5-[3-[(1-cyanocyclopentyl)carbamoyl]-4-fluorophenyl]-N-methyl-2-(4-methylphenyl)-6-(2,2,2-trifluoroethylamino)furo[2,3-b]pyridine-3-carboxamide;5-[3-[(1-cyanocyclopentyl)carbamoyl]phenyl]-N-methyl-2-(4-methylphenyl)-6-(2,2,2-trifluoroethylamino)furo[2,3-b]pyridine-3-carboxamide;5-[3-[(1-cyanocyclopropyl)carbamoyl]phenyl]-N-methyl-2-(4-methylphenyl)-6-(3,3,3-trifluoropropyl)furo[2,3-b]pyridine-3-carboxamide;5-[3-[(2-cyano-3-methylbutan-2-yl)carbamoyl]-4-fluorophenyl]-N-methyl-2-(4-methylphenyl)-6-(2,2,2-trifluoroethylamino)furo[2,3-b]pyridine-3-carboxamide

C123H109F14N19O12 — CID 157469943

IUPAC5-[3-[(1-cyanocyclopentyl)carbamoyl]-4-fluorophenyl]-N-methyl-2-(4-methylphenyl)-6-(2,2,2-trifluoroethylamino)furo[2,3-b]pyridine-3-carboxamide;5-[3-[(1-cyanocyclopentyl)carbamoyl]phenyl]-N-methyl-2-(4-methylphenyl)-6-(2,2,2-trifluoroethylamino)furo[2,3-b]pyridine-3-carboxamide;5-[3-[(1-cyanocyclopropyl)carbamoyl]phenyl]-N-methyl-2-(4-methylphenyl)-6-(3,3,3-trifluoropropyl)furo[2,3-b]pyridine-3-carboxamide;5-[3-[(2-cyano-3-methylbutan-2-yl)carbamoyl]-4-fluorophenyl]-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(-c3cccc(C(=O)NC4(C#N)CC4)c3)cc12.CNC(=O)c1c(-c2ccc(C)cc2)oc2nc(NCC(F)(F)F)c(-c3ccc(F)c(C(=O)NC(C)(C#N)C(C)C)c3)cc12.CNC(=O)c1c(-c2ccc(C)cc2)oc2nc(NCC(F)(F)F)c(-c3ccc(F)c(C(=O)NC4(C#N)CCCC4)c3)cc12.CNC(=O)c1c(-c2ccc(C)cc2)oc2nc(NCC(F)(F)F)c(-c3cccc(C(=O)NC4(C#N)CCCC4)c3)cc12
InChIInChI=1S/C31H27F4N5O3.C31H29F4N5O3.C31H28F3N5O3.C30H25F3N4O3/c1-17-5-7-18(8-6-17)25-24(28(42)37-2)22-14-20(26(39-29(22)43-25)38-16-31(33,34)35)19-9-10-23(32)21(13-19)27(41)40-30(15-36)11-3-4-12-30;1-16(2)30(4,14-36)40-27(41)21-12-19(10-11-23(21)32)20-13-22-24(28(42)37-5)25(18-8-6-17(3)7-9-18)43-29(22)39-26(20)38-15-31(33,34)35;1-18-8-10-19(11-9-18)25-24(28(41)36-2)23-15-22(26(38-29(23)42-25)37-17-31(32,33)34)20-6-5-7-21(14-20)27(40)39-30(16-35)12-3-4-13-30;1-17-6-8-18(9-7-17)25-24(27(39)35-2)22-15-21(23(36-28(22)40-25)10-11-30(31,32)33)19-4-3-5-20(14-19)26(38)37-29(16-34)12-13-29/h5-10,13-14H,3-4,11-12,16H2,1-2H3,(H,37,42)(H,38,39)(H,40,41);6-13,16H,15H2,1-5H3,(H,37,42)(H,38,39)(H,40,41);5-11,14-15H,3-4,12-13,17H2,1-2H3,(H,36,41)(H,37,38)(H,39,40);3-9,14-15H,10-13H2,1-2H3,(H,35,39)(H,37,38)
InChIKeyBUXKTDBAJBDNMT-UHFFFAOYSA-N
