4-[4-(2-aminopropan-2-yl)-6-(4-fluoro-3-methylphenyl)-2-pyridinyl]-1-(3-chloro-4-cyclopropyloxyphenyl)-5,5,5-trifluoro-4-hydroxypentan-1-one;4-[4-(2-aminopropan-2-yl)-6-(4-fluoro-3-methylphenyl)-2-pyridinyl]-1-[4-(cyclopropylmethoxy)-3-methoxyphenyl]-5,5,5-trifluoro-4-hydroxypentan-1-one;(3R)-3-[4-[4-[4-(2-aminopropan-2-yl)-6-(4-fluoro-3-methylphenyl)-2-pyridinyl]-5,5,5-trifluoro-4-hydroxypentanoyl]-2-methoxyphenoxy]pyrrolidin-2-one;(3S)-3-[4-[4-[4-(2-aminopropan-2-yl)-6-(4-fluoro-3-methylphenyl)-2-pyridinyl]-5,5,5-trifluoro-4-hydroxypentanoyl]-2-methoxyphenoxy]pyrrolidin-2-one;1-[4-(2-fluoroethoxy)-3-methoxyphenyl]-4-[7-(4-fluoro-3-methylphenyl)-2,3-dihydrofuro[2,3-c]pyridin-5-yl]-4-hydroxypentan-1-one;1-[4-(2-fluoroethoxy)-3-methoxyphenyl]-4-[7-(4-fluoro-3-methylphenyl)-2,3-dihydro-1H-pyrrolo[2,3-c]pyridin-5-yl]-4-hydroxypentan-1-one

C178H188ClF20N13O26 — CID 159833269

IUPAC4-[4-(2-aminopropan-2-yl)-6-(4-fluoro-3-methylphenyl)-2-pyridinyl]-1-(3-chloro-4-cyclopropyloxyphenyl)-5,5,5-trifluoro-4-hydroxypentan-1-one;4-[4-(2-aminopropan-2-yl)-6-(4-fluoro-3-methylphenyl)-2-pyridinyl]-1-[4-(cyclopropylmethoxy)-3-methoxyphenyl]-5,5,5-trifluoro-4-hydroxypentan-1-one;(3R)-3-[4-[4-[4-(2-aminopropan-2-yl)-6-(4-fluoro-3-methylphenyl)-2-pyridinyl]-5,5,5-trifluoro-4-hydroxypentanoyl]-2-methoxyphenoxy]pyrrolidin-2-one;(3S)-3-[4-[4-[4-(2-aminopropan-2-yl)-6-(4-fluoro-3-methylphenyl)-2-pyridinyl]-5,5,5-trifluoro-4-hydroxypentanoyl]-2-methoxyphenoxy]pyrrolidin-2-one;1-[4-(2-fluoroethoxy)-3-methoxyphenyl]-4-[7-(4-fluoro-3-methylphenyl)-2,3-dihydrofuro[2,3-c]pyridin-5-yl]-4-hydroxypentan-1-one;1-[4-(2-fluoroethoxy)-3-methoxyphenyl]-4-[7-(4-fluoro-3-methylphenyl)-2,3-dihydro-1H-pyrrolo[2,3-c]pyridin-5-yl]-4-hydroxypentan-1-one
SMILESCOc1cc(C(=O)CCC(C)(O)c2cc3c(c(-c4ccc(F)c(C)c4)n2)NCC3)ccc1OCCF.COc1cc(C(=O)CCC(C)(O)c2cc3c(c(-c4ccc(F)c(C)c4)n2)OCC3)ccc1OCCF.COc1cc(C(=O)CCC(O)(c2cc(C(C)(C)N)cc(-c3ccc(F)c(C)c3)n2)C(F)(F)F)ccc1OCC1CC1.COc1cc(C(=O)CCC(O)(c2cc(C(C)(C)N)cc(-c3ccc(F)c(C)c3)n2)C(F)(F)F)ccc1O[C@@H]1CCNC1=O.COc1cc(C(=O)CCC(O)(c2cc(C(C)(C)N)cc(-c3ccc(F)c(C)c3)n2)C(F)(F)F)ccc1O[C@H]1CCNC1=O.Cc1cc(-c2cc(C(C)(C)N)cc(C(O)(CCC(=O)c3ccc(OC4CC4)c(Cl)c3)C(F)(F)F)n2)ccc1F
