4-[4-[2-(2-aminoethylamino)propan-2-yl]-6-(4-fluoro-3-methylphenyl)-2-pyridinyl]-1-(4-cyclopropyloxy-3-methoxyphenyl)-5,5,5-trifluoro-4-hydroxypentan-1-one;4-[3-amino-3-methyl-7-(4-methylphenyl)-2H-furo[2,3-c]pyridin-5-yl]-1-(4-cyclopropyloxy-3-methoxyphenyl)-4-hydroxypentan-1-one;(4R)-4-[(3R)-3-amino-3-methyl-7-(4-methylphenyl)-2H-furo[2,3-c]pyridin-5-yl]-1-(4-cyclopropyloxy-3-methoxyphenyl)-4-hydroxypentan-1-one;(4S)-4-[(3R)-3-amino-3-methyl-7-(4-methylphenyl)-2H-furo[2,3-c]pyridin-5-yl]-1-(4-cyclopropyloxy-3-methoxyphenyl)-4-hydroxypentan-1-one;1-(4-cyclopropyloxy-3-methoxyphenyl)-4-hydroxy-4-[6-(4-methylphenyl)-4-(3-methylpyrrolidin-3-yl)-2-pyridinyl]pentan-1-one

C154H177F4N11O23 — CID 161246475

About 4-[4-[2-(2-aminoethylamino)propan-2-yl]-6-(4-fluoro-3-methylphenyl)-2-pyridinyl]-1-(4-cyclopropyloxy-3-methoxyphenyl)-5,5,5-trifluoro-4-hydroxypentan-1-one;4-[3-amino-3-methyl-7-(4-methylphenyl)-2H-furo[2,3-c]pyridin-5-yl]-1-(4-cyclopropyloxy-3-methoxyphenyl)-4-hydroxypentan-1-one;(4R)-4-[(3R)-3-amino-3-methyl-7-(4-methylphenyl)-2H-furo[2,3-c]pyridin-5-yl]-1-(4-cyclopropyloxy-3-methoxyphenyl)-4-hydroxypentan-1-one;(4S)-4-[(3R)-3-amino-3-methyl-7-(4-methylphenyl)-2H-furo[2,3-c]pyridin-5-yl]-1-(4-cyclopropyloxy-3-methoxyphenyl)-4-hydroxypentan-1-one;1-(4-cyclopropyloxy-3-methoxyphenyl)-4-hydroxy-4-[6-(4-methylphenyl)-4-(3-methylpyrrolidin-3-yl)-2-pyridinyl]pentan-1-one

4-[4-[2-(2-aminoethylamino)propan-2-yl]-6-(4-fluoro-3-methylphenyl)-2-pyridinyl]-1-(4-cyclopropyloxy-3-methoxyphenyl)-5,5,5-trifluoro-4-hydroxypentan-1-one;4-[3-amino-3-methyl-7-(4-methylphenyl)-2H-furo[2,3-c]pyridin-5-yl]-1-(4-cyclopropyloxy-3-methoxyphenyl)-4-hydroxypentan-1-one;(4R)-4-[(3R)-3-amino-3-methyl-7-(4-methylphenyl)-2H-furo[2,3-c]pyridin-5-yl]-1-(4-cyclopropyloxy-3-methoxyphenyl)-4-hydroxypentan-1-one;(4S)-4-[(3R)-3-amino-3-methyl-7-(4-methylphenyl)-2H-furo[2,3-c]pyridin-5-yl]-1-(4-cyclopropyloxy-3-methoxyphenyl)-4-hydroxypentan-1-one;1-(4-cyclopropyloxy-3-methoxyphenyl)-4-hydroxy-4-[6-(4-methylphenyl)-4-(3-methylpyrrolidin-3-yl)-2-pyridinyl]pentan-1-one (PubChem CID 161246475) has the molecular formula C154H177F4N11O23 and a molecular weight of 2626.16 g/mol. Its IUPAC name is 4-[4-[2-(2-aminoethylamino)propan-2-yl]-6-(4-fluoro-3-methylphenyl)-2-pyridinyl]-1-(4-cyclopropyloxy-3-methoxyphenyl)-5,5,5-trifluoro-4-hydroxypentan-1-one;4-[3-amino-3-methyl-7-(4-methylphenyl)-2H-furo[2,3-c]pyridin-5-yl]-1-(4-cyclopropyloxy-3-methoxyphenyl)-4-hydroxypentan-1-one;(4R)-4-[(3R)-3-amino-3-methyl-7-(4-methylphenyl)-2H-furo[2,3-c]pyridin-5-yl]-1-(4-cyclopropyloxy-3-methoxyphenyl)-4-hydroxypentan-1-one;(4S)-4-[(3R)-3-amino-3-methyl-7-(4-methylphenyl)-2H-furo[2,3-c]pyridin-5-yl]-1-(4-cyclopropyloxy-3-methoxyphenyl)-4-hydroxypentan-1-one;1-(4-cyclopropyloxy-3-methoxyphenyl)-4-hydroxy-4-[6-(4-methylphenyl)-4-(3-methylpyrrolidin-3-yl)-2-pyridinyl]pentan-1-one.

