5-[3-[2-(1-cyanocyclobutyl)acetyl]-4-methoxyphenyl]-N-methyl-2-(4-methylphenyl)-6-(3,3,3-trifluoropropyl)furo[2,3-b]pyridine-3-carboxamide;5-[3-[2-(1-cyanocyclopentyl)acetyl]-4-methoxyphenyl]-N-methyl-2-(4-methylphenyl)-6-(3,3,3-trifluoropropyl)furo[2,3-b]pyridine-3-carboxamide;5-[3-(3-cyano-3,4-dimethylpentanoyl)-4-methoxyphenyl]-N-methyl-2-(4-methylphenyl)-6-(3,3,3-trifluoropropyl)furo[2,3-b]pyridine-3-carboxamide;5-[3-[3-cyano-4-fluoro-3-(fluoromethyl)butanoyl]phenyl]-N-methyl-2-(4-methylphenyl)-6-(3,3,3-trifluoropropyl)furo[2,3-b]pyridine-3-carboxamide;5-[3-(3-cyano-4-fluoro-3-methylbutanoyl)phenyl]-N-methyl-2-(4-methylphenyl)-6-(3,3,3-trifluoropropyl)furo[2,3-b]pyridine-3-carboxamide;5-[3-(3-cyano-3-methylbutanoyl)-4-methoxyphenyl]-N-methyl-2-(4-methylphenyl)-6-(3,3,3-trifluoropropyl)furo[2,3-b]pyridine-3-carboxamide

C195H179F21N18O22 — CID 158742400

IUPAC5-[3-[2-(1-cyanocyclobutyl)acetyl]-4-methoxyphenyl]-N-methyl-2-(4-methylphenyl)-6-(3,3,3-trifluoropropyl)furo[2,3-b]pyridine-3-carboxamide;5-[3-[2-(1-cyanocyclopentyl)acetyl]-4-methoxyphenyl]-N-methyl-2-(4-methylphenyl)-6-(3,3,3-trifluoropropyl)furo[2,3-b]pyridine-3-carboxamide;5-[3-(3-cyano-3,4-dimethylpentanoyl)-4-methoxyphenyl]-N-methyl-2-(4-methylphenyl)-6-(3,3,3-trifluoropropyl)furo[2,3-b]pyridine-3-carboxamide;5-[3-[3-cyano-4-fluoro-3-(fluoromethyl)butanoyl]phenyl]-N-methyl-2-(4-methylphenyl)-6-(3,3,3-trifluoropropyl)furo[2,3-b]pyridine-3-carboxamide;5-[3-(3-cyano-4-fluoro-3-methylbutanoyl)phenyl]-N-methyl-2-(4-methylphenyl)-6-(3,3,3-trifluoropropyl)furo[2,3-b]pyridine-3-carboxamide;5-[3-(3-cyano-3-methylbutanoyl)-4-methoxyphenyl]-N-methyl-2-(4-methylphenyl)-6-(3,3,3-trifluoropropyl)furo[2,3-b]pyridine-3-carboxamide
SMILESCNC(=O)c1c(-c2ccc(C)cc2)oc2nc(CCC(F)(F)F)c(-c3ccc(OC)c(C(=O)CC(C)(C#N)C(C)C)c3)cc12.CNC(=O)c1c(-c2ccc(C)cc2)oc2nc(CCC(F)(F)F)c(-c3ccc(OC)c(C(=O)CC(C)(C)C#N)c3)cc12.CNC(=O)c1c(-c2ccc(C)cc2)oc2nc(CCC(F)(F)F)c(-c3ccc(OC)c(C(=O)CC4(C#N)CCC4)c3)cc12.CNC(=O)c1c(-c2ccc(C)cc2)oc2nc(CCC(F)(F)F)c(-c3ccc(OC)c(C(=O)CC4(C#N)CCCC4)c3)cc12.CNC(=O)c1c(-c2ccc(C)cc2)oc2nc(CCC(F)(F)F)c(-c3cccc(C(=O)CC(C#N)(CF)CF)c3)cc12.CNC(=O)c1c(-c2ccc(C)cc2)oc2nc(CCC(F)(F)F)c(-c3cccc(C(=O)CC(C)(C#N)CF)c3)cc12
InChIInChI=1S/C34H32F3N3O4.C34H34F3N3O4.C33H30F3N3O4.C32H30F3N3O4.C31H26F5N3O3.C31H27F4N3O3/c1-20-6-8-21(9-7-20)30-29(31(42)39-2)25-17-23(26(40-32(25)44-30)12-15-34(35,36)37)22-10-11-28(43-3)24(16-22)27(41)18-33(19-38)13-4-5-14-33;1-19(2)33(4,18-38)17-27(41)24-15-22(11-12-28(24)43-6)23-16-25-29(31(42)39-5)30(21-9-7-20(3)8-10-21)44-32(25)40-26(23)13-14-34(35,36)37;1-19-5-7-20(8-6-19)29-28(30(41)38-2)24-16-22(25(39-31(24)43-29)11-14-33(34,35)36)21-9-10-27(42-3)23(15-21)26(40)17-32(18-37)12-4-13-32;1-18-6-8-19(9-7-18)28-27(29(40)37-4)23-15-21(24(38-30(23)42-28)12-13-32(33,34)35)20-10-11-26(41-5)22(14-20)25(39)16-31(2,3)17-36;1-18-6-8-19(9-7-18)27-26(28(41)