4-cyclopropyl-4-[8-[4-fluoro-3-(1-fluoroethyl)phenyl]-4,4-dimethyl-2,3-dihydropyrano[2,3-c]pyridin-6-yl]-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]butan-1-one;4-cyclopropyl-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]-4-[7-(7-methyl-1H-indol-3-yl)-2,3-dihydro-1H-pyrrolo[2,3-c]pyridin-5-yl]butan-1-one;(4S)-1-(4-cyclopropyloxy-3-methoxyphenyl)-5,5,5-trifluoro-4-[7-(4-fluoro-3-methylphenyl)-3,3-dimethyl-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxypentan-1-one;(4R)-1-(4-cyclopropyloxy-3-methoxyphenyl)-5,5,5-trifluoro-4-[7-(4-fluoro-3-methylphenyl)-3,3-dimethyl-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxypentan-1-one;(4R)-1-[4-(2-fluoroethoxy)-3-methoxyphenyl]-4-[7-(4-fluoro-3-methylphenyl)-1H-pyrrolo[2,3-c]pyridin-5-yl]-4-hydroxypentan-1-one;4-fluoro-4-[8-[4-fluoro-3-(1-fluoroethyl)phenyl]-4,4-dimethyl-2,3-dihydropyrano[2,3-c]pyridin-6-yl]-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]pentan-1-one

C188H200F15N9O30 — CID 160784337

IUPAC4-cyclopropyl-4-[8-[4-fluoro-3-(1-fluoroethyl)phenyl]-4,4-dimethyl-2,3-dihydropyrano[2,3-c]pyridin-6-yl]-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]butan-1-one;4-cyclopropyl-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]-4-[7-(7-methyl-1H-indol-3-yl)-2,3-dihydro-1H-pyrrolo[2,3-c]pyridin-5-yl]butan-1-one;(4S)-1-(4-cyclopropyloxy-3-methoxyphenyl)-5,5,5-trifluoro-4-[7-(4-fluoro-3-methylphenyl)-3,3-dimethyl-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxypentan-1-one;(4R)-1-(4-cyclopropyloxy-3-methoxyphenyl)-5,5,5-trifluoro-4-[7-(4-fluoro-3-methylphenyl)-3,3-dimethyl-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxypentan-1-one;(4R)-1-[4-(2-fluoroethoxy)-3-methoxyphenyl]-4-[7-(4-fluoro-3-methylphenyl)-1H-pyrrolo[2,3-c]pyridin-5-yl]-4-hydroxypentan-1-one;4-fluoro-4-[8-[4-fluoro-3-(1-fluoroethyl)phenyl]-4,4-dimethyl-2,3-dihydropyrano[2,3-c]pyridin-6-yl]-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]pentan-1-one
SMILESCOc1cc(C(=O)CCC(C)(F)c2cc3c(c(-c4ccc(F)c(C(C)F)c4)n2)OCCC3(C)C)ccc1OCCO.COc1cc(C(=O)CCC(O)(c2cc3c(c(-c4c[nH]c5c(C)cccc45)n2)NCC3)C2CC2)ccc1OCCO.COc1cc(C(=O)CCC(O)(c2cc3c(c(-c4ccc(F)c(C(C)F)c4)n2)OCCC3(C)C)C2CC2)ccc1OCCO.COc1cc(C(=O)CC[C@@](C)(O)c2cc3cc[nH]c3c(-c3ccc(F)c(C)c3)n2)ccc1OCCF.COc1cc(C(=O)CC[C@@](O)(c2cc3c(c(-c4ccc(F)c(C)c4)n2)OCC3(C)C)C(F)(F)F)ccc1OC1CC1.COc1cc(C(=O)CC[C@](O)(c2cc3c(c(-c4ccc(F)c(C)c4)n2)OCC3(C)C)C(F)(F)F)ccc1OC1CC1