Molecular Properties

• Compound Name: 4-[4-[2-(2-aminoethylamino)propan-2-yl]-6-(4-fluoro-3-methylphenyl)-2-pyridinyl]-1-(4-cyclopropyloxy-3-methoxyphenyl)-5,5,5-trifluoro-4-hydroxypentan-1-one;4-[3-amino-3-methyl-7-(4-methylphenyl)-2H-furo[2,3-c]pyridin-5-yl]-1-(4-cyclopropyloxy-3-methoxyphenyl)-4-hydroxypentan-1-one;(4R)-4-[(3R)-3-amino-3-methyl-7-(4-methylphenyl)-2H-furo[2,3-c]pyridin-5-yl]-1-(4-cyclopropyloxy-3-methoxyphenyl)-4-hydroxypentan-1-one;(4S)-4-[(3R)-3-amino-3-methyl-7-(4-methylphenyl)-2H-furo[2,3-c]pyridin-5-yl]-1-(4-cyclopropyloxy-3-methoxyphenyl)-4-hydroxypentan-1-one;1-(4-cyclopropyloxy-3-methoxyphenyl)-4-hydroxy-4-[6-(4-methylphenyl)-4-(3-methylpyrrolidin-3-yl)-2-pyridinyl]pentan-1-one
• PubChem CID: 161246475
• Molecular Formula: C154H177F4N11O23
• Molecular Weight: 2626.16 g/mol
• Exact Mass: 2624.30
• IUPAC Name: 4-[4-[2-(2-aminoethylamino)propan-2-yl]-6-(4-fluoro-3-methylphenyl)-2-pyridinyl]-1-(4-cyclopropyloxy-3-methoxyphenyl)-5,5,5-trifluoro-4-hydroxypentan-1-one;4-[3-amino-3-methyl-7-(4-methylphenyl)-2H-furo[2,3-c]pyridin-5-yl]-1-(4-cyclopropyloxy-3-methoxyphenyl)-4-hydroxypentan-1-one;(4R)-4-[(3R)-3-amino-3-methyl-7-(4-methylphenyl)-2H-furo[2,3-c]pyridin-5-yl]-1-(4-cyclopropyloxy-3-methoxyphenyl)-4-hydroxypentan-1-one;(4S)-4-[(3R)-3-amino-3-methyl-7-(4-methylphenyl)-2H-furo[2,3-c]pyridin-5-yl]-1-(4-cyclopropyloxy-3-methoxyphenyl)-4-hydroxypentan-1-one;1-(4-cyclopropyloxy-3-methoxyphenyl)-4-hydroxy-4-[6-(4-methylphenyl)-4-(3-methylpyrrolidin-3-yl)-2-pyridinyl]pentan-1-one
• SMILES: COc1cc(C(=O)CCC(C)(O)c2cc(C3(C)CCNC3)cc(-c3ccc(C)cc3)n2)ccc1OC1CC1.COc1cc(C(=O)CCC(C)(O)c2cc3c(c(-c4ccc(C)cc4)n2)OCC3(C)N)ccc1OC1CC1.COc1cc(C(=O)CCC(O)(c2cc(C(C)(C)NCCN)cc(-c3ccc(F)c(C)c3)n2)C(F)(F)F)ccc1OC1CC1.COc1cc(C(=O)CC[C@@](C)(O)c2cc3c(c(-c4ccc(C)cc4)n2)OC[C@]3(C)N)ccc1OC1CC1.COc1cc(C(=O)CC[C@](C)(O)c2cc3c(c(-c4ccc(C)cc4)n2)OC[C@]3(C)N)ccc1OC1CC1
• InChI: InChI=1S/C32H37F4N3O4.C32H38N2O4.3C30H34N2O5/c1-19-15-20(5-9-24(19)33)25-17-22(30(2,3)38-14-13-37)18-29(39-25)31(41,32(34,35)36)12-11-26(40)21-6-10-27(28(16-21)42-4)43-23-7-8-23;1-21-5-7-22(8-6-21)26-18-24(31(2)15-16-33-20-31)19-30(34-26)32(3,36)14-13-27(35)23-9-12-28(29(17-23)37-4)38-25-10-11-25;3*1-18-5-7-19(8-6-18)27-28-22(29(2,31)17-36-28)16-26(32-27)30(3,34)14-13-23(33)20-9-12-24(25(15-20)35-4)37-21-10-11-21/h5-6,9-10,15-18,23,38,41H,7-8,11-14,37H2,1-4H3;5-9,12,17-19,25,33,36H,10-11,13-16,20H2,1-4H3;3*5-9,12,15-16,21,34H,10-11,13-14,17,31H2,1-4H3/t;;29-,30+;29-,30-;/m..00./s1
• InChIKey: VARXSMZXWUMFDG-QOVZDAFFSA-N
• XLogP: 26.80
• TPSA: 499.08 Ų
• H-Bond Donors: 11
• H-Bond Acceptors: 34
• Rotatable Bonds: 50
• Heavy Atoms: 192
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2626.16
LogP ≤ 5	26.80
H-Bond Donors ≤ 5	11
H-Bond Acceptors ≤ 10	34