MW2311.32 g/mol
LogP25.60
Rot. Bonds29

About 5-[3-[(1-cyanocyclopentyl)carbamoyl]-4-fluorophenyl]-N-methyl-2-(4-methylphenyl)-6-(2,2,2-trifluoroethylamino)furo[2,3-b]pyridine-3-carboxamide;5-[3-[(1-cyanocyclopentyl)carbamoyl]phenyl]-N-methyl-2-(4-methylphenyl)-6-(2,2,2-trifluoroethylamino)furo[2,3-b]pyridine-3-carboxamide;5-[3-[(1-cyanocyclopropyl)carbamoyl]phenyl]-N-methyl-2-(4-methylphenyl)-6-(3,3,3-trifluoropropyl)furo[2,3-b]pyridine-3-carboxamide;5-[3-[(2-cyano-3-methylbutan-2-yl)carbamoyl]-4-fluorophenyl]-N-methyl-2-(4-methylphenyl)-6-(2,2,2-trifluoroethylamino)furo[2,3-b]pyridine-3-carboxamide

5-[3-[(1-cyanocyclopentyl)carbamoyl]-4-fluorophenyl]-N-methyl-2-(4-methylphenyl)-6-(2,2,2-trifluoroethylamino)furo[2,3-b]pyridine-3-carboxamide;5-[3-[(1-cyanocyclopentyl)carbamoyl]phenyl]-N-methyl-2-(4-methylphenyl)-6-(2,2,2-trifluoroethylamino)furo[2,3-b]pyridine-3-carboxamide;5-[3-[(1-cyanocyclopropyl)carbamoyl]phenyl]-N-methyl-2-(4-methylphenyl)-6-(3,3,3-trifluoropropyl)furo[2,3-b]pyridine-3-carboxamide;5-[3-[(2-cyano-3-methylbutan-2-yl)carbamoyl]-4-fluorophenyl]-N-methyl-2-(4-methylphenyl)-6-(2,2,2-trifluoroethylamino)furo[2,3-b]pyridine-3-carboxamide (PubChem CID 157469943) has the molecular formula C123H109F14N19O12 and a molecular weight of 2311.32 g/mol. Its IUPAC name is 5-[3-[(1-cyanocyclopentyl)carbamoyl]-4-fluorophenyl]-N-methyl-2-(4-methylphenyl)-6-(2,2,2-trifluoroethylamino)furo[2,3-b]pyridine-3-carboxamide;5-[3-[(1-cyanocyclopentyl)carbamoyl]phenyl]-N-methyl-2-(4-methylphenyl)-6-(2,2,2-trifluoroethylamino)furo[2,3-b]pyridine-3-carboxamide;5-[3-[(1-cyanocyclopropyl)carbamoyl]phenyl]-N-methyl-2-(4-methylphenyl)-6-(3,3,3-trifluoropropyl)furo[2,3-b]pyridine-3-carboxamide;5-[3-[(2-cyano-3-methylbutan-2-yl)carbamoyl]-4-fluorophenyl]-N-methyl-2-(4-methylphenyl)-6-(2,2,2-trifluoroethylamino)furo[2,3-b]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-[3-[(1-cyanocyclopentyl)carbamoyl]-4-fluorophenyl]-N-methyl-2-(4-methylphenyl)-6-(2,2,2-trifluoroethylamino)furo[2,3-b]pyridine-3-carboxamide;5-[3-[(1-cyanocyclopentyl)carbamoyl]phenyl]-N-methyl-2-(4-methylphenyl)-6-(2,2,2-trifluoroethylamino)furo[2,3-b]pyridine-3-carboxamide;5-[3-[(1-cyanocyclopropyl)carbamoyl]phenyl]-N-methyl-2-(4-methylphenyl)-6-(3,3,3-trifluoropropyl)furo[2,3-b]pyridine-3-carboxamide;5-[3-[(2-cyano-3-methylbutan-2-yl)carbamoyl]-4-fluorophenyl]-N-methyl-2-(4-methylphenyl)-6-(2,2,2-trifluoroethylamino)furo[2,3-b]pyridine-3-carboxamide
