxypentan-1-one;1-(4-cyclopropyloxy-3-methoxyphenyl)-4-[6-(4-fluoro-3-methylphenyl)-4-(2-methylazetidin-2-yl)-2-pyridinyl]-4-hydroxypentan-1-one;1-(4-cyclopropyloxy-3-methoxyphenyl)-5,5,5-trifluoro-4-[6-(4-fluoro-3-methylphenyl)-4-(2-methylazetidin-2-yl)-2-pyridinyl]-4-hydroxypentan-1-one;1-(4-cyclopropyloxy-3-methoxyphenyl)-5,5,5-trifluoro-4-[6-(4-fluoro-3-methylphenyl)-4-piperidin-4-yl-2-pyridinyl]-4-hydroxypentan-1-one;5,5,5-trifluoro-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]-4-[4-(2-methylazetidin-2-yl)-6-(4-methylphenyl)-2-pyridinyl]pentan-1-one
• PubChem CID: 158674772
• Molecular Formula: C157H174F12N10O21
• Molecular Weight: 2765.14 g/mol
• Exact Mass: 2763.27
• IUPAC Name: 1-(4-cyclopropyloxy-3-methoxyphenyl)-4-[4-(1,3-dimethylpyrrolidin-3-yl)-6-(4-methylphenyl)-2-pyridinyl]-4-hydroxypentan-1-one;1-(4-cyclopropyloxy-3-methoxyphenyl)-4-[6-(4-fluoro-3-methylphenyl)-4-(2-methylazetidin-2-yl)-2-pyridinyl]-4-hydroxypentan-1-one;1-(4-cyclopropyloxy-3-methoxyphenyl)-5,5,5-trifluoro-4-[6-(4-fluoro-3-methylphenyl)-4-(2-methylazetidin-2-yl)-2-pyridinyl]-4-hydroxypentan-1-one;1-(4-cyclopropyloxy-3-methoxyphenyl)-5,5,5-trifluoro-4-[6-(4-fluoro-3-methylphenyl)-4-piperidin-4-yl-2-pyridinyl]-4-hydroxypentan-1-one;5,5,5-trifluoro-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]-4-[4-(2-methylazetidin-2-yl)-6-(4-methylphenyl)-2-pyridinyl]pentan-1-one
• SMILES: COc1cc(C(=O)CCC(C)(O)c2cc(C3(C)CCN(C)C3)cc(-c3ccc(C)cc3)n2)ccc1OC1CC1.COc1cc(C(=O)CCC(C)(O)c2cc(C3(C)CCN3)cc(-c3ccc(F)c(C)c3)n2)ccc1OC1CC1.COc1cc(C(=O)CCC(O)(c2cc(C3(C)CCN3)cc(-c3ccc(C)cc3)n2)C(F)(F)F)ccc1OCCO.COc1cc(C(=O)CCC(O)(c2cc(C3(C)CCN3)cc(-c3ccc(F)c(C)c3)n2)C(F)(F)F)ccc1OC1CC1.COc1cc(C(=O)CCC(O)(c2cc(C3CCNCC3)cc(-c3ccc(F)c(C)c3)n2)C(F)(F)F)ccc1OC1CC1
• InChI: InChI=1S/C33H40N2O4.C32H34F4N2O4.C31H32F4N2O4.C31H35FN2O4.C30H33F3N2O5/c1-22-6-8-23(9-7-22)27-19-25(32(2)16-17-35(4)21-32)20-31(34-27)33(3,37)15-14-28(36)24-10-13-29(30(18-24)38-5)39-26-11-12-26;1-19-15-21(3-7-25(19)33)26-16-23(20-10-13-37-14-11-20)18-30(38-26)31(40,32(34,35)36)12-9-27(39)22-4-8-28(29(17-22)41-2)42-24-5-6-24;1-18-14-19(4-8-23(18)32)24-16-21(29(2)12-13-36-29)17-28(37-24)30(39,31(33,34)35)11-10-25(38)20-5-9-26(27(15-20)40-3)41-22-6-7-22;1-19-15-20(5-9-24(19)32)25-17-22(30(2)13-14-33-30)18-29(34-25)31(3,36)12-11-26(35)21-6-10-27(28(16-21)37-4)38-23-7-8-23;1-19-4-6-20(7-5-19)23-17-22(28(2)12-13-34-28)18-27(35-23)29(38,30(31,32)33)11-10-24(37)21-8-9-25(40-15-14-36)26(16-21)39-3/h6-10,13,18-20,26,37H,11-12,14-17,21H2,1-5H3;3-4,7-8,15-18,20,24,37,40H,5-6,9-14H2,1-2H3;4-5,8-9,14-17,22,36,39H,6-7,10-13H2,1-3H3;5-6,9-10,15-18,23,33,36H,7-8,11-14H2,1-4H3;4-9,16-18,34,36,38H,10-15H2,1-3H3
• InChIKey: IEJLUUYSQSCITA-UHFFFAOYSA-N
• XLogP: 29.95
• TPSA: 414.84 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 31
• Rotatable Bonds: 51
• Heavy Atoms: 200
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2765.14
LogP ≤ 5	29.95
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	31