Frequently Asked Questions

What is the IUPAC name of 4-[4-[2-(2-aminoethylamino)propan-2-yl]-6-(4-fluoro-3-methylphenyl)-2-pyridinyl]-1-(4-cyclopropyloxy-3-methoxyphenyl)-5,5,5-trifluoro-4-hydroxypentan-1-one;4-[3-amino-3-methyl-7-(4-methylphenyl)-2H-furo[2,3-c]pyridin-5-yl]-1-(4-cyclopropyloxy-3-methoxyphenyl)-4-hydroxypentan-1-one;(4R)-4-[(3R)-3-amino-3-methyl-7-(4-methylphenyl)-2H-furo[2,3-c]pyridin-5-yl]-1-(4-cyclopropyloxy-3-methoxyphenyl)-4-hydroxypentan-1-one;(4S)-4-[(3R)-3-amino-3-methyl-7-(4-methylphenyl)-2H-furo[2,3-c]pyridin-5-yl]-1-(4-cyclopropyloxy-3-methoxyphenyl)-4-hydroxypentan-1-one;1-(4-cyclopropyloxy-3-methoxyphenyl)-4-hydroxy-4-[6-(4-methylphenyl)-4-(3-methylpyrrolidin-3-yl)-2-pyridinyl]pentan-1-one?