InChIInChI=1S/C34H39F2NO6.C32H36F3NO5.C32H35N3O5.2C31H31F4NO5.C28H28F2N2O4/c1-20(35)24-17-22(5-9-26(24)36)31-32-25(33(2,3)13-15-43-32)19-30(37-31)34(40,23-7-8-23)12-11-27(39)21-6-10-28(42-16-14-38)29(18-21)41-4;1-19(33)22-16-21(6-8-24(22)34)29-30-23(31(2,3)12-14-41-30)18-28(36-29)32(4,35)11-10-25(38)20-7-9-26(40-15-13-37)27(17-20)39-5;1-19-4-3-5-23-24(18-34-29(19)23)31-30-21(11-13-33-30)17-28(35-31)32(38,22-7-8-22)12-10-25(37)20-6-9-26(40-15-14-36)27(16-20)39-2;2*1-17-13-19(5-9-22(17)32)27-28-21(29(2,3)16-40-28)15-26(36-27)30(38,31(33,34)35)12-11-23(37)18-6-10-24(25(14-18)39-4)41-20-7-8-20;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/h5-6,9-10,17-20,23,38,40H,7-8,11-16H2,1-4H3;6-9,16-19,37H,10-15H2,1-5H3;3-6,9,16-18,22,33-34,36,38H,7-8,10-15H2,1-2H3;2*5-6,9-10,13-15,20,38H,7-8,11-12,16H2,1-4H3;4-7,9,12,14-16,31,34H,8,10-11,13H2,1-3H3/t;;;2*30-;28-/m...101/s1
InChIKeySAZUSZYJRVHLRH-CGHXMKBCSA-N
MW3350.67 g/mol
LogP38.53
Rot. Bonds62

About 4-cyclopropyl-4-[8-[4-fluoro-3-(1-fluoroethyl)phenyl]-4,4-dimethyl-2,3-dihydropyrano[2,3-c]pyridin-6-yl]-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]butan-1-one;4-cyclopropyl-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]-4-[7-(7-methyl-1H-indol-3-yl)-2,3-dihydro-1H-pyrrolo[2,3-c]pyridin-5-yl]butan-1-one;(4S)-1-(4-cyclopropyloxy-3-methoxyphenyl)-5,5,5-trifluoro-4-[7-(4-fluoro-3-methylphenyl)-3,3-dimethyl-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxypentan-1-one;(4R)-1-(4-cyclopropyloxy-3-methoxyphenyl)-5,5,5-trifluoro-4-[7-(4-fluoro-3-methylphenyl)-3,3-dimethyl-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxypentan-1-one;(4R)-1-[4-(2-fluoroethoxy)-3-methoxyphenyl]-4-[7-(4-fluoro-3-methylphenyl)-1H-pyrrolo[2,3-c]pyridin-5-yl]-4-hydroxypentan-1-one;4-fluoro-4-[8-[4-fluoro-3-(1-fluoroethyl)phenyl]-4,4-dimethyl-2,3-dihydropyrano[2,3-c]pyridin-6-yl]-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]pentan-1-one

4-cyclopropyl-4-[8-[4-fluoro-3-(1-fluoroethyl)phenyl]-4,4-dimethyl-2,3-dihydropyrano[2,3-c]pyridin-6-yl]-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]butan-1-one;4-cyclopropyl-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]-4-[7-(7-methyl-1H-indol-3-yl)-2,3-dihydro-1H-pyrrolo[2,3-c]pyridin-5-yl]butan-1-one;(4S)-1-(4-cyclopropyloxy-3-methoxyphenyl)-5,5,5-trifluoro-4-[7-(4-fluoro-3-methylphenyl)-3,3-dimethyl-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxypentan-1-one;(4R)-1-(4-cyclopropyloxy-3-methoxyphenyl)-5,5,5-trifluoro-4-[7-(4-fluoro-3-methylphenyl)-3,3-dimethyl-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxypentan-1-one;(4R)-1-[4-(2-fluoroethoxy)-3-methoxyphenyl]-4-[7-(4-fluoro-3-methylphenyl)-1H-pyrrolo[2,3-c]pyridin-5-yl]-4-hydroxypentan-1-one;4-fluoro-4-[8-[4-fluoro-3-(1-fluoroethyl)phenyl]-4,4-dimethyl-2,3-dihydropyrano[2,3-c]pyridin-6-yl]-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]pentan-1-one (PubChem CID 160784337) has the molecular formula C188H200F15N9O30 and a molecular weight of 3350.67 g/mol. Its IUPAC name is 