38-2)23-13-22(24(39-29(23)42-27)10-11-31(34,35)36)20-4-3-5-21(12-20)25(40)14-30(15-32,16-33)17-37;1-18-7-9-19(10-8-18)27-26(28(40)37-3)23-14-22(24(38-29(23)41-27)11-12-31(33,34)35)20-5-4-6-21(13-20)25(39)15-30(2,16-32)17-36/h6-11,16-17H,4-5,12-15,18H2,1-3H3,(H,39,42);7-12,15-16,19H,13-14,17H2,1-6H3,(H,39,42);5-10,15-16H,4,11-14,17H2,1-3H3,(H,38,41);6-11,14-15H,12-13,16H2,1-5H3,(H,37,40);3-9,12-13H,10-11,14-16H2,1-2H3,(H,38,41);4-10,13-14H,11-12,15-16H2,1-3H3,(H,37,40)
InChIKeyIMLQAIXYFALJPC-UHFFFAOYSA-N
MW3525.64 g/mol
LogP45.88
Rot. Bonds56

About 5-[3-[2-(1-cyanocyclobutyl)acetyl]-4-methoxyphenyl]-N-methyl-2-(4-methylphenyl)-6-(3,3,3-trifluoropropyl)furo[2,3-b]pyridine-3-carboxamide;5-[3-[2-(1-cyanocyclopentyl)acetyl]-4-methoxyphenyl]-N-methyl-2-(4-methylphenyl)-6-(3,3,3-trifluoropropyl)furo[2,3-b]pyridine-3-carboxamide;5-[3-(3-cyano-3,4-dimethylpentanoyl)-4-methoxyphenyl]-N-methyl-2-(4-methylphenyl)-6-(3,3,3-trifluoropropyl)furo[2,3-b]pyridine-3-carboxamide;5-[3-[3-cyano-4-fluoro-3-(fluoromethyl)butanoyl]phenyl]-N-methyl-2-(4-methylphenyl)-6-(3,3,3-trifluoropropyl)furo[2,3-b]pyridine-3-carboxamide;5-[3-(3-cyano-4-fluoro-3-methylbutanoyl)phenyl]-N-methyl-2-(4-methylphenyl)-6-(3,3,3-trifluoropropyl)furo[2,3-b]pyridine-3-carboxamide;5-[3-(3-cyano-3-methylbutanoyl)-4-methoxyphenyl]-N-methyl-2-(4-methylphenyl)-6-(3,3,3-trifluoropropyl)furo[2,3-b]pyridine-3-carboxamide

5-[3-[2-(1-cyanocyclobutyl)acetyl]-4-methoxyphenyl]-N-methyl-2-(4-methylphenyl)-6-(3,3,3-trifluoropropyl)furo[2,3-b]pyridine-3-carboxamide;5-[3-[2-(1-cyanocyclopentyl)acetyl]-4-methoxyphenyl]-N-methyl-2-(4-methylphenyl)-6-(3,3,3-trifluoropropyl)furo[2,3-b]pyridine-3-carboxamide;5-[3-(3-cyano-3,4-dimethylpentanoyl)-4-methoxyphenyl]-N-methyl-2-(4-methylphenyl)-6-(3,3,3-trifluoropropyl)furo[2,3-b]pyridine-3-carboxamide;5-[3-[3-cyano-4-fluoro-3-(fluoromethyl)butanoyl]phenyl]-N-methyl-2-(4-methylphenyl)-6-(3,3,3-trifluoropropyl)furo[2,3-b]pyridine-3-carboxamide;5-[3-(3-cyano-4-fluoro-3-methylbutanoyl)phenyl]-N-methyl-2-(4-methylphenyl)-6-(3,3,3-trifluoropropyl)furo[2,3-b]pyridine-3-carboxamide;5-[3-(3-cyano-3-methylbutanoyl)-4-methoxyphenyl]-N-methyl-2-(4-methylphenyl)-6-(3,3,3-trifluoropropyl)furo[2,3-b]pyridine-3-carboxamide (PubChem CID 158742400) has the molecular formula C195H179F21N18O22 and a molecular weight of 3525.64 g/mol. Its IUPAC name is 5-[3-[2-(1-cyanocyclobutyl)acetyl]-4-methoxyphenyl]-N-methyl-2-(4-methylphenyl)-6-(3,3,3-trifluoropropyl)furo[2,3-b]pyridine-3-carboxamide;5-[3-[2-(1-cyanocyclopentyl)acetyl]-4-methoxyphenyl]-N-methyl-2-(4-methylphenyl)-6-(3,3,3-trifluoropropyl)furo[2,3-b]pyridine-3-carboxamide;5-[3-(3-cyano-3,4-dimethylpentanoyl)-4-methoxyphenyl]-N-methyl-2-(4-methylphenyl)-6-(3,3,3-trifluoropropyl)furo[2,3-b]pyridine-3-carboxamide;5-[3-[3-cyano-4-fluoro-3-(fluoromethyl)butanoyl]phenyl]-N-methyl-2-(4-methylphenyl)-6-(