The IUPAC name of 4-[4-[2-(2-aminoethylamino)propan-2-yl]-6-(4-fluoro-3-methylphenyl)-2-pyridinyl]-1-(4-cyclopropyloxy-3-methoxyphenyl)-5,5,5-trifluoro-4-hydroxypentan-1-one;4-[3-amino-3-methyl-7-(4-methylphenyl)-2H-furo[2,3-c]pyridin-5-yl]-1-(4-cyclopropyloxy-3-methoxyphenyl)-4-hydroxypentan-1-one;(4R)-4-[(3R)-3-amino-3-methyl-7-(4-methylphenyl)-2H-furo[2,3-c]pyridin-5-yl]-1-(4-cyclopropyloxy-3-methoxyphenyl)-4-hydroxypentan-1-one;(4S)-4-[(3R)-3-amino-3-methyl-7-(4-methylphenyl)-2H-furo[2,3-c]pyridin-5-yl]-1-(4-cyclopropyloxy-3-methoxyphenyl)-4-hydroxypentan-1-one;1-(4-cyclopropyloxy-3-methoxyphenyl)-4-hydroxy-4-[6-(4-methylphenyl)-4-(3-methylpyrrolidin-3-yl)-2-pyridinyl]pentan-1-one (CID 161246475) is 4-[4-[2-(2-aminoethylamino)propan-2-yl]-6-(4-fluoro-3-methylphenyl)-2-pyridinyl]-1-(4-cyclopropyloxy-3-methoxyphenyl)-5,5,5-trifluoro-4-hydroxypentan-1-one;4-[3-amino-3-methyl-7-(4-methylphenyl)-2H-furo[2,3-c]pyridin-5-yl]-1-(4-cyclopropyloxy-3-methoxyphenyl)-4-hydroxypentan-1-one;(4R)-4-[(3R)-3-amino-3-methyl-7-(4-methylphenyl)-2H-furo[2,3-c]pyridin-5-yl]-1-(4-cyclopropyloxy-3-methoxyphenyl)-4-hydroxypentan-1-one;(4S)-4-[(3R)-3-amino-3-methyl-7-(4-methylphenyl)-2H-furo[2,3-c]pyridin-5-yl]-1-(4-cyclopropyloxy-3-methoxyphenyl)-4-hydroxypentan-1-one;1-(4-cyclopropyloxy-3-methoxyphenyl)-4-hydroxy-4-[6-(4-methylphenyl)-4-(3-methylpyrrolidin-3-yl)-2-pyridinyl]pentan-1-one.

What is the SMILES notation for 4-[4-[2-(2-aminoethylamino)propan-2-yl]-6-(4-fluoro-3-methylphenyl)-2-pyridinyl]-1-(4-cyclopropyloxy-3-methoxyphenyl)-5,5,5-trifluoro-4-hydroxypentan-1-one;4-[3-amino-3-methyl-7-(4-methylphenyl)-2H-furo[2,3-c]pyridin-5-yl]-1-(4-cyclopropyloxy-3-methoxyphenyl)-4-hydroxypentan-1-one;(4R)-4-[(3R)-3-amino-3-methyl-7-(4-methylphenyl)-2H-furo[2,3-c]pyridin-5-yl]-1-(4-cyclopropyloxy-3-methoxyphenyl)-4-hydroxypentan-1-one;(4S)-4-[(3R)-3-amino-3-methyl-7-(4-methylphenyl)-2H-furo[2,3-c]pyridin-5-yl]-1-(4-cyclopropyloxy-3-methoxyphenyl)-4-hydroxypentan-1-one;1-(4-cyclopropyloxy-3-methoxyphenyl)-4-hydroxy-4-[6-(4-methylphenyl)-4-(3-methylpyrrolidin-3-yl)-2-pyridinyl]pentan-1-one?