InChIInChI=1S/2C31H33F4N3O5.C31H34F4N2O4.C29H29ClF4N2O3.C28H30F2N2O4.C28H29F2NO5/c2*1-17-13-18(5-7-21(17)32)22-15-20(29(2,3)36)16-27(38-22)30(41,31(33,34)35)11-9-23(39)19-6-8-24(26(14-19)42-4)43-25-10-12-37-28(25)40;1-18-13-20(7-9-23(18)32)24-15-22(29(2,3)36)16-28(37-24)30(39,31(33,34)35)12-11-25(38)21-8-10-26(27(14-21)40-4)41-17-19-5-6-19;1-16-12-17(4-8-22(16)31)23-14-19(27(2,3)35)15-26(36-23)28(38,29(32,33)34)11-10-24(37)18-5-9-25(21(30)13-18)39-20-6-7-20;1-17-14-19(4-6-21(17)30)27-26-20(9-12-31-26)16-25(32-27)28(2,34)10-8-22(33)18-5-7-23(36-13-11-29)24(15-18)35-3;1-17-14-19(4-6-21(17)30)26-27-20(9-12-36-27)16-25(31-26)28(2,33)10-8-22(32)18-5-7-23(35-13-11-29)24(15-18)34-3/h2*5-8,13-16,25,41H,9-12,36H2,1-4H3,(H,37,40);7-10,13-16,19,39H,5-6,11-12,17,36H2,1-4H3;4-5,8-9,12-15,20,38H,6-7,10-11,35H2,1-3H3;4-7,14-16,31,34H,8-13H2,1-3H3;4-7,14-16,33H,8-13H2,1-3H3/t2*25-,30?;;;;/m10..../s1
InChIKeyNNSMZSKSKZWAAB-WJOCTTPESA-N
MW3340.94 g/mol
LogP34.51
Rot. Bonds60

About 4-[4-(2-aminopropan-2-yl)-6-(4-fluoro-3-methylphenyl)-2-pyridinyl]-1-(3-chloro-4-cyclopropyloxyphenyl)-5,5,5-trifluoro-4-hydroxypentan-1-one;4-[4-(2-aminopropan-2-yl)-6-(4-fluoro-3-methylphenyl)-2-pyridinyl]-1-[4-(cyclopropylmethoxy)-3-methoxyphenyl]-5,5,5-trifluoro-4-hydroxypentan-1-one;(3R)-3-[4-[4-[4-(2-aminopropan-2-yl)-6-(4-fluoro-3-methylphenyl)-2-pyridinyl]-5,5,5-trifluoro-4-hydroxypentanoyl]-2-methoxyphenoxy]pyrrolidin-2-one;(3S)-3-[4-[4-[4-(2-aminopropan-2-yl)-6-(4-fluoro-3-methylphenyl)-2-pyridinyl]-5,5,5-trifluoro-4-hydroxypentanoyl]-2-methoxyphenoxy]pyrrolidin-2-one;1-[4-(2-fluoroethoxy)-3-methoxyphenyl]-4-[7-(4-fluoro-3-methylphenyl)-2,3-dihydrofuro[2,3-c]pyridin-5-yl]-4-hydroxypentan-1-one;1-[4-(2-fluoroethoxy)-3-methoxyphenyl]-4-[7-(4-fluoro-3-methylphenyl)-2,3-dihydro-1H-pyrrolo[2,3-c]pyridin-5-yl]-4-hydroxypentan-1-one

4-[4-(2-aminopropan-2-yl)-6-(4-fluoro-3-methylphenyl)-2-pyridinyl]-1-(3-chloro-4-cyclopropyloxyphenyl)-5,5,5-trifluoro-4-hydroxypentan-1-one;4-[4-(2-aminopropan-2-yl)-6-(4-fluoro-3-methylphenyl)-2-pyridinyl]-1-[4-(cyclopropylmethoxy)-3-methoxyphenyl]-5,5,5-trifluoro-4-hydroxypentan-1-one;(3R)-3-[4-[4-[4-(2-aminopropan-2-yl)-6-(4-fluoro-3-methylphenyl)-2-pyridinyl]-5,5,5-trifluoro-4-hydroxypentanoyl]-2-methoxyphenoxy]pyrrolidin-2-one;(3S)-3-[4-[4-[4-(2-aminopropan-2-yl)-6-(4-fluoro-3-methylphenyl)-2-pyridinyl]-5,5,5-trifluoro-4-hydroxypentanoyl]-2-methoxyphenoxy]pyrrolidin-2-one;1-[4-(2-fluoroethoxy)-3-methoxyphenyl]-4-[7-(4-fluoro-3-methylphenyl)-2,3-dihydrofuro[2,3-c]pyridin-5-yl]-4-hydroxypentan-1-one;1-[4-(2-fluoroethoxy)-3-methoxyphenyl]-4-[7-(4-fluoro-3-methylphenyl)-2,3-dihydro-1H-pyrrolo[2,3-c]pyridin-5-yl]-4-hydroxypentan-1-one (PubChem CID 159833269) has the molecular formula C178H188ClF20N13O26 and a molecular weight of 3340.94 g/mol. Its IUPAC name is 