3,3,3-trifluoropropyl)furo[2,3-b]pyridine-3-carboxamide;5-[3-(3-cyano-4-fluoro-3-methylbutanoyl)phenyl]-N-methyl-2-(4-methylphenyl)-6-(3,3,3-trifluoropropyl)furo[2,3-b]pyridine-3-carboxamide;5-[3-(3-cyano-3-methylbutanoyl)-4-methoxyphenyl]-N-methyl-2-(4-methylphenyl)-6-(3,3,3-trifluoropropyl)furo[2,3-b]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-[3-[2-(1-cyanocyclobutyl)acetyl]-4-methoxyphenyl]-N-methyl-2-(4-methylphenyl)-6-(3,3,3-trifluoropropyl)furo[2,3-b]pyridine-3-carboxamide;5-[3-[2-(1-cyanocyclopentyl)acetyl]-4-methoxyphenyl]-N-methyl-2-(4-methylphenyl)-6-(3,3,3-trifluoropropyl)furo[2,3-b]pyridine-3-carboxamide;5-[3-(3-cyano-3,4-dimethylpentanoyl)-4-methoxyphenyl]-N-methyl-2-(4-methylphenyl)-6-(3,3,3-trifluoropropyl)furo[2,3-b]pyridine-3-carboxamide;5-[3-[3-cyano-4-fluoro-3-(fluoromethyl)butanoyl]phenyl]-N-methyl-2-(4-methylphenyl)-6-(3,3,3-trifluoropropyl)furo[2,3-b]pyridine-3-carboxamide;5-[3-(3-cyano-4-fluoro-3-methylbutanoyl)phenyl]-N-methyl-2-(4-methylphenyl)-6-(3,3,3-trifluoropropyl)furo[2,3-b]pyridine-3-carboxamide;5-[3-(3-cyano-3-methylbutanoyl)-4-methoxyphenyl]-N-methyl-2-(4-methylphenyl)-6-(3,3,3-trifluoropropyl)furo[2,3-b]pyridine-3-carboxamide
PubChem CID158742400
Molecular FormulaC195H179F21N18O22
Molecular Weight3525.64 g/mol
Exact Mass3523.31
IUPAC Name5-[3-[2-(1-cyanocyclobutyl)acetyl]-4-methoxyphenyl]-N-methyl-2-(4-methylphenyl)-6-(3,3,3-trifluoropropyl)furo[2,3-b]pyridine-3-carboxamide;5-[3-[2-(1-cyanocyclopentyl)acetyl]-4-methoxyphenyl]-N-methyl-2-(4-methylphenyl)-6-(3,3,3-trifluoropropyl)furo[2,3-b]pyridine-3-carboxamide;5-[3-(3-cyano-3,4-dimethylpentanoyl)-4-methoxyphenyl]-N-methyl-2-(4-methylphenyl)-6-(3,3,3-trifluoropropyl)furo[2,3-b]pyridine-3-carboxamide;5-[3-[3-cyano-4-fluoro-3-(fluoromethyl)butanoyl]phenyl]-N-methyl-2-(4-methylphenyl)-6-(3,3,3-trifluoropropyl)furo[2,3-b]pyridine-3-carboxamide;5-[3-(3-cyano-4-fluoro-3-methylbutanoyl)phenyl]-N-methyl-2-(4-methylphenyl)-6-(3,3,3-trifluoropropyl)furo[2,3-b]pyridine-3-carboxamide;5-[3-(3-cyano-3-methylbutanoyl)-4-methoxyphenyl]-N-methyl-2-(4-methylphenyl)-6-(3,3,3-trifluoropropyl)furo[2,3-b]pyridine-3-carboxamide
SMILESCNC(=O)c1c(-c2ccc(C)cc2)oc2nc(CCC(F)(F)F)c(-c3ccc(OC)c(C(=O)CC(C)(C#N)C(C)C)c3)cc12.CNC(=O)c1c(-c2ccc(C)cc2)oc2nc(CCC(F)(F)F)c(-c3ccc(OC)c(C(=O)CC(C)(C)C#N)c3)cc12.CNC(=O)c1c(-c2ccc(C)cc2)oc2nc(CCC(F)(F)F)c(-c3ccc(OC)c(C(=O)CC4(C#N)CCC4)c3)cc12.CNC(=O)c1c(-c2ccc(C)cc2)oc2nc(CCC(F)(F)F)c(-c3ccc(OC)c(C(=O)CC4(C#N)CCCC4)c3)cc12.CNC(=O)c1c(-c2ccc(C)cc2)oc2nc(CCC(F)(F)F)c(-c3cccc(C(=O)CC(C#N)(CF)CF)c3)cc12.CNC(=O)c1c(-c2ccc(C)cc2)oc2nc(CCC(F)(F)F)c(-c3cccc(C(=O)CC(C)(C#N)CF)c3)cc12