The canonical SMILES for 4-[4-[2-(2-aminoethylamino)propan-2-yl]-6-(4-fluoro-3-methylphenyl)-2-pyridinyl]-1-(4-cyclopropyloxy-3-methoxyphenyl)-5,5,5-trifluoro-4-hydroxypentan-1-one;4-[3-amino-3-methyl-7-(4-methylphenyl)-2H-furo[2,3-c]pyridin-5-yl]-1-(4-cyclopropyloxy-3-methoxyphenyl)-4-hydroxypentan-1-one;(4R)-4-[(3R)-3-amino-3-methyl-7-(4-methylphenyl)-2H-furo[2,3-c]pyridin-5-yl]-1-(4-cyclopropyloxy-3-methoxyphenyl)-4-hydroxypentan-1-one;(4S)-4-[(3R)-3-amino-3-methyl-7-(4-methylphenyl)-2H-furo[2,3-c]pyridin-5-yl]-1-(4-cyclopropyloxy-3-methoxyphenyl)-4-hydroxypentan-1-one;1-(4-cyclopropyloxy-3-methoxyphenyl)-4-hydroxy-4-[6-(4-methylphenyl)-4-(3-methylpyrrolidin-3-yl)-2-pyridinyl]pentan-1-one is COc1cc(C(=O)CCC(C)(O)c2cc(C3(C)CCNC3)cc(-c3ccc(C)cc3)n2)ccc1OC1CC1.COc1cc(C(=O)CCC(C)(O)c2cc3c(c(-c4ccc(C)cc4)n2)OCC3(C)N)ccc1OC1CC1.COc1cc(C(=O)CCC(O)(c2cc(C(C)(C)NCCN)cc(-c3ccc(F)c(C)c3)n2)C(F)(F)F)ccc1OC1CC1.COc1cc(C(=O)CC[C@@](C)(O)c2cc3c(c(-c4ccc(C)cc4)n2)OC[C@]3(C)N)ccc1OC1CC1.COc1cc(C(=O)CC[C@](C)(O)c2cc3c(c(-c4ccc(C)cc4)n2)OC[C@]3(C)N)ccc1OC1CC1.

What is the InChIKey of 4-[4-[2-(2-aminoethylamino)propan-2-yl]-6-(4-fluoro-3-methylphenyl)-2-pyridinyl]-1-(4-cyclopropyloxy-3-methoxyphenyl)-5,5,5-trifluoro-4-hydroxypentan-1-one;4-[3-amino-3-methyl-7-(4-methylphenyl)-2H-furo[2,3-c]pyridin-5-yl]-1-(4-cyclopropyloxy-3-methoxyphenyl)-4-hydroxypentan-1-one;(4R)-4-[(3R)-3-amino-3-methyl-7-(4-methylphenyl)-2H-furo[2,3-c]pyridin-5-yl]-1-(4-cyclopropyloxy-3-methoxyphenyl)-4-hydroxypentan-1-one;(4S)-4-[(3R)-3-amino-3-methyl-7-(4-methylphenyl)-2H-furo[2,3-c]pyridin-5-yl]-1-(4-cyclopropyloxy-3-methoxyphenyl)-4-hydroxypentan-1-one;1-(4-cyclopropyloxy-3-methoxyphenyl)-4-hydroxy-4-[6-(4-methylphenyl)-4-(3-methylpyrrolidin-3-yl)-2-pyridinyl]pentan-1-one?

The InChIKey is VARXSMZXWUMFDG-QOVZDAFFSA-N. The full InChI is InChI=1S/C32H37F4N3O4.C32H38N2O4.3C30H34N2O5/c1-19-15-20(5-9-24(19)33)25-17-22(30(2,3)38-14-13-37)18-29(39-25)31(41,32(34,35)36)12-11-26(40)21-6-10-27(28(16-21)42-4)43-23-7-8-23;1-21-5-7-22(8-6-21)26-18-24(31(2)15-16-33-20-31)19-30(34-26)32(3,36)14-13-27(35)23-9-12-28(29(17-23)37-4)38-25-10-11-25;3*1-18-5-7-19(8-6-18)27-28-22(29(2,31)17-36-28)16-26(32-27)30(3,34)14-13-23(33)20-9-12-24(25(15-20)35-4)37-21-10-11-21/h5-6,9-10,15-18,23,38,41H,7-8,11-14,37H2,1-4H3;5-9,12,17-19,25,33,36H,10-11,13-16,20H2,1-4H3;3*5-9,12,15-16,21,34H,10-11,13-14,17,31H2,1-4H3/t;;29-,30+;29-,30-;/m..00./s1.