4-cyclopropyl-4-[8-[4-fluoro-3-(1-fluoroethyl)phenyl]-4,4-dimethyl-2,3-dihydropyrano[2,3-c]pyridin-6-yl]-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]butan-1-one;4-cyclopropyl-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]-4-[7-(7-methyl-1H-indol-3-yl)-2,3-dihydro-1H-pyrrolo[2,3-c]pyridin-5-yl]butan-1-one;(4S)-1-(4-cyclopropyloxy-3-methoxyphenyl)-5,5,5-trifluoro-4-[7-(4-fluoro-3-methylphenyl)-3,3-dimethyl-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxypentan-1-one;(4R)-1-(4-cyclopropyloxy-3-methoxyphenyl)-5,5,5-trifluoro-4-[7-(4-fluoro-3-methylphenyl)-3,3-dimethyl-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxypentan-1-one;(4R)-1-[4-(2-fluoroethoxy)-3-methoxyphenyl]-4-[7-(4-fluoro-3-methylphenyl)-1H-pyrrolo[2,3-c]pyridin-5-yl]-4-hydroxypentan-1-one;4-fluoro-4-[8-[4-fluoro-3-(1-fluoroethyl)phenyl]-4,4-dimethyl-2,3-dihydropyrano[2,3-c]pyridin-6-yl]-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]pentan-1-one.

Molecular Properties

Compound Name4-cyclopropyl-4-[8-[4-fluoro-3-(1-fluoroethyl)phenyl]-4,4-dimethyl-2,3-dihydropyrano[2,3-c]pyridin-6-yl]-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]butan-1-one;4-cyclopropyl-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]-4-[7-(7-methyl-1H-indol-3-yl)-2,3-dihydro-1H-pyrrolo[2,3-c]pyridin-5-yl]butan-1-one;(4S)-1-(4-cyclopropyloxy-3-methoxyphenyl)-5,5,5-trifluoro-4-[7-(4-fluoro-3-methylphenyl)-3,3-dimethyl-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxypentan-1-one;(4R)-1-(4-cyclopropyloxy-3-methoxyphenyl)-5,5,5-trifluoro-4-[7-(4-fluoro-3-methylphenyl)-3,3-dimethyl-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxypentan-1-one;(4R)-1-[4-(2-fluoroethoxy)-3-methoxyphenyl]-4-[7-(4-fluoro-3-methylphenyl)-1H-pyrrolo[2,3-c]pyridin-5-yl]-4-hydroxypentan-1-one;4-fluoro-4-[8-[4-fluoro-3-(1-fluoroethyl)phenyl]-4,4-dimethyl-2,3-dihydropyrano[2,3-c]pyridin-6-yl]-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]pentan-1-one
PubChem CID160784337
Molecular FormulaC188H200F15N9O30
Molecular Weight3350.67 g/mol
Exact Mass3348.42
IUPAC Name4-cyclopropyl-4-[8-[4-fluoro-3-(1-fluoroethyl)phenyl]-4,4-dimethyl-2,3-dihydropyrano[2,3-c]pyridin-6-yl]-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]butan-1-one;4-cyclopropyl-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]-4-[7-(7-methyl-1H-indol-3-yl)-2,3-dihydro-1H-pyrrolo[2,3-c]pyridin-5-yl]butan-1-one;(4S)-1-(4-cyclopropyloxy-3-methoxyphenyl)-5,5,5-trifluoro-4-[7-(4-fluoro-3-methylphenyl)-3,3-dimethyl-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxypentan-1-one;(4R)-1-(4-cyclopropyloxy-3-methoxyphenyl)-5,5,5-trifluoro-4-[7-(4-fluoro-3-methylphenyl)-3,3-dimethyl-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxypentan-1-one;(4R)-1-[4-(2-fluoroethoxy)-3-methoxyphenyl]-4-[7-(4-fluoro-3-methylphenyl)-1H-pyrrolo[2,3-c]pyridin-5-yl]-4-hydroxypentan-1-one;4-fluoro-4-[8-[4-fluoro-3-(1-fluoroethyl)phenyl]-4,4-dimethyl-2,3-dihydropyrano[2,3-c]pyridin-6-yl]-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]pentan-1-one