InChIInChI=1S/C34H32F3N3O4.C34H34F3N3O4.C33H30F3N3O4.C32H30F3N3O4.C31H26F5N3O3.C31H27F4N3O3/c1-20-6-8-21(9-7-20)30-29(31(42)39-2)25-17-23(26(40-32(25)44-30)12-15-34(35,36)37)22-10-11-28(43-3)24(16-22)27(41)18-33(19-38)13-4-5-14-33;1-19(2)33(4,18-38)17-27(41)24-15-22(11-12-28(24)43-6)23-16-25-29(31(42)39-5)30(21-9-7-20(3)8-10-21)44-32(25)40-26(23)13-14-34(35,36)37;1-19-5-7-20(8-6-19)29-28(30(41)38-2)24-16-22(25(39-31(24)43-29)11-14-33(34,35)36)21-9-10-27(42-3)23(15-21)26(40)17-32(18-37)12-4-13-32;1-18-6-8-19(9-7-18)28-27(29(40)37-4)23-15-21(24(38-30(23)42-28)12-13-32(33,34)35)20-10-11-26(41-5)22(14-20)25(39)16-31(2,3)17-36;1-18-6-8-19(9-7-18)27-26(28(41)38-2)23-13-22(24(39-29(23)42-27)10-11-31(34,35)36)20-4-3-5-21(12-20)25(40)14-30(15-32,16-33)17-37;1-18-7-9-19(10-8-18)27-26(28(40)37-3)23-14-22(24(38-29(23)41-27)11-12-31(33,34)35)20-5-4-6-21(13-20)25(39)15-30(2,16-32)17-36/h6-11,16-17H,4-5,12-15,18H2,1-3H3,(H,39,42);7-12,15-16,19H,13-14,17H2,1-6H3,(H,39,42);5-10,15-16H,4,11-14,17H2,1-3H3,(H,38,41);6-11,14-15H,12-13,16H2,1-5H3,(H,37,40);3-9,12-13H,10-11,14-16H2,1-2H3,(H,38,41);4-10,13-14H,11-12,15-16H2,1-3H3,(H,37,40)
InChIKeyIMLQAIXYFALJPC-UHFFFAOYSA-N
XLogP45.88
TPSA612.86 Ų
H-Bond Donors6
H-Bond Acceptors34
Rotatable Bonds56
Heavy Atoms256
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003525.64
LogP ≤ 545.88
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1034

Analyze 5-[3-[2-(1-cyanocyclobutyl)acetyl]-4-methoxyphenyl]-N-methyl-2-(4-methylphenyl)-6-(3,3,3-trifluoropropyl)furo[2,3-b]pyridine-3-carboxamide;5-[3-[2-(1-cyanocyclopentyl)acetyl]-4-methoxyphenyl]-N-methyl-2-(4-methylphenyl)-6-(3,3,3-trifluoropropyl)furo[2,3-b]pyridine-3-carboxamide;5-[3-(3-cyano-3,4-dimethylpentanoyl)-4-methoxyphenyl]-N-methyl-2-(4-methylphenyl)-6-(3,3,3-trifluoropropyl)furo[2,3-b]pyridine-3-carboxamide;5-[3-[3-cyano-4-fluoro-3-(fluoromethyl)butanoyl]phenyl]-N-methyl-2-(4-methylphenyl)-6-(3,3,3-trifluoropropyl)furo[2,3-b]pyridine-3-carboxamide;5-[3-(3-cyano-4-fluoro-3-methylbutanoyl)phenyl]-N-methyl-2-(4-methylphenyl)-6-(3,3,3-trifluoropropyl)furo[2,3-b]pyridine-3-carboxamide;5-[3-(3-cyano-3-methylbutanoyl)-4-methoxyphenyl]-N-methyl-2-(4-methylphenyl)-6-(3,3,3-trifluoropropyl)furo[2,3-b]pyridine-3-carboxamide with MolForge

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Related Compounds

5-[3-[2-(1-cyanocyclopentyl)acetyl]phenyl]-N-methyl-2-(4-methylphenyl)-6-(2,2,3,3,3-pentafluoropropylamino)furo[2,3-b]pyridine-3-carboxamide;5-[3-(3-cyano-3-cyclopropylbutanoyl)-4-methoxyphenyl]-N-methyl-2-(4-methylphenyl)-6-(2,2,3,3,3-pentafluoropropylamino)furo[2,3-b]pyridine-3-carboxamide;5-[3-(3-cyano-3,4-dimethylpentanoyl)-4-methoxyphenyl]-N-methyl-2-(4-methylphenyl)-6-(2,2,3,3,3-pentafluoropropylamino)furo[2,3-b]pyridine-3-carboxamide;5-[3-(3-cyano-3,4-dimethylpentanoyl)phenyl]-N-methyl-2-(4-methylphenyl)-6-(2,2,3,3,3-pentafluoropropylamino)furo[2,3-b]pyridine-3-carboxamide
CID 158451212
5-[3-[2-(1-cyanocyclobutyl)acetyl]phenyl]-N-methyl-2-(4-methylphenyl)-6-(3,3,3-trifluoropropyl)furo[2,3-b]pyridine-3-carboxamide
CID 160618614