Frequently Asked Questions

What is the IUPAC name of 1-(4-cyclopropyloxy-3-methoxyphenyl)-4-[4-(1,3-dimethylpyrrolidin-3-yl)-6-(4-methylphenyl)-2-pyridinyl]-4-hydroxypentan-1-one;1-(4-cyclopropyloxy-3-methoxyphenyl)-4-[6-(4-fluoro-3-methylphenyl)-4-(2-methylazetidin-2-yl)-2-pyridinyl]-4-hydroxypentan-1-one;1-(4-cyclopropyloxy-3-methoxyphenyl)-5,5,5-trifluoro-4-[6-(4-fluoro-3-methylphenyl)-4-(2-methylazetidin-2-yl)-2-pyridinyl]-4-hydroxypentan-1-one;1-(4-cyclopropyloxy-3-methoxyphenyl)-5,5,5-trifluoro-4-[6-(4-fluoro-3-methylphenyl)-4-piperidin-4-yl-2-pyridinyl]-4-hydroxypentan-1-one;5,5,5-trifluoro-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]-4-[4-(2-methylazetidin-2-yl)-6-(4-methylphenyl)-2-pyridinyl]pentan-1-one?

The IUPAC name of 1-(4-cyclopropyloxy-3-methoxyphenyl)-4-[4-(1,3-dimethylpyrrolidin-3-yl)-6-(4-methylphenyl)-2-pyridinyl]-4-hydroxypentan-1-one;1-(4-cyclopropyloxy-3-methoxyphenyl)-4-[6-(4-fluoro-3-methylphenyl)-4-(2-methylazetidin-2-yl)-2-pyridinyl]-4-hydroxypentan-1-one;1-(4-cyclopropyloxy-3-methoxyphenyl)-5,5,5-trifluoro-4-[6-(4-fluoro-3-methylphenyl)-4-(2-methylazetidin-2-yl)-2-pyridinyl]-4-hydroxypentan-1-one;1-(4-cyclopropyloxy-3-methoxyphenyl)-5,5,5-trifluoro-4-[6-(4-fluoro-3-methylphenyl)-4-piperidin-4-yl-2-pyridinyl]-4-hydroxypentan-1-one;5,5,5-trifluoro-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]-4-[4-(2-methylazetidin-2-yl)-6-(4-methylphenyl)-2-pyridinyl]pentan-1-one (CID 158674772) is 1-(4-cyclopropyloxy-3-methoxyphenyl)-4-[4-(1,3-dimethylpyrrolidin-3-yl)-6-(4-methylphenyl)-2-pyridinyl]-4-hydroxypentan-1-one;1-(4-cyclopropyloxy-3-methoxyphenyl)-4-[6-(4-fluoro-3-methylphenyl)-4-(2-methylazetidin-2-yl)-2-pyridinyl]-4-hydroxypentan-1-one;1-(4-cyclopropyloxy-3-methoxyphenyl)-5,5,5-trifluoro-4-[6-(4-fluoro-3-methylphenyl)-4-(2-methylazetidin-2-yl)-2-pyridinyl]-4-hydroxypentan-1-one;1-(4-cyclopropyloxy-3-methoxyphenyl)-5,5,5-trifluoro-4-[6-(4-fluoro-3-methylphenyl)-4-piperidin-4-yl-2-pyridinyl]-4-hydroxypentan-1-one;5,5,5-trifluoro-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]-4-[4-(2-methylazetidin-2-yl)-6-(4-methylphenyl)-2-pyridinyl]pentan-1-one.