PubChem CID157469943
Molecular FormulaC123H109F14N19O12
Molecular Weight2311.32 g/mol
Exact Mass2309.83
IUPAC Name5-[3-[(1-cyanocyclopentyl)carbamoyl]-4-fluorophenyl]-N-methyl-2-(4-methylphenyl)-6-(2,2,2-trifluoroethylamino)furo[2,3-b]pyridine-3-carboxamide;5-[3-[(1-cyanocyclopentyl)carbamoyl]phenyl]-N-methyl-2-(4-methylphenyl)-6-(2,2,2-trifluoroethylamino)furo[2,3-b]pyridine-3-carboxamide;5-[3-[(1-cyanocyclopropyl)carbamoyl]phenyl]-N-methyl-2-(4-methylphenyl)-6-(3,3,3-trifluoropropyl)furo[2,3-b]pyridine-3-carboxamide;5-[3-[(2-cyano-3-methylbutan-2-yl)carbamoyl]-4-fluorophenyl]-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(-c3cccc(C(=O)NC4(C#N)CC4)c3)cc12.CNC(=O)c1c(-c2ccc(C)cc2)oc2nc(NCC(F)(F)F)c(-c3ccc(F)c(C(=O)NC(C)(C#N)C(C)C)c3)cc12.CNC(=O)c1c(-c2ccc(C)cc2)oc2nc(NCC(F)(F)F)c(-c3ccc(F)c(C(=O)NC4(C#N)CCCC4)c3)cc12.CNC(=O)c1c(-c2ccc(C)cc2)oc2nc(NCC(F)(F)F)c(-c3cccc(C(=O)NC4(C#N)CCCC4)c3)cc12
InChIInChI=1S/C31H27F4N5O3.C31H29F4N5O3.C31H28F3N5O3.C30H25F3N4O3/c1-17-5-7-18(8-6-17)25-24(28(42)37-2)22-14-20(26(39-29(22)43-25)38-16-31(33,34)35)19-9-10-23(32)21(13-19)27(41)40-30(15-36)11-3-4-12-30;1-16(2)30(4,14-36)40-27(41)21-12-19(10-11-23(21)32)20-13-22-24(28(42)37-5)25(18-8-6-17(3)7-9-18)43-29(22)39-26(20)38-15-31(33,34)35;1-18-8-10-19(11-9-18)25-24(28(41)36-2)23-15-22(26(38-29(23)42-25)37-17-31(32,33)34)20-6-5-7-21(14-20)27(40)39-30(16-35)12-3-4-13-30;1-17-6-8-18(9-7-17)25-24(27(39)35-2)22-15-21(23(36-28(22)40-25)10-11-30(31,32)33)19-4-3-5-20(14-19)26(38)37-29(16-34)12-13-29/h5-10,13-14H,3-4,11-12,16H2,1-2H3,(H,37,42)(H,38,39)(H,40,41);6-13,16H,15H2,1-5H3,(H,37,42)(H,38,39)(H,40,41);5-11,14-15H,3-4,12-13,17H2,1-2H3,(H,36,41)(H,37,38)(H,39,40);3-9,14-15H,10-13H2,1-2H3,(H,35,39)(H,37,38)
InChIKeyBUXKTDBAJBDNMT-UHFFFAOYSA-N
XLogP25.60
TPSA468.17 Ų
H-Bond Donors11
H-Bond Acceptors23
Rotatable Bonds29
Heavy Atoms168
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002311.32
LogP ≤ 525.60
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1023