5-[3-[(1-cyanocyclopropyl)carbamoyl]-4-methoxyphenyl]-N-methyl-2-(4-methylphenyl)-6-(3,3,3-trifluoropropyl)furo[2,3-b]pyridine-3-carboxamide
CID 118390579
5-[3-[(1-cyanocyclopentyl)carbamoyl]phenyl]-2-(4-fluorophenyl)-N-methyl-6-(3,3,3-trifluoropropyl)furo[2,3-b]pyridine-3-carboxamide
CID 118391960
5-[3-[(1-cyanocyclobutyl)carbamoyl]-4-fluorophenyl]-N-methyl-2-(4-methylphenyl)-6-(3,3,3-trifluoropropyl)furo[2,3-b]pyridine-3-carboxamide
CID 118390553
5-[3-[(3S)-3-cyclopropylbutanoyl]phenyl]-2-(4-fluorophenyl)-N-methyl-6-(3,3,3-trifluoropropyl)furo[2,3-b]pyridine-3-carboxamide
CID 159634038
5-[3-[2-(1-bicyclo[1.1.1]pentanyl)acetyl]phenyl]-2-(4-fluorophenyl)-N-methyl-6-(3,3,3-trifluoropropyl)furo[2,3-b]pyridine-3-carboxamide
CID 158825457
5-[5-[(1-cyanocyclobutyl)carbamoyl]-6-methoxy-3-pyridinyl]-N-methyl-2-(4-methylphenyl)-6-(3,3,3-trifluoropropyl)furo[2,3-b]pyridine-3-carboxamide;5-[5-[(1-cyanocyclopentyl)carbamoyl]-6-methoxy-3-pyridinyl]-N-methyl-2-(4-methylphenyl)-6-(3,3,3-trifluoropropyl)furo[2,3-b]pyridine-3-carboxamide;5-[5-[(1-cyanocyclopropyl)carbamoyl]-6-methoxy-3-pyridinyl]-N-methyl-2-(4-methylphenyl)-6-(3,3,3-trifluoropropyl)furo[2,3-b]pyridine-3-carboxamide;5-[5-(2-cyanopropan-2-ylcarbamoyl)-6-methoxy-3-pyridinyl]-N-methyl-2-(4-methylphenyl)-6-(3,3,3-trifluoropropyl)furo[2,3-b]pyridine-3-carboxamide
CID 159619050
5-[5-[(1-cyanocyclopropyl)carbamoyl]-6-methoxy-3-pyridinyl]-N-methyl-2-(4-methylphenyl)-6-(3,3,3-trifluoropropyl)furo[2,3-b]pyridine-3-carboxamide
CID 118390572
5-[3-[[(1S)-1-cyano-1-cyclopropylethyl]carbamoyl]phenyl]-2-(4-fluorophenyl)-N-methyl-6-(3,3,3-trifluoropropyl)furo[2,3-b]pyridine-3-carboxamide
CID 118391933
5-[3-[(1-cyclopropyl-2-methoxyethyl)carbamoyl]phenyl]-2-(4-fluorophenyl)-N-methyl-6-(3,3,3-trifluoropropyl)furo[2,3-b]pyridine-3-carboxamide
CID 118896146
5-[3-(2-cyanopropan-2-ylcarbamoyl)-4-methoxyphenyl]-2-(4-fluorocyclohexa-1,3-dien-1-yl)-N-methyl-6-(3,3,3-trifluoropropyl)furo[2,3-b]pyridine-3-carboxamide
CID 162570596

Frequently Asked Questions

What is the IUPAC name of 5-[3-[2-(1-cyanocyclobutyl)acetyl]-4-methoxyphenyl]-N-methyl-2-(4-methylphenyl)-6-(3,3,3-trifluoropropyl)furo[2,3-b]pyridine-3-carboxamide;5-[3-[2-(1-cyanocyclopentyl)acetyl]-4-methoxyphenyl]-N-methyl-2-(4-methylphenyl)-6-(3,3,3-trifluoropropyl)furo[2,3-b]pyridine-3-carboxamide;5-[3-(3-cyano-3,4-dimethylpentanoyl)-4-methoxyphenyl]-N-methyl-2-(4-methylphenyl)-6-(3,3,3-trifluoropropyl)furo[2,3-b]pyridine-3-carboxamide;5-[3-[3-cyano-4-fluoro-3-(fluoromethyl)butanoyl]phenyl]-N-methyl-2-(4-methylphenyl)-6-(3,3,3-trifluoropropyl)furo[2,3-b]pyridine-3-carboxamide;5-[3-(3-cyano-4-fluoro-3-methylbutanoyl)phenyl]-N-methyl-2-(4-methylphenyl)-6-(3,3,3-trifluoropropyl)furo[2,3-b]pyridine-3-carboxamide;5-[3-(3-cyano-3-methylbutanoyl)-4-methoxyphenyl]-N-methyl-2-(4-methylphenyl)-6-(3,3,3-trifluoropropyl)furo[2,3-b]pyridine-3-carboxamide?
