5-[5-[(1-cyanocyclobutyl)carbamoyl]-6-methoxy-3-pyridinyl]-N-methyl-2-(4-methylphenyl)-6-(2,2,2-trifluoroethylamino)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-(2,2,2-trifluoroethylamino)furo[2,3-b]pyridine-3-carboxamide;5-[5-[(2-cyano-3-methylbutan-2-yl)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-(2,2,2-trifluoroethylamino)furo[2,3-b]pyridine-3-carboxamide

C152H141F15N28O20 — CID 160660475

IUPAC5-[5-[(1-cyanocyclobutyl)carbamoyl]-6-methoxy-3-pyridinyl]-N-methyl-2-(4-methylphenyl)-6-(2,2,2-trifluoroethylamino)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-(2,2,2-trifluoroethylamino)furo[2,3-b]pyridine-3-carboxamide;5-[5-[(2-cyano-3-methylbutan-2-yl)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-(2,2,2-trifluoroethylamino)furo[2,3-b]pyridine-3-carboxamide
SMILESCNC(=O)c1c(-c2ccc(C)cc2)oc2nc(CCC(F)(F)F)c(-c3cnc(OC)c(C(=O)NC(C)(C#N)C(C)C)c3)cc12.CNC(=O)c1c(-c2ccc(C)cc2)oc2nc(CCC(F)(F)F)c(-c3cnc(OC)c(C(=O)NC4(C#N)CCCC4)c3)cc12.CNC(=O)c1c(-c2ccc(C)cc2)oc2nc(NCC(F)(F)F)c(-c3cnc(OC)c(C(=O)NC(C)(C)C#N)c3)cc12.CNC(=O)c1c(-c2ccc(C)cc2)oc2nc(NCC(F)(F)F)c(-c3cnc(OC)c(C(=O)NC4(C#N)CC4)c3)cc12.CNC(=O)c1c(-c2ccc(C)cc2)oc2nc(NCC(F)(F)F)c(-c3cnc(OC)c(C(=O)NC4(C#N)CCC4)c3)cc12
InChIInChI=1S/C32H30F3N5O4.C32H32F3N5O4.C30H27F3N6O4.C29H25F3N6O4.C29H27F3N6O4/c1-18-6-8-19(9-7-18)26-25(28(42)37-2)22-15-21(24(39-30(22)44-26)10-13-32(33,34)35)20-14-23(29(43-3)38-16-20)27(41)40-31(17-36)11-4-5-12-31;1-17(2)31(4,16-36)40-27(41)23-13-20(15-38-29(23)43-6)21-14-22-25(28(42)37-5)26(19-9-7-18(3)8-10-19)44-30(22)39-24(21)11-12-32(33,34)35;1-16-5-7-17(8-6-16)23-22(26(41)35-2)20-12-19(24(38-28(20)43-23)37-15-30(31,32)33)18-11-21(27(42-3)36-13-18)25(40)39-29(14-34)9-4-10-29;1-15-4-6-16(7-5-15)22-21(25(40)34-2)19-11-18(23(37-27(19)42-22)36-14-29(30,31)32)17-10-20(26(41-3)35-12-17)24(39)38-28(13-33)8-9-28;1-15-6-8-16(9-7-15)22-21(25(40)34-4)19-11-18(23(37-27(19)42-22)36-14-29(30,31)32)17-10-20(26(41-5)35-12-17)24(39)38-28(2,3)13-33/h6-9,14-16H,4-5,10-13H2,1-3H3,(H,37,42)(H,40,41);7-10,13-15,17H,11-12H2,1-6H3,(H,37,42)(H,40,41);5-8,11-13H,4,9-10,15H2,1-3H3,(H,35,41)(H,37,38)(H,39,40);4-7,10-12H,8-9,14H2,1-3H3,(H,34,40)(H,36,37)(H,38,39);6-12H,14H2,1-5H3,(H,34,40)(H,36,37)(H,38,39)
InChIKeyRLPKCELXKBNJQY-UHFFFAOYSA-N
MW2964.95 g/mol
LogP28.31
Rot. Bonds41

About 5-[5-[(1-cyanocyclobutyl)carbamoyl]-6-methoxy-3-pyridinyl]-N-methyl-2-(4-methylphenyl)-6-(2,2,2-trifluoroethylamino)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-(2,2,2-trifluoroethylamino)furo[2,3-b]pyridine-3-carboxamide;5-[5-[(2-cyano-3-methylbutan-2-yl)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-(2,2,2-trifluoroethylamino)furo[2,3-b]pyridine-3-carboxamide