4-[4-(2-aminopropan-2-yl)-6-(4-fluoro-3-methylphenyl)-2-pyridinyl]-1-(3-chloro-4-cyclopropyloxyphenyl)-5,5,5-trifluoro-4-hydroxypentan-1-one;4-[4-(2-aminopropan-2-yl)-6-(4-fluoro-3-methylphenyl)-2-pyridinyl]-1-[4-(cyclopropylmethoxy)-3-methoxyphenyl]-5,5,5-trifluoro-4-hydroxypentan-1-one;(3R)-3-[4-[4-[4-(2-aminopropan-2-yl)-6-(4-fluoro-3-methylphenyl)-2-pyridinyl]-5,5,5-trifluoro-4-hydroxypentanoyl]-2-methoxyphenoxy]pyrrolidin-2-one;(3S)-3-[4-[4-[4-(2-aminopropan-2-yl)-6-(4-fluoro-3-methylphenyl)-2-pyridinyl]-5,5,5-trifluoro-4-hydroxypentanoyl]-2-methoxyphenoxy]pyrrolidin-2-one;1-[4-(2-fluoroethoxy)-3-methoxyphenyl]-4-[7-(4-fluoro-3-methylphenyl)-2,3-dihydrofuro[2,3-c]pyridin-5-yl]-4-hydroxypentan-1-one;1-[4-(2-fluoroethoxy)-3-methoxyphenyl]-4-[7-(4-fluoro-3-methylphenyl)-2,3-dihydro-1H-pyrrolo[2,3-c]pyridin-5-yl]-4-hydroxypentan-1-one.

Molecular Properties

Compound Name4-[4-(2-aminopropan-2-yl)-6-(4-fluoro-3-methylphenyl)-2-pyridinyl]-1-(3-chloro-4-cyclopropyloxyphenyl)-5,5,5-trifluoro-4-hydroxypentan-1-one;4-[4-(2-aminopropan-2-yl)-6-(4-fluoro-3-methylphenyl)-2-pyridinyl]-1-[4-(cyclopropylmethoxy)-3-methoxyphenyl]-5,5,5-trifluoro-4-hydroxypentan-1-one;(3R)-3-[4-[4-[4-(2-aminopropan-2-yl)-6-(4-fluoro-3-methylphenyl)-2-pyridinyl]-5,5,5-trifluoro-4-hydroxypentanoyl]-2-methoxyphenoxy]pyrrolidin-2-one;(3S)-3-[4-[4-[4-(2-aminopropan-2-yl)-6-(4-fluoro-3-methylphenyl)-2-pyridinyl]-5,5,5-trifluoro-4-hydroxypentanoyl]-2-methoxyphenoxy]pyrrolidin-2-one;1-[4-(2-fluoroethoxy)-3-methoxyphenyl]-4-[7-(4-fluoro-3-methylphenyl)-2,3-dihydrofuro[2,3-c]pyridin-5-yl]-4-hydroxypentan-1-one;1-[4-(2-fluoroethoxy)-3-methoxyphenyl]-4-[7-(4-fluoro-3-methylphenyl)-2,3-dihydro-1H-pyrrolo[2,3-c]pyridin-5-yl]-4-hydroxypentan-1-one
PubChem CID159833269
Molecular FormulaC178H188ClF20N13O26
Molecular Weight3340.94 g/mol
Exact Mass3338.32
IUPAC Name4-[4-(2-aminopropan-2-yl)-6-(4-fluoro-3-methylphenyl)-2-pyridinyl]-1-(3-chloro-4-cyclopropyloxyphenyl)-5,5,5-trifluoro-4-hydroxypentan-1-one;4-[4-(2-aminopropan-2-yl)-6-(4-fluoro-3-methylphenyl)-2-pyridinyl]-1-[4-(cyclopropylmethoxy)-3-methoxyphenyl]-5,5,5-trifluoro-4-hydroxypentan-1-one;(3R)-3-[4-[4-[4-(2-aminopropan-2-yl)-6-(4-fluoro-3-methylphenyl)-2-pyridinyl]-5,5,5-trifluoro-4-hydroxypentanoyl]-2-methoxyphenoxy]pyrrolidin-2-one;(3S)-3-[4-[4-[4-(2-aminopropan-2-yl)-6-(4-fluoro-3-methylphenyl)-2-pyridinyl]-5,5,5-trifluoro-4-hydroxypentanoyl]-2-methoxyphenoxy]pyrrolidin-2-one;1-[4-(2-fluoroethoxy)-3-methoxyphenyl]-4-[7-(4-fluoro-3-methylphenyl)-2,3-dihydrofuro[2,3-c]pyridin-5-yl]-4-hydroxypentan-1-one;1-[4-(2-fluoroethoxy)-3-methoxyphenyl]-4-[7-(4-fluoro-3-methylphenyl)-2,3-dihydro-1H-pyrrolo[2,3-c]pyridin-5-yl]-4-hydroxypentan-1-one