The IUPAC name of 5-[3-[2-(1-cyanocyclobutyl)acetyl]-4-methoxyphenyl]-N-methyl-2-(4-methylphenyl)-6-(3,3,3-trifluoropropyl)furo[2,3-b]pyridine-3-carboxamide;5-[3-[2-(1-cyanocyclopentyl)acetyl]-4-methoxyphenyl]-N-methyl-2-(4-methylphenyl)-6-(3,3,3-trifluoropropyl)furo[2,3-b]pyridine-3-carboxamide;5-[3-(3-cyano-3,4-dimethylpentanoyl)-4-methoxyphenyl]-N-methyl-2-(4-methylphenyl)-6-(3,3,3-trifluoropropyl)furo[2,3-b]pyridine-3-carboxamide;5-[3-[3-cyano-4-fluoro-3-(fluoromethyl)butanoyl]phenyl]-N-methyl-2-(4-methylphenyl)-6-(3,3,3-trifluoropropyl)furo[2,3-b]pyridine-3-carboxamide;5-[3-(3-cyano-4-fluoro-3-methylbutanoyl)phenyl]-N-methyl-2-(4-methylphenyl)-6-(3,3,3-trifluoropropyl)furo[2,3-b]pyridine-3-carboxamide;5-[3-(3-cyano-3-methylbutanoyl)-4-methoxyphenyl]-N-methyl-2-(4-methylphenyl)-6-(3,3,3-trifluoropropyl)furo[2,3-b]pyridine-3-carboxamide (CID 158742400) is 5-[3-[2-(1-cyanocyclobutyl)acetyl]-4-methoxyphenyl]-N-methyl-2-(4-methylphenyl)-6-(3,3,3-trifluoropropyl)furo[2,3-b]pyridine-3-carboxamide;5-[3-[2-(1-cyanocyclopentyl)acetyl]-4-methoxyphenyl]-N-methyl-2-(4-methylphenyl)-6-(3,3,3-trifluoropropyl)furo[2,3-b]pyridine-3-carboxamide;5-[3-(3-cyano-3,4-dimethylpentanoyl)-4-methoxyphenyl]-N-methyl-2-(4-methylphenyl)-6-(3,3,3-trifluoropropyl)furo[2,3-b]pyridine-3-carboxamide;5-[3-[3-cyano-4-fluoro-3-(fluoromethyl)butanoyl]phenyl]-N-methyl-2-(4-methylphenyl)-6-(3,3,3-trifluoropropyl)furo[2,3-b]pyridine-3-carboxamide;5-[3-(3-cyano-4-fluoro-3-methylbutanoyl)phenyl]-N-methyl-2-(4-methylphenyl)-6-(3,3,3-trifluoropropyl)furo[2,3-b]pyridine-3-carboxamide;5-[3-(3-cyano-3-methylbutanoyl)-4-methoxyphenyl]-N-methyl-2-(4-methylphenyl)-6-(3,3,3-trifluoropropyl)furo[2,3-b]pyridine-3-carboxamide.
What is the SMILES notation for 5-[3-[2-(1-cyanocyclobutyl)acetyl]-4-methoxyphenyl]-N-methyl-2-(4-methylphenyl)-6-(3,3,3-trifluoropropyl)furo[2,3-b]pyridine-3-carboxamide;5-[3-[2-(1-cyanocyclopentyl)acetyl]-4-methoxyphenyl]-N-methyl-2-(4-methylphenyl)-6-(3,3,3-trifluoropropyl)furo[2,3-b]pyridine-3-carboxamide;5-[3-(3-cyano-3,4-dimethylpentanoyl)-4-methoxyphenyl]-N-methyl-2-(4-methylphenyl)-6-(3,3,3-trifluoropropyl)furo[2,3-b]pyridine-3-carboxamide;5-[3-[3-cyano-4-fluoro-3-(fluoromethyl)butanoyl]phenyl]-N-methyl-2-(4-methylphenyl)-6-(3,3,3-trifluoropropyl)furo[2,3-b]pyridine-3-carboxamide;5-[3-(3-cyano-4-fluoro-3-methylbutanoyl)phenyl]-N-methyl-2-(4-methylphenyl)-6-(3,3,3-trifluoropropyl)furo[2,3-b]pyridine-3-carboxamide;5-[3-(3-cyano-3-methylbutanoyl)-4-methoxyphenyl]-N-methyl-2-(4-methylphenyl)-6-(3,3,3-trifluoropropyl)furo[2,3-b]pyridine-3-carboxamide?