5-[5-[(1-cyanocyclobutyl)carbamoyl]-6-methoxy-3-pyridinyl]-N-methyl-2-(4-methylphenyl)-6-(2,2,2-trifluoroethylamino)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-(2,2,2-trifluoroethylamino)furo[2,3-b]pyridine-3-carboxamide;5-[5-[(2-cyano-3-methylbutan-2-yl)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-(2,2,2-trifluoroethylamino)furo[2,3-b]pyridine-3-carboxamide (PubChem CID 160660475) has the molecular formula C152H141F15N28O20 and a molecular weight of 2964.95 g/mol. Its IUPAC name is 5-[5-[(1-cyanocyclobutyl)carbamoyl]-6-methoxy-3-pyridinyl]-N-methyl-2-(4-methylphenyl)-6-(2,2,2-trifluoroethylamino)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-(2,2,2-trifluoroethylamino)furo[2,3-b]pyridine-3-carboxamide;5-[5-[(2-cyano-3-methylbutan-2-yl)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-(2,2,2-trifluoroethylamino)furo[2,3-b]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-[5-[(1-cyanocyclobutyl)carbamoyl]-6-methoxy-3-pyridinyl]-N-methyl-2-(4-methylphenyl)-6-(2,2,2-trifluoroethylamino)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-(2,2,2-trifluoroethylamino)furo[2,3-b]pyridine-3-carboxamide;5-[5-[(2-cyano-3-methylbutan-2-yl)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-(2,2,2-trifluoroethylamino)furo[2,3-b]pyridine-3-carboxamide
PubChem CID160660475
Molecular FormulaC152H141F15N28O20
Molecular Weight2964.95 g/mol
Exact Mass2963.06
IUPAC Name5-[5-[(1-cyanocyclobutyl)carbamoyl]-6-methoxy-3-pyridinyl]-N-methyl-2-(4-methylphenyl)-6-(2,2,2-trifluoroethylamino)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-(2,2,2-trifluoroethylamino)furo[2,3-b]pyridine-3-carboxamide;5-[5-[(2-cyano-3-methylbutan-2-yl)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-(2,2,2-trifluoroethylamino)furo[2,3-b]pyridine-3-carboxamide
SMILESCNC(=O)c1c(-c2ccc(C)cc2)oc2nc(CCC(F)(F)F)c(-c3cnc(OC)c(C(=O)NC(C)(C#N)C(C)C)c3)cc12.CNC(=O)c1c(-c2ccc(C)cc2)oc2nc(CCC(F)(F)F)c(-c3cnc(OC)c(C(=O)NC4(C#N)CCCC4)c3)cc12.CNC(=O)c1c(-c2ccc(C)cc2)oc2nc(NCC(F)(F)F)c(-c3cnc(OC)c(C(=O)NC(C)(C)C#N)c3)cc12.CNC(=O)c1c(-c2ccc(C)cc2)oc2nc(NCC(F)(F)F)c(-c3cnc(OC)c(C(=O)NC4(C#N)CC4)c3)cc12.CNC(=O)c1c(-c2ccc(C)cc2)oc2nc(NCC(F)(F)F)c(-c3cnc(OC)c(C(=O)NC4(C#N)CCC4)c3)cc12
InChIInChI=1S/C32H30F3N5O4.C32H32F3N5O4.C30H27F3N6O4.C29H25F3N6O4.C29H27F3N6O4/c1-18-6-8-19(9-7-18)26-25(28(42)37-2)22-15-21(24(39-30(22)44-26)10-13-32(33,34)35)20-14-23(29(43-3)38-16-20)27(41)40-31(17-36)11-4-5-12-31;1-17(2)31(4,16-36)40-27(41)23-13-20(15-38-29(23)43-6)21-14-22-25(28(42)37-5)26(19-9-7-18(3)8-10-19)44-30(22)39-24(21)11-12-32(33,34)35;1-16-5-7-17(8-6-16)23-22(26(41)35-2)20-12-19(24(38-28(20)43-23)37-15-30(31,32)33)18-11-21(27(42-3)36-13-18)25(40)39-29(14-34)9-4-10-29;1-15-4-6-16(7-5-15)22-21(25(40)34-2)19-11-18(23(37-27(19)42-22)36-14-29(30,31)32)17-10-20(26(41-3)35-12-17)24(39)38-28(13-33)8-9-28;1-15-6-8-16(9-7-15)22-21(25(40)34-4)19-11-18(23(37-27(19)42-22)36-14-29(30,31)32)17-10-20(26(41-5)35-12-17)24(39)38-28(2,3)13-33/h6-9,14-16H,4-5,10-13H2,1-3H3,(H,37,42)(H,40,41);7-10,13-15,17H,11-12H2,1-6H3,(H,37,42)(H,40,41);5-8,11-13H,4,9-10,15H2,1-3H3,(H,35,41)(H,37,38)(H,39,40);4-7,10-12H,8-9,14H2,1-3H3,(H,34,40)(H,36,37)(H,38,39);6-12H,14H2,1-5H3,(H,34,40)(H,36,37)(H,38,39)
InChIKeyRLPKCELXKBNJQY-UHFFFAOYSA-N
XLogP28.31
TPSA686.79 Ų
H-Bond Donors13
H-Bond Acceptors38
Rotatable Bonds41
Heavy Atoms215
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002964.95
LogP ≤ 528.31
H-Bond Donors ≤ 513
H-Bond Acceptors ≤ 1038