What is the SMILES notation for 1-(4-cyclopropyloxy-3-methoxyphenyl)-4-[4-(1,3-dimethylpyrrolidin-3-yl)-6-(4-methylphenyl)-2-pyridinyl]-4-hydroxypentan-1-one;1-(4-cyclopropyloxy-3-methoxyphenyl)-4-[6-(4-fluoro-3-methylphenyl)-4-(2-methylazetidin-2-yl)-2-pyridinyl]-4-hydroxypentan-1-one;1-(4-cyclopropyloxy-3-methoxyphenyl)-5,5,5-trifluoro-4-[6-(4-fluoro-3-methylphenyl)-4-(2-methylazetidin-2-yl)-2-pyridinyl]-4-hydroxypentan-1-one;1-(4-cyclopropyloxy-3-methoxyphenyl)-5,5,5-trifluoro-4-[6-(4-fluoro-3-methylphenyl)-4-piperidin-4-yl-2-pyridinyl]-4-hydroxypentan-1-one;5,5,5-trifluoro-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]-4-[4-(2-methylazetidin-2-yl)-6-(4-methylphenyl)-2-pyridinyl]pentan-1-one?

The canonical SMILES for 1-(4-cyclopropyloxy-3-methoxyphenyl)-4-[4-(1,3-dimethylpyrrolidin-3-yl)-6-(4-methylphenyl)-2-pyridinyl]-4-hydroxypentan-1-one;1-(4-cyclopropyloxy-3-methoxyphenyl)-4-[6-(4-fluoro-3-methylphenyl)-4-(2-methylazetidin-2-yl)-2-pyridinyl]-4-hydroxypentan-1-one;1-(4-cyclopropyloxy-3-methoxyphenyl)-5,5,5-trifluoro-4-[6-(4-fluoro-3-methylphenyl)-4-(2-methylazetidin-2-yl)-2-pyridinyl]-4-hydroxypentan-1-one;1-(4-cyclopropyloxy-3-methoxyphenyl)-5,5,5-trifluoro-4-[6-(4-fluoro-3-methylphenyl)-4-piperidin-4-yl-2-pyridinyl]-4-hydroxypentan-1-one;5,5,5-trifluoro-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]-4-[4-(2-methylazetidin-2-yl)-6-(4-methylphenyl)-2-pyridinyl]pentan-1-one is COc1cc(C(=O)CCC(C)(O)c2cc(C3(C)CCN(C)C3)cc(-c3ccc(C)cc3)n2)ccc1OC1CC1.COc1cc(C(=O)CCC(C)(O)c2cc(C3(C)CCN3)cc(-c3ccc(F)c(C)c3)n2)ccc1OC1CC1.COc1cc(C(=O)CCC(O)(c2cc(C3(C)CCN3)cc(-c3ccc(C)cc3)n2)C(F)(F)F)ccc1OCCO.COc1cc(C(=O)CCC(O)(c2cc(C3(C)CCN3)cc(-c3ccc(F)c(C)c3)n2)C(F)(F)F)ccc1OC1CC1.COc1cc(C(=O)CCC(O)(c2cc(C3CCNCC3)cc(-c3ccc(F)c(C)c3)n2)C(F)(F)F)ccc1OC1CC1.

What is the InChIKey of 1-(4-cyclopropyloxy-3-methoxyphenyl)-4-[4-(1,3-dimethylpyrrolidin-3-yl)-6-(4-methylphenyl)-2-pyridinyl]-4-hydroxypentan-1-one;1-(4-cyclopropyloxy-3-methoxyphenyl)-4-[6-(4-fluoro-3-methylphenyl)-4-(2-methylazetidin-2-yl)-2-pyridinyl]-4-hydroxypentan-1-one;1-(4-cyclopropyloxy-3-methoxyphenyl)-5,5,5-trifluoro-4-[6-(4-fluoro-3-methylphenyl)-4-(2-methylazetidin-2-yl)-2-pyridinyl]-4-hydroxypentan-1-one;1-(4-cyclopropyloxy-3-methoxyphenyl)-5,5,5-trifluoro-4-[6-(4-fluoro-3-methylphenyl)-4-piperidin-4-yl-2-pyridinyl]-4-hydroxypentan-1-one;5,5,5-trifluoro-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]-4-[4-(2-methylazetidin-2-yl)-6-(4-methylphenyl)-2-pyridinyl]pentan-1-one?