The canonical SMILES for 5-[3-[2-(1-cyanocyclobutyl)acetyl]-4-methoxyphenyl]-N-methyl-2-(4-methylphenyl)-6-(3,3,3-trifluoropropyl)furo[2,3-b]pyridine-3-carboxamide;5-[3-[2-(1-cyanocyclopentyl)acetyl]-4-methoxyphenyl]-N-methyl-2-(4-methylphenyl)-6-(3,3,3-trifluoropropyl)furo[2,3-b]pyridine-3-carboxamide;5-[3-(3-cyano-3,4-dimethylpentanoyl)-4-methoxyphenyl]-N-methyl-2-(4-methylphenyl)-6-(3,3,3-trifluoropropyl)furo[2,3-b]pyridine-3-carboxamide;5-[3-[3-cyano-4-fluoro-3-(fluoromethyl)butanoyl]phenyl]-N-methyl-2-(4-methylphenyl)-6-(3,3,3-trifluoropropyl)furo[2,3-b]pyridine-3-carboxamide;5-[3-(3-cyano-4-fluoro-3-methylbutanoyl)phenyl]-N-methyl-2-(4-methylphenyl)-6-(3,3,3-trifluoropropyl)furo[2,3-b]pyridine-3-carboxamide;5-[3-(3-cyano-3-methylbutanoyl)-4-methoxyphenyl]-N-methyl-2-(4-methylphenyl)-6-(3,3,3-trifluoropropyl)furo[2,3-b]pyridine-3-carboxamide is CNC(=O)c1c(-c2ccc(C)cc2)oc2nc(CCC(F)(F)F)c(-c3ccc(OC)c(C(=O)CC(C)(C#N)C(C)C)c3)cc12.CNC(=O)c1c(-c2ccc(C)cc2)oc2nc(CCC(F)(F)F)c(-c3ccc(OC)c(C(=O)CC(C)(C)C#N)c3)cc12.CNC(=O)c1c(-c2ccc(C)cc2)oc2nc(CCC(F)(F)F)c(-c3ccc(OC)c(C(=O)CC4(C#N)CCC4)c3)cc12.CNC(=O)c1c(-c2ccc(C)cc2)oc2nc(CCC(F)(F)F)c(-c3ccc(OC)c(C(=O)CC4(C#N)CCCC4)c3)cc12.CNC(=O)c1c(-c2ccc(C)cc2)oc2nc(CCC(F)(F)F)c(-c3cccc(C(=O)CC(C#N)(CF)CF)c3)cc12.CNC(=O)c1c(-c2ccc(C)cc2)oc2nc(CCC(F)(F)F)c(-c3cccc(C(=O)CC(C)(C#N)CF)c3)cc12.
What is the InChIKey of 5-[3-[2-(1-cyanocyclobutyl)acetyl]-4-methoxyphenyl]-N-methyl-2-(4-methylphenyl)-6-(3,3,3-trifluoropropyl)furo[2,3-b]pyridine-3-carboxamide;5-[3-[2-(1-cyanocyclopentyl)acetyl]-4-methoxyphenyl]-N-methyl-2-(4-methylphenyl)-6-(3,3,3-trifluoropropyl)furo[2,3-b]pyridine-3-carboxamide;5-[3-(3-cyano-3,4-dimethylpentanoyl)-4-methoxyphenyl]-N-methyl-2-(4-methylphenyl)-6-(3,3,3-trifluoropropyl)furo[2,3-b]pyridine-3-carboxamide;5-[3-[3-cyano-4-fluoro-3-(fluoromethyl)butanoyl]phenyl]-N-methyl-2-(4-methylphenyl)-6-(3,3,3-trifluoropropyl)furo[2,3-b]pyridine-3-carboxamide;5-[3-(3-cyano-4-fluoro-3-methylbutanoyl)phenyl]-N-methyl-2-(4-methylphenyl)-6-(3,3,3-trifluoropropyl)furo[2,3-b]pyridine-3-carboxamide;5-[3-(3-cyano-3-methylbutanoyl)-4-methoxyphenyl]-N-methyl-2-(4-methylphenyl)-6-(3,3,3-trifluoropropyl)furo[2,3-b]pyridine-3-carboxamide?
The InChIKey is IMLQAIXYFALJPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H32F3N3O4.C34H34F3N3O4.C33H30F3N3O4.C32H30F3N3O4.C31H26F5N3O3.C31H27F4N3O3/c1-20-6-8-21(9-7-20)30-29(31(42)39-2)25-17-23(26(40-32(25)44-30)12-15-34(35,36)37)22-10-11-28(43-3)24(16-22)27(41)18-33(19-38)13-4-5-14-33;1-19(2)33(4,18-38)17-27(41)24-15-22(11-12-28(24)43-6)23-16-25-29(31(42)39-5)30(21-9-7-20(3)8-10-21)44-32(25)40-26(23)13-14-34(35,36)37;1-19-5-7-20(8-6-19)29-28(30(41)38-2)24-16-22(25(39-31(24)43-29)11-14-33(34,35)36)21-9-10-27(42-3)23(15-21)26(40)17-32(18-37)12-4-13-32;1-18-6-8-19(9-7-18)28-27(29(40)37-4)23-15-21(24(38-30(23)42-28)12-13-32(33,34)35)20-10-11-26(41-5)22(14-20)25(39)16-31(2,3)17-36;1-18-6-8-19(9-7-18)27-26(28(41)38-2)23-13-22(24(39-29(23)42-27)10-11-31(34,35)36)20-4-3-5-21(12-20)25(40)14-30(15-32,16-33)17-37;1-18-7-9-19(10-8-18)27-26(28(40)37-3)23-14-22(24(38-29(23)41-27)11-12-31(33,34)35)20-5-4-6-21(13-20)25(39)15-30(2,16-32)17-36/h6-11,16-17H,4-5,12-15,18H2,1-3H3,(H,39,42);7-12,15-16,19H,13-14,17H2,1-6H3,(H,39,42);5-10,15-16H,4,11-14,17H2,1-3H3,(H,38,41);6-11,14-15H,12-13,16H2,1-5H3,(H,37,40);3-9,12-13H,10-11,14-16H2,1-2H3,(H,38,41);4-10,13-14H,11-12,15-16H2,1-3H3,(H,37,40).