SMILESCOc1cc(C(=O)CCC(C)(F)c2cc3c(c(-c4ccc(F)c(C(C)F)c4)n2)OCCC3(C)C)ccc1OCCO.COc1cc(C(=O)CCC(O)(c2cc3c(c(-c4c[nH]c5c(C)cccc45)n2)NCC3)C2CC2)ccc1OCCO.COc1cc(C(=O)CCC(O)(c2cc3c(c(-c4ccc(F)c(C(C)F)c4)n2)OCCC3(C)C)C2CC2)ccc1OCCO.COc1cc(C(=O)CC[C@@](C)(O)c2cc3cc[nH]c3c(-c3ccc(F)c(C)c3)n2)ccc1OCCF.COc1cc(C(=O)CC[C@@](O)(c2cc3c(c(-c4ccc(F)c(C)c4)n2)OCC3(C)C)C(F)(F)F)ccc1OC1CC1.COc1cc(C(=O)CC[C@](O)(c2cc3c(c(-c4ccc(F)c(C)c4)n2)OCC3(C)C)C(F)(F)F)ccc1OC1CC1
InChIInChI=1S/C34H39F2NO6.C32H36F3NO5.C32H35N3O5.2C31H31F4NO5.C28H28F2N2O4/c1-20(35)24-17-22(5-9-26(24)36)31-32-25(33(2,3)13-15-43-32)19-30(37-31)34(40,23-7-8-23)12-11-27(39)21-6-10-28(42-16-14-38)29(18-21)41-4;1-19(33)22-16-21(6-8-24(22)34)29-30-23(31(2,3)12-14-41-30)18-28(36-29)32(4,35)11-10-25(38)20-7-9-26(40-15-13-37)27(17-20)39-5;1-19-4-3-5-23-24(18-34-29(19)23)31-30-21(11-13-33-30)17-28(35-31)32(38,22-7-8-22)12-10-25(37)20-6-9-26(40-15-14-36)27(16-20)39-2;2*1-17-13-19(5-9-22(17)32)27-28-21(29(2,3)16-40-28)15-26(36-27)30(38,31(33,34)35)12-11-23(37)18-6-10-24(25(14-18)39-4)41-20-7-8-20;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/h5-6,9-10,17-20,23,38,40H,7-8,11-16H2,1-4H3;6-9,16-19,37H,10-15H2,1-5H3;3-6,9,16-18,22,33-34,36,38H,7-8,10-15H2,1-2H3;2*5-6,9-10,13-15,20,38H,7-8,11-12,16H2,1-4H3;4-7,9,12,14-16,31,34H,8,10-11,13H2,1-3H3/t;;;2*30-;28-/m...101/s1
InChIKeySAZUSZYJRVHLRH-CGHXMKBCSA-N
XLogP38.53
TPSA532.89 Ų
H-Bond Donors11
H-Bond Acceptors37
Rotatable Bonds62
Heavy Atoms242
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003350.67
LogP ≤ 538.53
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1037

Analyze 4-cyclopropyl-4-[8-[4-fluoro-3-(1-fluoroethyl)phenyl]-4,4-dimethyl-2,3-dihydropyrano[2,3-c]pyridin-6-yl]-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]butan-1-one;4-cyclopropyl-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]-4-[7-(7-methyl-1H-indol-3-yl)-2,3-dihydro-1H-pyrrolo[2,3-c]pyridin-5-yl]butan-1-one;(4S)-1-(4-cyclopropyloxy-3-methoxyphenyl)-5,5,5-trifluoro-4-[7-(4-fluoro-3-methylphenyl)-3,3-dimethyl-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxypentan-1-one;(4R)-1-(4-cyclopropyloxy-3-methoxyphenyl)-5,5,5-trifluoro-4-[7-(4-fluoro-3-methylphenyl)-3,3-dimethyl-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxypentan-1-one;(4R)-1-[4-(2-fluoroethoxy)-3-methoxyphenyl]-4-[7-(4-fluoro-3-methylphenyl)-1H-pyrrolo[2,3-c]pyridin-5-yl]-4-hydroxypentan-1-one;4-fluoro-4-[8-[4-fluoro-3-(1-fluoroethyl)phenyl]-4,4-dimethyl-2,3-dihydropyrano[2,3-c]pyridin-6-yl]-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]pentan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Frequently Asked Questions