SMILESCOc1cc(C(=O)CCC(C)(O)c2cc3c(c(-c4ccc(F)c(C)c4)n2)NCC3)ccc1OCCF.COc1cc(C(=O)CCC(C)(O)c2cc3c(c(-c4ccc(F)c(C)c4)n2)OCC3)ccc1OCCF.COc1cc(C(=O)CCC(O)(c2cc(C(C)(C)N)cc(-c3ccc(F)c(C)c3)n2)C(F)(F)F)ccc1OCC1CC1.COc1cc(C(=O)CCC(O)(c2cc(C(C)(C)N)cc(-c3ccc(F)c(C)c3)n2)C(F)(F)F)ccc1O[C@@H]1CCNC1=O.COc1cc(C(=O)CCC(O)(c2cc(C(C)(C)N)cc(-c3ccc(F)c(C)c3)n2)C(F)(F)F)ccc1O[C@H]1CCNC1=O.Cc1cc(-c2cc(C(C)(C)N)cc(C(O)(CCC(=O)c3ccc(OC4CC4)c(Cl)c3)C(F)(F)F)n2)ccc1F
InChIInChI=1S/2C31H33F4N3O5.C31H34F4N2O4.C29H29ClF4N2O3.C28H30F2N2O4.C28H29F2NO5/c2*1-17-13-18(5-7-21(17)32)22-15-20(29(2,3)36)16-27(38-22)30(41,31(33,34)35)11-9-23(39)19-6-8-24(26(14-19)42-4)43-25-10-12-37-28(25)40;1-18-13-20(7-9-23(18)32)24-15-22(29(2,3)36)16-28(37-24)30(39,31(33,34)35)12-11-25(38)21-8-10-26(27(14-21)40-4)41-17-19-5-6-19;1-16-12-17(4-8-22(16)31)23-14-19(27(2,3)35)15-26(36-23)28(38,29(32,33)34)11-10-24(37)18-5-9-25(21(30)13-18)39-20-6-7-20;1-17-14-19(4-6-21(17)30)27-26-20(9-12-31-26)16-25(32-27)28(2,34)10-8-22(33)18-5-7-23(36-13-11-29)24(15-18)35-3;1-17-14-19(4-6-21(17)30)26-27-20(9-12-36-27)16-25(31-26)28(2,33)10-8-22(32)18-5-7-23(35-13-11-29)24(15-18)34-3/h2*5-8,13-16,25,41H,9-12,36H2,1-4H3,(H,37,40);7-10,13-16,19,39H,5-6,11-12,17,36H2,1-4H3;4-5,8-9,12-15,20,38H,6-7,10-11,35H2,1-3H3;4-7,14-16,31,34H,8-13H2,1-3H3;4-7,14-16,33H,8-13H2,1-3H3/t2*25-,30?;;;;/m10..../s1
InChIKeyNNSMZSKSKZWAAB-WJOCTTPESA-N
XLogP34.51
TPSA586.21 Ų
H-Bond Donors13
H-Bond Acceptors37
Rotatable Bonds60
Heavy Atoms238
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003340.94
LogP ≤ 534.51
H-Bond Donors ≤ 513
H-Bond Acceptors ≤ 1037

Analyze 4-[4-(2-aminopropan-2-yl)-6-(4-fluoro-3-methylphenyl)-2-pyridinyl]-1-(3-chloro-4-cyclopropyloxyphenyl)-5,5,5-trifluoro-4-hydroxypentan-1-one;4-[4-(2-aminopropan-2-yl)-6-(4-fluoro-3-methylphenyl)-2-pyridinyl]-1-[4-(cyclopropylmethoxy)-3-methoxyphenyl]-5,5,5-trifluoro-4-hydroxypentan-1-one;(3R)-3-[4-[4-[4-(2-aminopropan-2-yl)-6-(4-fluoro-3-methylphenyl)-2-pyridinyl]-5,5,5-trifluoro-4-hydroxypentanoyl]-2-methoxyphenoxy]pyrrolidin-2-one;(3S)-3-[4-[4-[4-(2-aminopropan-2-yl)-6-(4-fluoro-3-methylphenyl)-2-pyridinyl]-5,5,5-trifluoro-4-hydroxypentanoyl]-2-methoxyphenoxy]pyrrolidin-2-one;1-[4-(2-fluoroethoxy)-3-methoxyphenyl]-4-[7-(4-fluoro-3-methylphenyl)-2,3-dihydrofuro[2,3-c]pyridin-5-yl]-4-hydroxypentan-1-one;1-[4-(2-fluoroethoxy)-3-methoxyphenyl]-4-[7-(4-fluoro-3-methylphenyl)-2,3-dihydro-1H-pyrrolo[2,3-c]pyridin-5-yl]-4-hydroxypentan-1-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(2-aminopropan-2-yl)-6-(