What are the key properties of 4-[4-[2-(2-aminoethylamino)propan-2-yl]-6-(4-fluoro-3-methylphenyl)-2-pyridinyl]-1-(4-cyclopropyloxy-3-methoxyphenyl)-5,5,5-trifluoro-4-hydroxypentan-1-one;4-[3-amino-3-methyl-7-(4-methylphenyl)-2H-furo[2,3-c]pyridin-5-yl]-1-(4-cyclopropyloxy-3-methoxyphenyl)-4-hydroxypentan-1-one;(4R)-4-[(3R)-3-amino-3-methyl-7-(4-methylphenyl)-2H-furo[2,3-c]pyridin-5-yl]-1-(4-cyclopropyloxy-3-methoxyphenyl)-4-hydroxypentan-1-one;(4S)-4-[(3R)-3-amino-3-methyl-7-(4-methylphenyl)-2H-furo[2,3-c]pyridin-5-yl]-1-(4-cyclopropyloxy-3-methoxyphenyl)-4-hydroxypentan-1-one;1-(4-cyclopropyloxy-3-methoxyphenyl)-4-hydroxy-4-[6-(4-methylphenyl)-4-(3-methylpyrrolidin-3-yl)-2-pyridinyl]pentan-1-one?

4-[4-[2-(2-aminoethylamino)propan-2-yl]-6-(4-fluoro-3-methylphenyl)-2-pyridinyl]-1-(4-cyclopropyloxy-3-methoxyphenyl)-5,5,5-trifluoro-4-hydroxypentan-1-one;4-[3-amino-3-methyl-7-(4-methylphenyl)-2H-furo[2,3-c]pyridin-5-yl]-1-(4-cyclopropyloxy-3-methoxyphenyl)-4-hydroxypentan-1-one;(4R)-4-[(3R)-3-amino-3-methyl-7-(4-methylphenyl)-2H-furo[2,3-c]pyridin-5-yl]-1-(4-cyclopropyloxy-3-methoxyphenyl)-4-hydroxypentan-1-one;(4S)-4-[(3R)-3-amino-3-methyl-7-(4-methylphenyl)-2H-furo[2,3-c]pyridin-5-yl]-1-(4-cyclopropyloxy-3-methoxyphenyl)-4-hydroxypentan-1-one;1-(4-cyclopropyloxy-3-methoxyphenyl)-4-hydroxy-4-[6-(4-methylphenyl)-4-(3-methylpyrrolidin-3-yl)-2-pyridinyl]pentan-1-one has a molecular weight of 2626.16 g/mol, XLogP of 26.80, 50 rotatable bonds, 11 hydrogen bond donors, and 34 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[4-[2-(2-aminoethylamino)propan-2-yl]-6-(4-fluoro-3-methylphenyl)-2-pyridinyl]-1-(4-cyclopropyloxy-3-methoxyphenyl)-5,5,5-trifluoro-4-hydroxypentan-1-one;4-[3-amino-3-methyl-7-(4-methylphenyl)-2H-furo[2,3-c]pyridin-5-yl]-1-(4-cyclopropyloxy-3-methoxyphenyl)-4-hydroxypentan-1-one;(4R)-4-[(3R)-3-amino-3-methyl-7-(4-methylphenyl)-2H-furo[2,3-c]pyridin-5-yl]-1-(4-cyclopropyloxy-3-methoxyphenyl)-4-hydroxypentan-1-one;(4S)-4-[(3R)-3-amino-3-methyl-7-(4-methylphenyl)-2H-furo[2,3-c]pyridin-5-yl]-1-(4-cyclopropyloxy-3-methoxyphenyl)-4-hydroxypentan-1-one;1-(4-cyclopropyloxy-3-methoxyphenyl)-4-hydroxy-4-[6-(4-methylphenyl)-4-(3-methylpyrrolidin-3-yl)-2-pyridinyl]pentan-1-one is sourced from PubChem (CID 161246475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).