Analyze 5-[5-[(1-cyanocyclobutyl)carbamoyl]-6-methoxy-3-pyridinyl]-N-methyl-2-(4-methylphenyl)-6-(2,2,2-trifluoroethylamino)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-(2,2,2-trifluoroethylamino)furo[2,3-b]pyridine-3-carboxamide;5-[5-[(2-cyano-3-methylbutan-2-yl)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-(2,2,2-trifluoroethylamino)furo[2,3-b]pyridine-3-carboxamide with MolForge

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Related Compounds

5-[5-(2-cyanopropan-2-ylcarbamoyl)-6-methoxy-3-pyridinyl]-N-methyl-2-(4-methylphenyl)-6-(2,2,2-trifluoroethylamino)furo[2,3-b]pyridine-3-carboxamide
CID 118390571
5-[5-[(1-cyanocyclobutyl)carbamoyl]-6-methoxy-3-pyridinyl]-N-methyl-2-(4-methylphenyl)-6-(2,2,2-trifluoroethylamino)furo[2,3-b]pyridine-3-carboxamide
CID 118390573
5-[5-[(1-cyanocyclopentyl)carbamoyl]-6-methoxy-3-pyridinyl]-N-methyl-2-(4-methylphenyl)-6-(2,2,2-trifluoroethylamino)furo[2,3-b]pyridine-3-carboxamide
CID 118390574
5-[5-[(2-cyano-3-methylbutan-2-yl)carbamoyl]-6-methoxy-3-pyridinyl]-N-methyl-2-(4-methylphenyl)-6-(2,2,2-trifluoroethylamino)furo[2,3-b]pyridine-3-carboxamide
CID 118390576
5-[5-[(1-cyanocyclopropyl)carbamoyl]-6-methoxy-3-pyridinyl]-N-methyl-2-(4-methylphenyl)-6-(2,2,2-trifluoroethylamino)furo[2,3-b]pyridine-3-carboxamide
CID 118390580
5-[5-[(1-cyanocyclopropyl)carbamoyl]-6-methoxypyridin-3-yl]-2-(4-fluorophenyl)-N-methyl-6-(2,2,2-trifluoroethylamino)furo[2,3-b]pyridine-3-carboxamide
CID 118390630
5-[5-[(1-cyanocyclobutyl)carbamoyl]-6-methoxypyridin-3-yl]-2-(4-fluorophenyl)-N-methyl-6-(2,2,2-trifluoroethylamino)furo[2,3-b]pyridine-3-carboxamide
CID 118390631
5-[5-[(1-cyanocyclopentyl)carbamoyl]-6-methoxypyridin-3-yl]-2-(4-fluorophenyl)-N-methyl-6-(2,2,2-trifluoroethylamino)furo[2,3-b]pyridine-3-carboxamide
CID 118390632
5-[5-[(2-cyano-3-methylbutan-2-yl)carbamoyl]-6-methoxypyridin-3-yl]-2-(4-fluorophenyl)-N-methyl-6-(2,2,2-trifluoroethylamino)furo[2,3-b]pyridine-3-carboxamide
CID 118390633
5-[5-(1-bicyclo[2.1.1]hexanylcarbamoyl)-6-methoxy-3-pyridinyl]-2-(4-fluorophenyl)-N-methyl-6-(2,2,2-trifluoroethylamino)furo[2,3-b]pyridine-3-carboxamide
CID 123552046
5-[5-[(2-cyano-3-methylbutan-2-yl)carbamoyl]-6-methoxy-3-pyridinyl]-N-methyl-2-(4-methylphenyl)-6-(2,2,2-trifluoroethylamino)furo[2,3-b]pyridine-3-carboxamide;5-[3-[(2-cyano-3-methylbutan-2-yl)carbamoyl]phenyl]-2-(4-fluorophenyl)-N-methyl-6-(2,2,2-trifluoroethoxy)furo[2,3-b]pyridine-3-carboxamide;5-[3-(2-cyanopropan-2-ylcarbamoyl)phenyl]-N-methyl-2-(4-methylphenyl)-6-propylfuro[2,3-b]pyridine-3-carboxamide
CID 157082910
5-[3-[(1-cyanocyclobutyl)carbamoyl]-4-fluorophenyl]-N-methyl-2-(4-methylphenyl)-6-(3,3,3-trifluoropropyl)furo[2,3-b]pyridine-3-carboxamide;5-[3-[(1-cyanocyclopropyl)carbamoyl]-4-fluorophenyl]-N-methyl-2-(4-methylphenyl)-6-(3,3,3-trifluoropropyl)furo[2,3-b]pyridine-3-carboxamide;5-[3-(3-cyano-3-methylbutanoyl)phenyl]-6-ethenyl-N-methyl-2-(4-methylphenyl)furo[2,3-b]pyridine-3-carboxamide;bis(5-[3-(3-cyano-3-methylbutanoyl)phenyl]-6-(2-hydroxyethylamino)-N-methyl-2-(4-methylphenyl)furo[2,3-b]pyridine-3-carboxamide)
CID 157099452