What is the IUPAC name of 4-cyclopropyl-4-[8-[4-fluoro-3-(1-fluoroethyl)phenyl]-4,4-dimethyl-2,3-dihydropyrano[2,3-c]pyridin-6-yl]-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]butan-1-one;4-cyclopropyl-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]-4-[7-(7-methyl-1H-indol-3-yl)-2,3-dihydro-1H-pyrrolo[2,3-c]pyridin-5-yl]butan-1-one;(4S)-1-(4-cyclopropyloxy-3-methoxyphenyl)-5,5,5-trifluoro-4-[7-(4-fluoro-3-methylphenyl)-3,3-dimethyl-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxypentan-1-one;(4R)-1-(4-cyclopropyloxy-3-methoxyphenyl)-5,5,5-trifluoro-4-[7-(4-fluoro-3-methylphenyl)-3,3-dimethyl-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxypentan-1-one;(4R)-1-[4-(2-fluoroethoxy)-3-methoxyphenyl]-4-[7-(4-fluoro-3-methylphenyl)-1H-pyrrolo[2,3-c]pyridin-5-yl]-4-hydroxypentan-1-one;4-fluoro-4-[8-[4-fluoro-3-(1-fluoroethyl)phenyl]-4,4-dimethyl-2,3-dihydropyrano[2,3-c]pyridin-6-yl]-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]pentan-1-one?
The IUPAC name of 4-cyclopropyl-4-[8-[4-fluoro-3-(1-fluoroethyl)phenyl]-4,4-dimethyl-2,3-dihydropyrano[2,3-c]pyridin-6-yl]-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]butan-1-one;4-cyclopropyl-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]-4-[7-(7-methyl-1H-indol-3-yl)-2,3-dihydro-1H-pyrrolo[2,3-c]pyridin-5-yl]butan-1-one;(4S)-1-(4-cyclopropyloxy-3-methoxyphenyl)-5,5,5-trifluoro-4-[7-(4-fluoro-3-methylphenyl)-3,3-dimethyl-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxypentan-1-one;(4R)-1-(4-cyclopropyloxy-3-methoxyphenyl)-5,5,5-trifluoro-4-[7-(4-fluoro-3-methylphenyl)-3,3-dimethyl-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxypentan-1-one;(4R)-1-[4-(2-fluoroethoxy)-3-methoxyphenyl]-4-[7-(4-fluoro-3-methylphenyl)-1H-pyrrolo[2,3-c]pyridin-5-yl]-4-hydroxypentan-1-one;4-fluoro-4-[8-[4-fluoro-3-(1-fluoroethyl)phenyl]-4,4-dimethyl-2,3-dihydropyrano[2,3-c]pyridin-6-yl]-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]pentan-1-one (CID 160784337) is 4-cyclopropyl-4-[8-[4-fluoro-3-(1-fluoroethyl)phenyl]-4,4-dimethyl-2,3-dihydropyrano[2,3-c]pyridin-6-yl]-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]butan-1-one;4-cyclopropyl-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]-4-[7-(7-methyl-1H-indol-3-yl)-2,3-dihydro-1H-pyrrolo[2,3-c]pyridin-5-yl]butan-1-one;(4S)-1-(4-cyclopropyloxy-3-methoxyphenyl)-5,5,5-trifluoro-4-[7-(4-fluoro-3-methylphenyl)-3,3-dimethyl-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxypentan-1-one;(4R)-1-(4-cyclopropyloxy-3-methoxyphenyl)-5,5,5-trifluoro-4-[7-(4-fluoro-3-methylphenyl)-3,3-dimethyl-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxypentan-1-one;(4R)-1-[4-(2-fluoroethoxy)-3-methoxyphenyl]-4-[7-(4-fluoro-3-methylphenyl)-1H-pyrrolo[2,3-c]pyridin-5-yl]-4-hydroxypentan-1-one;4-fluoro-4-[8-[4-fluoro-3-(1-fluoroethyl)phenyl]-4,4-dimethyl-2,3-dihydropyrano[2,3-c]pyridin-6-yl]-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]pentan-1-one.