What are the key properties of 5-[3-[2-(1-cyanocyclobutyl)acetyl]-4-methoxyphenyl]-N-methyl-2-(4-methylphenyl)-6-(3,3,3-trifluoropropyl)furo[2,3-b]pyridine-3-carboxamide;5-[3-[2-(1-cyanocyclopentyl)acetyl]-4-methoxyphenyl]-N-methyl-2-(4-methylphenyl)-6-(3,3,3-trifluoropropyl)furo[2,3-b]pyridine-3-carboxamide;5-[3-(3-cyano-3,4-dimethylpentanoyl)-4-methoxyphenyl]-N-methyl-2-(4-methylphenyl)-6-(3,3,3-trifluoropropyl)furo[2,3-b]pyridine-3-carboxamide;5-[3-[3-cyano-4-fluoro-3-(fluoromethyl)butanoyl]phenyl]-N-methyl-2-(4-methylphenyl)-6-(3,3,3-trifluoropropyl)furo[2,3-b]pyridine-3-carboxamide;5-[3-(3-cyano-4-fluoro-3-methylbutanoyl)phenyl]-N-methyl-2-(4-methylphenyl)-6-(3,3,3-trifluoropropyl)furo[2,3-b]pyridine-3-carboxamide;5-[3-(3-cyano-3-methylbutanoyl)-4-methoxyphenyl]-N-methyl-2-(4-methylphenyl)-6-(3,3,3-trifluoropropyl)furo[2,3-b]pyridine-3-carboxamide?
5-[3-[2-(1-cyanocyclobutyl)acetyl]-4-methoxyphenyl]-N-methyl-2-(4-methylphenyl)-6-(3,3,3-trifluoropropyl)furo[2,3-b]pyridine-3-carboxamide;5-[3-[2-(1-cyanocyclopentyl)acetyl]-4-methoxyphenyl]-N-methyl-2-(4-methylphenyl)-6-(3,3,3-trifluoropropyl)furo[2,3-b]pyridine-3-carboxamide;5-[3-(3-cyano-3,4-dimethylpentanoyl)-4-methoxyphenyl]-N-methyl-2-(4-methylphenyl)-6-(3,3,3-trifluoropropyl)furo[2,3-b]pyridine-3-carboxamide;5-[3-[3-cyano-4-fluoro-3-(fluoromethyl)butanoyl]phenyl]-N-methyl-2-(4-methylphenyl)-6-(3,3,3-trifluoropropyl)furo[2,3-b]pyridine-3-carboxamide;5-[3-(3-cyano-4-fluoro-3-methylbutanoyl)phenyl]-N-methyl-2-(4-methylphenyl)-6-(3,3,3-trifluoropropyl)furo[2,3-b]pyridine-3-carboxamide;5-[3-(3-cyano-3-methylbutanoyl)-4-methoxyphenyl]-N-methyl-2-(4-methylphenyl)-6-(3,3,3-trifluoropropyl)furo[2,3-b]pyridine-3-carboxamide has a molecular weight of 3525.64 g/mol, XLogP of 45.88, 56 rotatable bonds, 6 hydrogen bond donors, and 34 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-[2-(1-cyanocyclobutyl)acetyl]-4-methoxyphenyl]-N-methyl-2-(4-methylphenyl)-6-(3,3,3-trifluoropropyl)furo[2,3-b]pyridine-3-carboxamide;5-[3-[2-(1-cyanocyclopentyl)acetyl]-4-methoxyphenyl]-N-methyl-2-(4-methylphenyl)-6-(3,3,3-trifluoropropyl)furo[2,3-b]pyridine-3-carboxamide;5-[3-(3-cyano-3,4-dimethylpentanoyl)-4-methoxyphenyl]-N-methyl-2-(4-methylphenyl)-6-(3,3,3-trifluoropropyl)furo[2,3-b]pyridine-3-carboxamide;5-[3-[3-cyano-4-fluoro-3-(fluoromethyl)butanoyl]phenyl]-N-methyl-2-(4-methylphenyl)-6-(3,3,3-trifluoropropyl)furo[2,3-b]pyridine-3-carboxamide;5-[3-(3-cyano-4-fluoro-3-methylbutanoyl)phenyl]-N-methyl-2-(4-methylphenyl)-6-(3,3,3-trifluoropropyl)furo[2,3-b]pyridine-3-carboxamide;5-[3-(3-cyano-3-methylbutanoyl)-4-methoxyphenyl]-N-methyl-2-(4-methylphenyl)-6-(3,3,3-trifluoropropyl)furo[2,3-b]pyridine-3-carboxamide is sourced from PubChem (CID 158742400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).