4-fluoro-3-methylphenyl)-2-pyridinyl]-1-(3-chloro-4-cyclopropyloxyphenyl)-5,5,5-trifluoro-4-hydroxypentan-1-one;4-[4-(2-aminopropan-2-yl)-6-(4-fluoro-3-methylphenyl)-2-pyridinyl]-1-[4-(cyclopropylmethoxy)-3-methoxyphenyl]-5,5,5-trifluoro-4-hydroxypentan-1-one;(3R)-3-[4-[4-[4-(2-aminopropan-2-yl)-6-(4-fluoro-3-methylphenyl)-2-pyridinyl]-5,5,5-trifluoro-4-hydroxypentanoyl]-2-methoxyphenoxy]pyrrolidin-2-one;(3S)-3-[4-[4-[4-(2-aminopropan-2-yl)-6-(4-fluoro-3-methylphenyl)-2-pyridinyl]-5,5,5-trifluoro-4-hydroxypentanoyl]-2-methoxyphenoxy]pyrrolidin-2-one;1-[4-(2-fluoroethoxy)-3-methoxyphenyl]-4-[7-(4-fluoro-3-methylphenyl)-2,3-dihydrofuro[2,3-c]pyridin-5-yl]-4-hydroxypentan-1-one;1-[4-(2-fluoroethoxy)-3-methoxyphenyl]-4-[7-(4-fluoro-3-methylphenyl)-2,3-dihydro-1H-pyrrolo[2,3-c]pyridin-5-yl]-4-hydroxypentan-1-one?
The IUPAC name of 4-[4-(2-aminopropan-2-yl)-6-(4-fluoro-3-methylphenyl)-2-pyridinyl]-1-(3-chloro-4-cyclopropyloxyphenyl)-5,5,5-trifluoro-4-hydroxypentan-1-one;4-[4-(2-aminopropan-2-yl)-6-(4-fluoro-3-methylphenyl)-2-pyridinyl]-1-[4-(cyclopropylmethoxy)-3-methoxyphenyl]-5,5,5-trifluoro-4-hydroxypentan-1-one;(3R)-3-[4-[4-[4-(2-aminopropan-2-yl)-6-(4-fluoro-3-methylphenyl)-2-pyridinyl]-5,5,5-trifluoro-4-hydroxypentanoyl]-2-methoxyphenoxy]pyrrolidin-2-one;(3S)-3-[4-[4-[4-(2-aminopropan-2-yl)-6-(4-fluoro-3-methylphenyl)-2-pyridinyl]-5,5,5-trifluoro-4-hydroxypentanoyl]-2-methoxyphenoxy]pyrrolidin-2-one;1-[4-(2-fluoroethoxy)-3-methoxyphenyl]-4-[7-(4-fluoro-3-methylphenyl)-2,3-dihydrofuro[2,3-c]pyridin-5-yl]-4-hydroxypentan-1-one;1-[4-(2-fluoroethoxy)-3-methoxyphenyl]-4-[7-(4-fluoro-3-methylphenyl)-2,3-dihydro-1H-pyrrolo[2,3-c]pyridin-5-yl]-4-hydroxypentan-1-one (CID 159833269) is 4-[4-(2-aminopropan-2-yl)-6-(4-fluoro-3-methylphenyl)-2-pyridinyl]-1-(3-chloro-4-cyclopropyloxyphenyl)-5,5,5-trifluoro-4-hydroxypentan-1-one;4-[4-(2-aminopropan-2-yl)-6-(4-fluoro-3-methylphenyl)-2-pyridinyl]-1-[4-(cyclopropylmethoxy)-3-methoxyphenyl]-5,5,5-trifluoro-4-hydroxypentan-1-one;(3R)-3-[4-[4-[4-(2-aminopropan-2-yl)-6-(4-fluoro-3-methylphenyl)-2-pyridinyl]-5,5,5-trifluoro-4-hydroxypentanoyl]-2-methoxyphenoxy]pyrrolidin-2-one;(3S)-3-[4-[4-[4-(2-aminopropan-2-yl)-6-(4-fluoro-3-methylphenyl)-2-pyridinyl]-5,5,5-trifluoro-4-hydroxypentanoyl]-2-methoxyphenoxy]pyrrolidin-2-one;1-[4-(2-fluoroethoxy)-3-methoxyphenyl]-4-[7-(4-fluoro-3-methylphenyl)-2,3-dihydrofuro[2,3-c]pyridin-5-yl]-4-hydroxypentan-1-one;1-[4-(2-fluoroethoxy)-3-methoxyphenyl]-4-[7-(4-fluoro-3-methylphenyl)-2,3-dihydro-1H-pyrrolo[2,3-c]pyridin-5-yl]-4-hydroxypentan-1-one.