What is the SMILES notation for 4-cyclopropyl-4-[8-[4-fluoro-3-(1-fluoroethyl)phenyl]-4,4-dimethyl-2,3-dihydropyrano[2,3-c]pyridin-6-yl]-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]butan-1-one;4-cyclopropyl-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]-4-[7-(7-methyl-1H-indol-3-yl)-2,3-dihydro-1H-pyrrolo[2,3-c]pyridin-5-yl]butan-1-one;(4S)-1-(4-cyclopropyloxy-3-methoxyphenyl)-5,5,5-trifluoro-4-[7-(4-fluoro-3-methylphenyl)-3,3-dimethyl-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxypentan-1-one;(4R)-1-(4-cyclopropyloxy-3-methoxyphenyl)-5,5,5-trifluoro-4-[7-(4-fluoro-3-methylphenyl)-3,3-dimethyl-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxypentan-1-one;(4R)-1-[4-(2-fluoroethoxy)-3-methoxyphenyl]-4-[7-(4-fluoro-3-methylphenyl)-1H-pyrrolo[2,3-c]pyridin-5-yl]-4-hydroxypentan-1-one;4-fluoro-4-[8-[4-fluoro-3-(1-fluoroethyl)phenyl]-4,4-dimethyl-2,3-dihydropyrano[2,3-c]pyridin-6-yl]-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]pentan-1-one?
The canonical SMILES for 4-cyclopropyl-4-[8-[4-fluoro-3-(1-fluoroethyl)phenyl]-4,4-dimethyl-2,3-dihydropyrano[2,3-c]pyridin-6-yl]-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]butan-1-one;4-cyclopropyl-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]-4-[7-(7-methyl-1H-indol-3-yl)-2,3-dihydro-1H-pyrrolo[2,3-c]pyridin-5-yl]butan-1-one;(4S)-1-(4-cyclopropyloxy-3-methoxyphenyl)-5,5,5-trifluoro-4-[7-(4-fluoro-3-methylphenyl)-3,3-dimethyl-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxypentan-1-one;(4R)-1-(4-cyclopropyloxy-3-methoxyphenyl)-5,5,5-trifluoro-4-[7-(4-fluoro-3-methylphenyl)-3,3-dimethyl-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxypentan-1-one;(4R)-1-[4-(2-fluoroethoxy)-3-methoxyphenyl]-4-[7-(4-fluoro-3-methylphenyl)-1H-pyrrolo[2,3-c]pyridin-5-yl]-4-hydroxypentan-1-one;4-fluoro-4-[8-[4-fluoro-3-(1-fluoroethyl)phenyl]-4,4-dimethyl-2,3-dihydropyrano[2,3-c]pyridin-6-yl]-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]pentan-1-one is COc1cc(C(=O)CCC(C)(F)c2cc3c(c(-c4ccc(F)c(C(C)F)c4)n2)OCCC3(C)C)ccc1OCCO.COc1cc(C(=O)CCC(O)(c2cc3c(c(-c4c[nH]c5c(C)cccc45)n2)NCC3)C2CC2)ccc1OCCO.COc1cc(C(=O)CCC(O)(c2cc3c(c(-c4ccc(F)c(C(C)F)c4)n2)OCCC3(C)C)C2CC2)ccc1OCCO.COc1cc(C(=O)CC[C@@](C)(O)c2cc3cc[nH]c3c(-c3ccc(F)c(C)c3)n2)ccc1OCCF.COc1cc(C(=O)CC[C@@](O)(c2cc3c(c(-c4ccc(F)c(C)c4)n2)OCC3(C)C)C(F)(F)F)ccc1OC1CC1.COc1cc(C(=O)CC[C@](O)(c2cc3c(c(-c4ccc(F)c(C)c4)n2)OCC3(C)C)C(F)(F)F)ccc1OC1CC1.