Frequently Asked Questions

What is the IUPAC name of 5-[5-[(1-cyanocyclobutyl)carbamoyl]-6-methoxy-3-pyridinyl]-N-methyl-2-(4-methylphenyl)-6-(2,2,2-trifluoroethylamino)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-(2,2,2-trifluoroethylamino)furo[2,3-b]pyridine-3-carboxamide;5-[5-[(2-cyano-3-methylbutan-2-yl)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-(2,2,2-trifluoroethylamino)furo[2,3-b]pyridine-3-carboxamide?
The IUPAC name of 5-[5-[(1-cyanocyclobutyl)carbamoyl]-6-methoxy-3-pyridinyl]-N-methyl-2-(4-methylphenyl)-6-(2,2,2-trifluoroethylamino)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-(2,2,2-trifluoroethylamino)furo[2,3-b]pyridine-3-carboxamide;5-[5-[(2-cyano-3-methylbutan-2-yl)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-(2,2,2-trifluoroethylamino)furo[2,3-b]pyridine-3-carboxamide (CID 160660475) is 5-[5-[(1-cyanocyclobutyl)carbamoyl]-6-methoxy-3-pyridinyl]-N-methyl-2-(4-methylphenyl)-6-(2,2,2-trifluoroethylamino)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-(2,2,2-trifluoroethylamino)furo[2,3-b]pyridine-3-carboxamide;5-[5-[(2-cyano-3-methylbutan-2-yl)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-(2,2,2-trifluoroethylamino)furo[2,3-b]pyridine-3-carboxamide.
What is the SMILES notation for 5-[5-[(1-cyanocyclobutyl)carbamoyl]-6-methoxy-3-pyridinyl]-N-methyl-2-(4-methylphenyl)-6-(2,2,2-trifluoroethylamino)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-(2,2,2-trifluoroethylamino)furo[2,3-b]pyridine-3-carboxamide;5-[5-[(2-cyano-3-methylbutan-2-yl)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-(2,2,2-trifluoroethylamino)furo[2,3-b]pyridine-3-carboxamide?
The canonical SMILES for 5-[5-[(1-cyanocyclobutyl)carbamoyl]-6-methoxy-3-pyridinyl]-N-methyl-2-(4-methylphenyl)-6-(2,2,2-trifluoroethylamino)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-(2,2,2-trifluoroethylamino)furo[2,3-b]pyridine-3-carboxamide;5-[5-[(2-cyano-3-methylbutan-2-yl)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-(2,2,2-trifluoroethylamino)furo[2,3-b]pyridine-3-carboxamide is CNC(=O)c1c(-c2ccc(C)cc2)oc2nc(CCC(F)(F)F)c(-c3cnc(OC)c(C(=O)NC(C)(C#N)C(C)C)c3)cc12.CNC(=O)c1c(-c2ccc(C)cc2)oc2nc(CCC(F)(F)F)c(-c3cnc(OC)c(C(=O)NC4(C#N)CCCC4)c3)cc12.CNC(=O)c1c(-c2ccc(C)cc2)oc2nc(NCC(F)(F)F)c(-c3cnc(OC)c(C(=O)NC(C)(C)C#N)c3)cc12.CNC(=O)c1c(-c2ccc(C)cc2)oc2nc(NCC(F)(F)F)c(-c3cnc(OC)c(C(=O)NC4(C#N)CC4)c3)cc12.CNC(=O)c1c(-c2ccc(C)cc2)oc2nc(NCC(F)(F)F)c(-c3cnc(OC)c(C(=O)NC4(C#N)CCC4)c3)cc12.
What is the InChIKey of 5-[5-[(1-cyanocyclobutyl)carbamoyl]-6-methoxy-3-pyridinyl]-N-methyl-2-(4-methylphenyl)-6-(2,2,2-trifluoroethylamino)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-(2,2,2-trifluoroethylamino)furo[2,3-b]pyridine-3-carboxamide;5-[5-[(2-cyano-3-methylbutan-2-yl)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-(2,2,2-trifluoroethylamino)furo[2,3-b]pyridine-3-carboxamide?