What is the SMILES notation for 4-[4-(2-aminopropan-2-yl)-6-(4-fluoro-3-methylphenyl)-2-pyridinyl]-1-(3-chloro-4-cyclopropyloxyphenyl)-5,5,5-trifluoro-4-hydroxypentan-1-one;4-[4-(2-aminopropan-2-yl)-6-(4-fluoro-3-methylphenyl)-2-pyridinyl]-1-[4-(cyclopropylmethoxy)-3-methoxyphenyl]-5,5,5-trifluoro-4-hydroxypentan-1-one;(3R)-3-[4-[4-[4-(2-aminopropan-2-yl)-6-(4-fluoro-3-methylphenyl)-2-pyridinyl]-5,5,5-trifluoro-4-hydroxypentanoyl]-2-methoxyphenoxy]pyrrolidin-2-one;(3S)-3-[4-[4-[4-(2-aminopropan-2-yl)-6-(4-fluoro-3-methylphenyl)-2-pyridinyl]-5,5,5-trifluoro-4-hydroxypentanoyl]-2-methoxyphenoxy]pyrrolidin-2-one;1-[4-(2-fluoroethoxy)-3-methoxyphenyl]-4-[7-(4-fluoro-3-methylphenyl)-2,3-dihydrofuro[2,3-c]pyridin-5-yl]-4-hydroxypentan-1-one;1-[4-(2-fluoroethoxy)-3-methoxyphenyl]-4-[7-(4-fluoro-3-methylphenyl)-2,3-dihydro-1H-pyrrolo[2,3-c]pyridin-5-yl]-4-hydroxypentan-1-one?
The canonical SMILES for 4-[4-(2-aminopropan-2-yl)-6-(4-fluoro-3-methylphenyl)-2-pyridinyl]-1-(3-chloro-4-cyclopropyloxyphenyl)-5,5,5-trifluoro-4-hydroxypentan-1-one;4-[4-(2-aminopropan-2-yl)-6-(4-fluoro-3-methylphenyl)-2-pyridinyl]-1-[4-(cyclopropylmethoxy)-3-methoxyphenyl]-5,5,5-trifluoro-4-hydroxypentan-1-one;(3R)-3-[4-[4-[4-(2-aminopropan-2-yl)-6-(4-fluoro-3-methylphenyl)-2-pyridinyl]-5,5,5-trifluoro-4-hydroxypentanoyl]-2-methoxyphenoxy]pyrrolidin-2-one;(3S)-3-[4-[4-[4-(2-aminopropan-2-yl)-6-(4-fluoro-3-methylphenyl)-2-pyridinyl]-5,5,5-trifluoro-4-hydroxypentanoyl]-2-methoxyphenoxy]pyrrolidin-2-one;1-[4-(2-fluoroethoxy)-3-methoxyphenyl]-4-[7-(4-fluoro-3-methylphenyl)-2,3-dihydrofuro[2,3-c]pyridin-5-yl]-4-hydroxypentan-1-one;1-[4-(2-fluoroethoxy)-3-methoxyphenyl]-4-[7-(4-fluoro-3-methylphenyl)-2,3-dihydro-1H-pyrrolo[2,3-c]pyridin-5-yl]-4-hydroxypentan-1-one is COc1cc(C(=O)CCC(C)(O)c2cc3c(c(-c4ccc(F)c(C)c4)n2)NCC3)ccc1OCCF.COc1cc(C(=O)CCC(C)(O)c2cc3c(c(-c4ccc(F)c(C)c4)n2)OCC3)ccc1OCCF.COc1cc(C(=O)CCC(O)(c2cc(C(C)(C)N)cc(-c3ccc(F)c(C)c3)n2)C(F)(F)F)ccc1OCC1CC1.COc1cc(C(=O)CCC(O)(c2cc(C(C)(C)N)cc(-c3ccc(F)c(C)c3)n2)C(F)(F)F)ccc1O[C@@H]1CCNC1=O.COc1cc(C(=O)CCC(O)(c2cc(C(C)(C)N)cc(-c3ccc(F)c(C)c3)n2)C(F)(F)F)ccc1O[C@H]1CCNC1=O.Cc1cc(-c2cc(C(C)(C)N)cc(C(O)(CCC(=O)c3ccc(OC4CC4)c(Cl)c3)C(F)(F)F)n2)ccc1F.