What is the InChIKey of 4-cyclopropyl-4-[8-[4-fluoro-3-(1-fluoroethyl)phenyl]-4,4-dimethyl-2,3-dihydropyrano[2,3-c]pyridin-6-yl]-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]butan-1-one;4-cyclopropyl-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]-4-[7-(7-methyl-1H-indol-3-yl)-2,3-dihydro-1H-pyrrolo[2,3-c]pyridin-5-yl]butan-1-one;(4S)-1-(4-cyclopropyloxy-3-methoxyphenyl)-5,5,5-trifluoro-4-[7-(4-fluoro-3-methylphenyl)-3,3-dimethyl-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxypentan-1-one;(4R)-1-(4-cyclopropyloxy-3-methoxyphenyl)-5,5,5-trifluoro-4-[7-(4-fluoro-3-methylphenyl)-3,3-dimethyl-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxypentan-1-one;(4R)-1-[4-(2-fluoroethoxy)-3-methoxyphenyl]-4-[7-(4-fluoro-3-methylphenyl)-1H-pyrrolo[2,3-c]pyridin-5-yl]-4-hydroxypentan-1-one;4-fluoro-4-[8-[4-fluoro-3-(1-fluoroethyl)phenyl]-4,4-dimethyl-2,3-dihydropyrano[2,3-c]pyridin-6-yl]-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]pentan-1-one?
The InChIKey is SAZUSZYJRVHLRH-CGHXMKBCSA-N. The full InChI is InChI=1S/C34H39F2NO6.C32H36F3NO5.C32H35N3O5.2C31H31F4NO5.C28H28F2N2O4/c1-20(35)24-17-22(5-9-26(24)36)31-32-25(33(2,3)13-15-43-32)19-30(37-31)34(40,23-7-8-23)12-11-27(39)21-6-10-28(42-16-14-38)29(18-21)41-4;1-19(33)22-16-21(6-8-24(22)34)29-30-23(31(2,3)12-14-41-30)18-28(36-29)32(4,35)11-10-25(38)20-7-9-26(40-15-13-37)27(17-20)39-5;1-19-4-3-5-23-24(18-34-29(19)23)31-30-21(11-13-33-30)17-28(35-31)32(38,22-7-8-22)12-10-25(37)20-6-9-26(40-15-14-36)27(16-20)39-2;2*1-17-13-19(5-9-22(17)32)27-28-21(29(2,3)16-40-28)15-26(36-27)30(38,31(33,34)35)12-11-23(37)18-6-10-24(25(14-18)39-4)41-20-7-8-20;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/h5-6,9-10,17-20,23,38,40H,7-8,11-16H2,1-4H3;6-9,16-19,37H,10-15H2,1-5H3;3-6,9,16-18,22,33-34,36,38H,7-8,10-15H2,1-2H3;2*5-6,9-10,13-15,20,38H,7-8,11-12,16H2,1-4H3;4-7,9,12,14-16,31,34H,8,10-11,13H2,1-3H3/t;;;2*30-;28-/m...101/s1.