The InChIKey is IEJLUUYSQSCITA-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H40N2O4.C32H34F4N2O4.C31H32F4N2O4.C31H35FN2O4.C30H33F3N2O5/c1-22-6-8-23(9-7-22)27-19-25(32(2)16-17-35(4)21-32)20-31(34-27)33(3,37)15-14-28(36)24-10-13-29(30(18-24)38-5)39-26-11-12-26;1-19-15-21(3-7-25(19)33)26-16-23(20-10-13-37-14-11-20)18-30(38-26)31(40,32(34,35)36)12-9-27(39)22-4-8-28(29(17-22)41-2)42-24-5-6-24;1-18-14-19(4-8-23(18)32)24-16-21(29(2)12-13-36-29)17-28(37-24)30(39,31(33,34)35)11-10-25(38)20-5-9-26(27(15-20)40-3)41-22-6-7-22;1-19-15-20(5-9-24(19)32)25-17-22(30(2)13-14-33-30)18-29(34-25)31(3,36)12-11-26(35)21-6-10-27(28(16-21)37-4)38-23-7-8-23;1-19-4-6-20(7-5-19)23-17-22(28(2)12-13-34-28)18-27(35-23)29(38,30(31,32)33)11-10-24(37)21-8-9-25(40-15-14-36)26(16-21)39-3/h6-10,13,18-20,26,37H,11-12,14-17,21H2,1-5H3;3-4,7-8,15-18,20,24,37,40H,5-6,9-14H2,1-2H3;4-5,8-9,14-17,22,36,39H,6-7,10-13H2,1-3H3;5-6,9-10,15-18,23,33,36H,7-8,11-14H2,1-4H3;4-9,16-18,34,36,38H,10-15H2,1-3H3.

What are the key properties of 1-(4-cyclopropyloxy-3-methoxyphenyl)-4-[4-(1,3-dimethylpyrrolidin-3-yl)-6-(4-methylphenyl)-2-pyridinyl]-4-hydroxypentan-1-one;1-(4-cyclopropyloxy-3-methoxyphenyl)-4-[6-(4-fluoro-3-methylphenyl)-4-(2-methylazetidin-2-yl)-2-pyridinyl]-4-hydroxypentan-1-one;1-(4-cyclopropyloxy-3-methoxyphenyl)-5,5,5-trifluoro-4-[6-(4-fluoro-3-methylphenyl)-4-(2-methylazetidin-2-yl)-2-pyridinyl]-4-hydroxypentan-1-one;1-(4-cyclopropyloxy-3-methoxyphenyl)-5,5,5-trifluoro-4-[6-(4-fluoro-3-methylphenyl)-4-piperidin-4-yl-2-pyridinyl]-4-hydroxypentan-1-one;5,5,5-trifluoro-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]-4-[4-(2-methylazetidin-2-yl)-6-(4-methylphenyl)-2-pyridinyl]pentan-1-one?

1-(4-cyclopropyloxy-3-methoxyphenyl)-4-[4-(1,3-dimethylpyrrolidin-3-yl)-6-(4-methylphenyl)-2-pyridinyl]-4-hydroxypentan-1-one;1-(4-cyclopropyloxy-3-methoxyphenyl)-4-[6-(4-fluoro-3-methylphenyl)-4-(2-methylazetidin-2-yl)-2-pyridinyl]-4-hydroxypentan-1-one;1-(4-cyclopropyloxy-3-methoxyphenyl)-5,5,5-trifluoro-4-[6-(4-fluoro-3-methylphenyl)-4-(2-methylazetidin-2-yl)-2-pyridinyl]-4-hydroxypentan-1-one;1-(4-cyclopropyloxy-3-methoxyphenyl)-5,5,5-trifluoro-4-[6-(4-fluoro-3-methylphenyl)-4-piperidin-4-yl-2-pyridinyl]-4-hydroxypentan-1-one;5,5,5-trifluoro-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]-4-[4-(2-methylazetidin-2-yl)-6-(4-methylphenyl)-2-pyridinyl]pentan-1-one has a molecular weight of 2765.14 g/mol, XLogP of 29.95, 51 rotatable bonds, 10 hydrogen bond donors, and 31 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(4-cyclopropyloxy-3-methoxyphenyl)-4-[4-(1,3-dimethylpyrrolidin-3-yl)-6-(4-methylphenyl)-2-pyridinyl]-4-hydroxypentan-1-one;1-(4-cyclopropyloxy-3-methoxyphenyl)-4-[6-(4-fluoro-3-methylphenyl)-4-(2-methylazetidin-2-yl)-2-pyridinyl]-4-hydroxypentan-1-one;1-(4-cyclopropyloxy-3-methoxyphenyl)-5,5,5-trifluoro-4-[6-(4-fluoro-3-methylphenyl)-4-(2-methylazetidin-2-yl)-2-pyridinyl]-4-hydroxypentan-1-one;1-(4-cyclopropyloxy-3-methoxyphenyl)-5,5,5-trifluoro-4-[6-(4-fluoro-3-methylphenyl)-4-piperidin-4-yl-2-pyridinyl]-4-hydroxypentan-1-one;5,5,5-trifluoro-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]-4-[4-(2-methylazetidin-2-yl)-6-(4-methylphenyl)-2-pyridinyl]pentan-1-one is sourced from PubChem (CID 158674772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).