What is the InChIKey of 4-[4-(2-aminopropan-2-yl)-6-(4-fluoro-3-methylphenyl)-2-pyridinyl]-1-(3-chloro-4-cyclopropyloxyphenyl)-5,5,5-trifluoro-4-hydroxypentan-1-one;4-[4-(2-aminopropan-2-yl)-6-(4-fluoro-3-methylphenyl)-2-pyridinyl]-1-[4-(cyclopropylmethoxy)-3-methoxyphenyl]-5,5,5-trifluoro-4-hydroxypentan-1-one;(3R)-3-[4-[4-[4-(2-aminopropan-2-yl)-6-(4-fluoro-3-methylphenyl)-2-pyridinyl]-5,5,5-trifluoro-4-hydroxypentanoyl]-2-methoxyphenoxy]pyrrolidin-2-one;(3S)-3-[4-[4-[4-(2-aminopropan-2-yl)-6-(4-fluoro-3-methylphenyl)-2-pyridinyl]-5,5,5-trifluoro-4-hydroxypentanoyl]-2-methoxyphenoxy]pyrrolidin-2-one;1-[4-(2-fluoroethoxy)-3-methoxyphenyl]-4-[7-(4-fluoro-3-methylphenyl)-2,3-dihydrofuro[2,3-c]pyridin-5-yl]-4-hydroxypentan-1-one;1-[4-(2-fluoroethoxy)-3-methoxyphenyl]-4-[7-(4-fluoro-3-methylphenyl)-2,3-dihydro-1H-pyrrolo[2,3-c]pyridin-5-yl]-4-hydroxypentan-1-one?
The InChIKey is NNSMZSKSKZWAAB-WJOCTTPESA-N. The full InChI is InChI=1S/2C31H33F4N3O5.C31H34F4N2O4.C29H29ClF4N2O3.C28H30F2N2O4.C28H29F2NO5/c2*1-17-13-18(5-7-21(17)32)22-15-20(29(2,3)36)16-27(38-22)30(41,31(33,34)35)11-9-23(39)19-6-8-24(26(14-19)42-4)43-25-10-12-37-28(25)40;1-18-13-20(7-9-23(18)32)24-15-22(29(2,3)36)16-28(37-24)30(39,31(33,34)35)12-11-25(38)21-8-10-26(27(14-21)40-4)41-17-19-5-6-19;1-16-12-17(4-8-22(16)31)23-14-19(27(2,3)35)15-26(36-23)28(38,29(32,33)34)11-10-24(37)18-5-9-25(21(30)13-18)39-20-6-7-20;1-17-14-19(4-6-21(17)30)27-26-20(9-12-31-26)16-25(32-27)28(2,34)10-8-22(33)18-5-7-23(36-13-11-29)24(15-18)35-3;1-17-14-19(4-6-21(17)30)26-27-20(9-12-36-27)16-25(31-26)28(2,33)10-8-22(32)18-5-7-23(35-13-11-29)24(15-18)34-3/h2*5-8,13-16,25,41H,9-12,36H2,1-4H3,(H,37,40);7-10,13-16,19,39H,5-6,11-12,17,36H2,1-4H3;4-5,8-9,12-15,20,38H,6-7,10-11,35H2,1-3H3;4-7,14-16,31,34H,8-13H2,1-3H3;4-7,14-16,33H,8-13H2,1-3H3/t2*25-,30?;;;;/m10..../s1.