What are the key properties of 4-cyclopropyl-4-[8-[4-fluoro-3-(1-fluoroethyl)phenyl]-4,4-dimethyl-2,3-dihydropyrano[2,3-c]pyridin-6-yl]-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]butan-1-one;4-cyclopropyl-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]-4-[7-(7-methyl-1H-indol-3-yl)-2,3-dihydro-1H-pyrrolo[2,3-c]pyridin-5-yl]butan-1-one;(4S)-1-(4-cyclopropyloxy-3-methoxyphenyl)-5,5,5-trifluoro-4-[7-(4-fluoro-3-methylphenyl)-3,3-dimethyl-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxypentan-1-one;(4R)-1-(4-cyclopropyloxy-3-methoxyphenyl)-5,5,5-trifluoro-4-[7-(4-fluoro-3-methylphenyl)-3,3-dimethyl-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxypentan-1-one;(4R)-1-[4-(2-fluoroethoxy)-3-methoxyphenyl]-4-[7-(4-fluoro-3-methylphenyl)-1H-pyrrolo[2,3-c]pyridin-5-yl]-4-hydroxypentan-1-one;4-fluoro-4-[8-[4-fluoro-3-(1-fluoroethyl)phenyl]-4,4-dimethyl-2,3-dihydropyrano[2,3-c]pyridin-6-yl]-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]pentan-1-one?
4-cyclopropyl-4-[8-[4-fluoro-3-(1-fluoroethyl)phenyl]-4,4-dimethyl-2,3-dihydropyrano[2,3-c]pyridin-6-yl]-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]butan-1-one;4-cyclopropyl-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]-4-[7-(7-methyl-1H-indol-3-yl)-2,3-dihydro-1H-pyrrolo[2,3-c]pyridin-5-yl]butan-1-one;(4S)-1-(4-cyclopropyloxy-3-methoxyphenyl)-5,5,5-trifluoro-4-[7-(4-fluoro-3-methylphenyl)-3,3-dimethyl-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxypentan-1-one;(4R)-1-(4-cyclopropyloxy-3-methoxyphenyl)-5,5,5-trifluoro-4-[7-(4-fluoro-3-methylphenyl)-3,3-dimethyl-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxypentan-1-one;(4R)-1-[4-(2-fluoroethoxy)-3-methoxyphenyl]-4-[7-(4-fluoro-3-methylphenyl)-1H-pyrrolo[2,3-c]pyridin-5-yl]-4-hydroxypentan-1-one;4-fluoro-4-[8-[4-fluoro-3-(1-fluoroethyl)phenyl]-4,4-dimethyl-2,3-dihydropyrano[2,3-c]pyridin-6-yl]-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]pentan-1-one has a molecular weight of 3350.67 g/mol, XLogP of 38.53, 62 rotatable bonds, 11 hydrogen bond donors, and 37 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropyl-4-[8-[4-fluoro-3-(1-fluoroethyl)phenyl]-4,4-dimethyl-2,3-dihydropyrano[2,3-c]pyridin-6-yl]-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]butan-1-one;4-cyclopropyl-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]-4-[7-(7-methyl-1H-indol-3-yl)-2,3-dihydro-1H-pyrrolo[2,3-c]pyridin-5-yl]butan-1-one;(4S)-1-(4-cyclopropyloxy-3-methoxyphenyl)-5,5,5-trifluoro-4-[7-(4-fluoro-3-methylphenyl)-3,3-dimethyl-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxypentan-1-one;(4R)-1-(4-cyclopropyloxy-3-methoxyphenyl)-5,5,5-trifluoro-4-[7-(4-fluoro-3-methylphenyl)-3,3-dimethyl-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxypentan-1-one;(4R)-1-[4-(2-fluoroethoxy)-3-methoxyphenyl]-4-[7-(4-fluoro-3-methylphenyl)-1H-pyrrolo[2,3-c]pyridin-5-yl]-4-hydroxypentan-1-one;4-fluoro-4-[8-[4-fluoro-3-(1-fluoroethyl)phenyl]-4,4-dimethyl-2,3-dihydropyrano[2,3-c]pyridin-6-yl]-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]pentan-1-one is sourced from PubChem (CID 160784337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).