Analyze 5-[3-[(1-cyanocyclopentyl)carbamoyl]-4-fluorophenyl]-N-methyl-2-(4-methylphenyl)-6-(2,2,2-trifluoroethylamino)furo[2,3-b]pyridine-3-carboxamide;5-[3-[(1-cyanocyclopentyl)carbamoyl]phenyl]-N-methyl-2-(4-methylphenyl)-6-(2,2,2-trifluoroethylamino)furo[2,3-b]pyridine-3-carboxamide;5-[3-[(1-cyanocyclopropyl)carbamoyl]phenyl]-N-methyl-2-(4-methylphenyl)-6-(3,3,3-trifluoropropyl)furo[2,3-b]pyridine-3-carboxamide;5-[3-[(2-cyano-3-methylbutan-2-yl)carbamoyl]-4-fluorophenyl]-N-methyl-2-(4-methylphenyl)-6-(2,2,2-trifluoroethylamino)furo[2,3-b]pyridine-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-[3-[(1-cyanocyclopentyl)carbamoyl]-4-fluorophenyl]-N-methyl-2-(4-methylphenyl)-6-(2,2,2-trifluoroethylamino)furo[2,3-b]pyridine-3-carboxamide;5-[3-[(1-cyanocyclopentyl)carbamoyl]phenyl]-N-methyl-2-(4-methylphenyl)-6-(2,2,2-trifluoroethylamino)furo[2,3-b]pyridine-3-carboxamide;5-[3-[(1-cyanocyclopropyl)carbamoyl]phenyl]-N-methyl-2-(4-methylphenyl)-6-(3,3,3-trifluoropropyl)furo[2,3-b]pyridine-3-carboxamide;5-[3-[(2-cyano-3-methylbutan-2-yl)carbamoyl]-4-fluorophenyl]-N-methyl-2-(4-methylphenyl)-6-(2,2,2-trifluoroethylamino)furo[2,3-b]pyridine-3-carboxamide?
The IUPAC name of 5-[3-[(1-cyanocyclopentyl)carbamoyl]-4-fluorophenyl]-N-methyl-2-(4-methylphenyl)-6-(2,2,2-trifluoroethylamino)furo[2,3-b]pyridine-3-carboxamide;5-[3-[(1-cyanocyclopentyl)carbamoyl]phenyl]-N-methyl-2-(4-methylphenyl)-6-(2,2,2-trifluoroethylamino)furo[2,3-b]pyridine-3-carboxamide;5-[3-[(1-cyanocyclopropyl)carbamoyl]phenyl]-N-methyl-2-(4-methylphenyl)-6-(3,3,3-trifluoropropyl)furo[2,3-b]pyridine-3-carboxamide;5-[3-[(2-cyano-3-methylbutan-2-yl)carbamoyl]-4-fluorophenyl]-N-methyl-2-(4-methylphenyl)-6-(2,2,2-trifluoroethylamino)furo[2,3-b]pyridine-3-carboxamide (CID 157469943) is 5-[3-[(1-cyanocyclopentyl)carbamoyl]-4-fluorophenyl]-N-methyl-2-(4-methylphenyl)-6-(2,2,2-trifluoroethylamino)furo[2,3-b]pyridine-3-carboxamide;5-[3-[(1-cyanocyclopentyl)carbamoyl]phenyl]-N-methyl-2-(4-methylphenyl)-6-(2,2,2-trifluoroethylamino)furo[2,3-b]pyridine-3-carboxamide;5-[3-[(1-cyanocyclopropyl)carbamoyl]phenyl]-N-methyl-2-(4-methylphenyl)-6-(3,3,3-trifluoropropyl)furo[2,3-b]pyridine-3-carboxamide;5-[3-[(2-cyano-3-methylbutan-2-yl)carbamoyl]-4-fluorophenyl]-N-methyl-2-(4-methylphenyl)-6-(2,2,2-trifluoroethylamino)furo[2,3-b]pyridine-3-carboxamide.