What are the key properties of 4-[4-(2-aminopropan-2-yl)-6-(4-fluoro-3-methylphenyl)-2-pyridinyl]-1-(3-chloro-4-cyclopropyloxyphenyl)-5,5,5-trifluoro-4-hydroxypentan-1-one;4-[4-(2-aminopropan-2-yl)-6-(4-fluoro-3-methylphenyl)-2-pyridinyl]-1-[4-(cyclopropylmethoxy)-3-methoxyphenyl]-5,5,5-trifluoro-4-hydroxypentan-1-one;(3R)-3-[4-[4-[4-(2-aminopropan-2-yl)-6-(4-fluoro-3-methylphenyl)-2-pyridinyl]-5,5,5-trifluoro-4-hydroxypentanoyl]-2-methoxyphenoxy]pyrrolidin-2-one;(3S)-3-[4-[4-[4-(2-aminopropan-2-yl)-6-(4-fluoro-3-methylphenyl)-2-pyridinyl]-5,5,5-trifluoro-4-hydroxypentanoyl]-2-methoxyphenoxy]pyrrolidin-2-one;1-[4-(2-fluoroethoxy)-3-methoxyphenyl]-4-[7-(4-fluoro-3-methylphenyl)-2,3-dihydrofuro[2,3-c]pyridin-5-yl]-4-hydroxypentan-1-one;1-[4-(2-fluoroethoxy)-3-methoxyphenyl]-4-[7-(4-fluoro-3-methylphenyl)-2,3-dihydro-1H-pyrrolo[2,3-c]pyridin-5-yl]-4-hydroxypentan-1-one?
4-[4-(2-aminopropan-2-yl)-6-(4-fluoro-3-methylphenyl)-2-pyridinyl]-1-(3-chloro-4-cyclopropyloxyphenyl)-5,5,5-trifluoro-4-hydroxypentan-1-one;4-[4-(2-aminopropan-2-yl)-6-(4-fluoro-3-methylphenyl)-2-pyridinyl]-1-[4-(cyclopropylmethoxy)-3-methoxyphenyl]-5,5,5-trifluoro-4-hydroxypentan-1-one;(3R)-3-[4-[4-[4-(2-aminopropan-2-yl)-6-(4-fluoro-3-methylphenyl)-2-pyridinyl]-5,5,5-trifluoro-4-hydroxypentanoyl]-2-methoxyphenoxy]pyrrolidin-2-one;(3S)-3-[4-[4-[4-(2-aminopropan-2-yl)-6-(4-fluoro-3-methylphenyl)-2-pyridinyl]-5,5,5-trifluoro-4-hydroxypentanoyl]-2-methoxyphenoxy]pyrrolidin-2-one;1-[4-(2-fluoroethoxy)-3-methoxyphenyl]-4-[7-(4-fluoro-3-methylphenyl)-2,3-dihydrofuro[2,3-c]pyridin-5-yl]-4-hydroxypentan-1-one;1-[4-(2-fluoroethoxy)-3-methoxyphenyl]-4-[7-(4-fluoro-3-methylphenyl)-2,3-dihydro-1H-pyrrolo[2,3-c]pyridin-5-yl]-4-hydroxypentan-1-one has a molecular weight of 3340.94 g/mol, XLogP of 34.51, 60 rotatable bonds, 13 hydrogen bond donors, and 37 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2-aminopropan-2-yl)-6-(4-fluoro-3-methylphenyl)-2-pyridinyl]-1-(3-chloro-4-cyclopropyloxyphenyl)-5,5,5-trifluoro-4-hydroxypentan-1-one;4-[4-(2-aminopropan-2-yl)-6-(4-fluoro-3-methylphenyl)-2-pyridinyl]-1-[4-(cyclopropylmethoxy)-3-methoxyphenyl]-5,5,5-trifluoro-4-hydroxypentan-1-one;(3R)-3-[4-[4-[4-(2-aminopropan-2-yl)-6-(4-fluoro-3-methylphenyl)-2-pyridinyl]-5,5,5-trifluoro-4-hydroxypentanoyl]-2-methoxyphenoxy]pyrrolidin-2-one;(3S)-3-[4-[4-[4-(2-aminopropan-2-yl)-6-(4-fluoro-3-methylphenyl)-2-pyridinyl]-5,5,5-trifluoro-4-hydroxypentanoyl]-2-methoxyphenoxy]pyrrolidin-2-one;1-[4-(2-fluoroethoxy)-3-methoxyphenyl]-4-[7-(4-fluoro-3-methylphenyl)-2,3-dihydrofuro[2,3-c]pyridin-5-yl]-4-hydroxypentan-1-one;1-[4-(2-fluoroethoxy)-3-methoxyphenyl]-4-[7-(4-fluoro-3-methylphenyl)-2,3-dihydro-1H-pyrrolo[2,3-c]pyridin-5-yl]-4-hydroxypentan-1-one is sourced from PubChem (CID 159833269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).