The InChIKey is RLPKCELXKBNJQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H30F3N5O4.C32H32F3N5O4.C30H27F3N6O4.C29H25F3N6O4.C29H27F3N6O4/c1-18-6-8-19(9-7-18)26-25(28(42)37-2)22-15-21(24(39-30(22)44-26)10-13-32(33,34)35)20-14-23(29(43-3)38-16-20)27(41)40-31(17-36)11-4-5-12-31;1-17(2)31(4,16-36)40-27(41)23-13-20(15-38-29(23)43-6)21-14-22-25(28(42)37-5)26(19-9-7-18(3)8-10-19)44-30(22)39-24(21)11-12-32(33,34)35;1-16-5-7-17(8-6-16)23-22(26(41)35-2)20-12-19(24(38-28(20)43-23)37-15-30(31,32)33)18-11-21(27(42-3)36-13-18)25(40)39-29(14-34)9-4-10-29;1-15-4-6-16(7-5-15)22-21(25(40)34-2)19-11-18(23(37-27(19)42-22)36-14-29(30,31)32)17-10-20(26(41-3)35-12-17)24(39)38-28(13-33)8-9-28;1-15-6-8-16(9-7-15)22-21(25(40)34-4)19-11-18(23(37-27(19)42-22)36-14-29(30,31)32)17-10-20(26(41-5)35-12-17)24(39)38-28(2,3)13-33/h6-9,14-16H,4-5,10-13H2,1-3H3,(H,37,42)(H,40,41);7-10,13-15,17H,11-12H2,1-6H3,(H,37,42)(H,40,41);5-8,11-13H,4,9-10,15H2,1-3H3,(H,35,41)(H,37,38)(H,39,40);4-7,10-12H,8-9,14H2,1-3H3,(H,34,40)(H,36,37)(H,38,39);6-12H,14H2,1-5H3,(H,34,40)(H,36,37)(H,38,39).
What are the key properties of 5-[5-[(1-cyanocyclobutyl)carbamoyl]-6-methoxy-3-pyridinyl]-N-methyl-2-(4-methylphenyl)-6-(2,2,2-trifluoroethylamino)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-(2,2,2-trifluoroethylamino)furo[2,3-b]pyridine-3-carboxamide;5-[5-[(2-cyano-3-methylbutan-2-yl)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-(2,2,2-trifluoroethylamino)furo[2,3-b]pyridine-3-carboxamide?
5-[5-[(1-cyanocyclobutyl)carbamoyl]-6-methoxy-3-pyridinyl]-N-methyl-2-(4-methylphenyl)-6-(2,2,2-trifluoroethylamino)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-(2,2,2-trifluoroethylamino)furo[2,3-b]pyridine-3-carboxamide;5-[5-[(2-cyano-3-methylbutan-2-yl)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-(2,2,2-trifluoroethylamino)furo[2,3-b]pyridine-3-carboxamide has a molecular weight of 2964.95 g/mol, XLogP of 28.31, 41 rotatable bonds, 13 hydrogen bond donors, and 38 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-[(1-cyanocyclobutyl)carbamoyl]-6-methoxy-3-pyridinyl]-N-methyl-2-(4-methylphenyl)-6-(2,2,2-trifluoroethylamino)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-(2,2,2-trifluoroethylamino)furo[2,3-b]pyridine-3-carboxamide;5-[5-[(2-cyano-3-methylbutan-2-yl)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-(2,2,2-trifluoroethylamino)furo[2,3-b]pyridine-3-carboxamide is sourced from PubChem (CID 160660475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).