What is the SMILES notation for 5-[3-[(1-cyanocyclopentyl)carbamoyl]-4-fluorophenyl]-N-methyl-2-(4-methylphenyl)-6-(2,2,2-trifluoroethylamino)furo[2,3-b]pyridine-3-carboxamide;5-[3-[(1-cyanocyclopentyl)carbamoyl]phenyl]-N-methyl-2-(4-methylphenyl)-6-(2,2,2-trifluoroethylamino)furo[2,3-b]pyridine-3-carboxamide;5-[3-[(1-cyanocyclopropyl)carbamoyl]phenyl]-N-methyl-2-(4-methylphenyl)-6-(3,3,3-trifluoropropyl)furo[2,3-b]pyridine-3-carboxamide;5-[3-[(2-cyano-3-methylbutan-2-yl)carbamoyl]-4-fluorophenyl]-N-methyl-2-(4-methylphenyl)-6-(2,2,2-trifluoroethylamino)furo[2,3-b]pyridine-3-carboxamide?
The canonical SMILES for 5-[3-[(1-cyanocyclopentyl)carbamoyl]-4-fluorophenyl]-N-methyl-2-(4-methylphenyl)-6-(2,2,2-trifluoroethylamino)furo[2,3-b]pyridine-3-carboxamide;5-[3-[(1-cyanocyclopentyl)carbamoyl]phenyl]-N-methyl-2-(4-methylphenyl)-6-(2,2,2-trifluoroethylamino)furo[2,3-b]pyridine-3-carboxamide;5-[3-[(1-cyanocyclopropyl)carbamoyl]phenyl]-N-methyl-2-(4-methylphenyl)-6-(3,3,3-trifluoropropyl)furo[2,3-b]pyridine-3-carboxamide;5-[3-[(2-cyano-3-methylbutan-2-yl)carbamoyl]-4-fluorophenyl]-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(-c3cccc(C(=O)NC4(C#N)CC4)c3)cc12.CNC(=O)c1c(-c2ccc(C)cc2)oc2nc(NCC(F)(F)F)c(-c3ccc(F)c(C(=O)NC(C)(C#N)C(C)C)c3)cc12.CNC(=O)c1c(-c2ccc(C)cc2)oc2nc(NCC(F)(F)F)c(-c3ccc(F)c(C(=O)NC4(C#N)CCCC4)c3)cc12.CNC(=O)c1c(-c2ccc(C)cc2)oc2nc(NCC(F)(F)F)c(-c3cccc(C(=O)NC4(C#N)CCCC4)c3)cc12.
What is the InChIKey of 5-[3-[(1-cyanocyclopentyl)carbamoyl]-4-fluorophenyl]-N-methyl-2-(4-methylphenyl)-6-(2,2,2-trifluoroethylamino)furo[2,3-b]pyridine-3-carboxamide;5-[3-[(1-cyanocyclopentyl)carbamoyl]phenyl]-N-methyl-2-(4-methylphenyl)-6-(2,2,2-trifluoroethylamino)furo[2,3-b]pyridine-3-carboxamide;5-[3-[(1-cyanocyclopropyl)carbamoyl]phenyl]-N-methyl-2-(4-methylphenyl)-6-(3,3,3-trifluoropropyl)furo[2,3-b]pyridine-3-carboxamide;5-[3-[(2-cyano-3-methylbutan-2-yl)carbamoyl]-4-fluorophenyl]-N-methyl-2-(4-methylphenyl)-6-(2,2,2-trifluoroethylamino)furo[2,3-b]pyridine-3-carboxamide?
The InChIKey is BUXKTDBAJBDNMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H27F4N5O3.C31H29F4N5O3.C31H28F3N5O3.C30H25F3N4O3/c1-17-5-7-18(8-6-17)25-24(28(42)37-2)22-14-20(26(39-29(22)43-25)38-16-31(33,34)35)19-9-10-23(32)21(13-19)27(41)40-30(15-36)11-3-4-12-30;1-16(2)30(4,14-36)40-27(41)21-12-19(10-11-23(21)32)20-13-22-24(28(42)37-5)25(18-8-6-17(3)7-9-18)43-29(22)39-26(20)38-15-31(33,34)35;1-18-8-10-19(11-9-18)25-24(28(41)36-2)23-15-22(26(38-29(23)42-25)37-17-31(32,33)34)20-6-5-7-21(14-20)27(40)39-30(16-35)12-3-4-13-30;1-17-6-8-18(9-7-17)25-24(27(39)35-2)22-15-21(23(36-28(22)40-25)10-11-30(31,32)33)19-4-3-5-20(14-19)26(38)37-29(16-34)12-13-29/h5-10,13-14H,3-4,11-12,16H2,1-2H3,(H,37,42)(H,38,39)(H,40,41);6-13,16H,15H2,1-5H3,(H,37,42)(H,38,39)(H,40,41);5-11,14-15H,3-4,12-13,17H2,1-2H3,(H,36,41)(H,37,38)(H,39,40);3-9,14-15H,10-13H2,1-2H3,(H,35,39)(H,37,38).
What are the key properties of 5-[3-[(1-cyanocyclopentyl)carbamoyl]-4-fluorophenyl]-N-methyl-2-(4-methylphenyl)-6-(2,2,2-trifluoroethylamino)furo[2,3-b]pyridine-3-carboxamide;5-[3-[(1-cyanocyclopentyl)carbamoyl]phenyl]-N-methyl-2-(4-methylphenyl)-6-(2,2,2-trifluoroethylamino)furo[2,3-b]pyridine-3-carboxamide;5-[3-[(1-cyanocyclopropyl)carbamoyl]phenyl]-N-methyl-2-(4-methylphenyl)-6-(3,3,3-trifluoropropyl)furo[2,3-b]pyridine-3-carboxamide;5-[3-[(2-cyano-3-methylbutan-2-yl)carbamoyl]-4-fluorophenyl]-N-methyl-2-(4-methylphenyl)-6-(2,2,2-trifluoroethylamino)furo[2,3-b]pyridine-3-carboxamide?
5-[3-[(1-cyanocyclopentyl)carbamoyl]-4-fluorophenyl]-N-methyl-2-(4-methylphenyl)-6-(2,2,2-trifluoroethylamino)furo[2,3-b]pyridine-3-carboxamide;5-[3-[(1-cyanocyclopentyl)carbamoyl]phenyl]-N-methyl-2-(4-methylphenyl)-6-(2,2,2-trifluoroethylamino)furo[2,3-b]pyridine-3-carboxamide;5-[3-[(1-cyanocyclopropyl)carbamoyl]phenyl]-N-methyl-2-(4-methylphenyl)-6-(3,3,3-trifluoropropyl)furo[2,3-b]pyridine-3-carboxamide;5-[3-[(2-cyano-3-methylbutan-2-yl)carbamoyl]-4-fluorophenyl]-N-methyl-2-(4-methylphenyl)-6-(2,2,2-trifluoroethylamino)furo[2,3-b]pyridine-3-carboxamide has a molecular weight of 2311.32 g/mol, XLogP of 25.60, 29 rotatable bonds, 11 hydrogen bond donors, and 23 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-[(1-cyanocyclopentyl)carbamoyl]-4-fluorophenyl]-N-methyl-2-(4-methylphenyl)-6-(2,2,2-trifluoroethylamino)furo[2,3-b]pyridine-3-carboxamide;5-[3-[(1-cyanocyclopentyl)carbamoyl]phenyl]-N-methyl-2-(4-methylphenyl)-6-(2,2,2-trifluoroethylamino)furo[2,3-b]pyridine-3-carboxamide;5-[3-[(1-cyanocyclopropyl)carbamoyl]phenyl]-N-methyl-2-(4-methylphenyl)-6-(3,3,3-trifluoropropyl)furo[2,3-b]pyridine-3-carboxamide;5-[3-[(2-cyano-3-methylbutan-2-yl)carbamoyl]-4-fluorophenyl]-N-methyl-2-(4-methylphenyl)-6-(2,2,2-trifluoroethylamino)furo[2,3-b]pyridine-3-carboxamide is sourced from PubChem (CID 157469943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).