bicyclo[1.1.1]pentan-1-amine;5-[5-[2-(1-bicyclo[1.1.1]pentanyl)acetyl]-6-methyl-3-pyridinyl]-6-(2,2-difluoroethylamino)-2-(4-fluorophenyl)-N-methylfuro[2,3-b]pyridine-3-carboxamide;5-[2-(4-fluorophenyl)-3-(methylcarbamoyl)-6-(2,2,2-trifluoroethylamino)furo[2,3-b]pyridin-5-yl]-2-methylpyridine-3-carboxylic acid;methyl 5-[6-chloro-2-(4-fluorophenyl)-3-(methylcarbamoyl)furo[2,3-b]pyridin-5-yl]-2-methylpyridine-3-carboxylate;2,2,2-trifluoroethanamine;hydrochloride

C84H76Cl2F11N13O11 — CID 157326108

About bicyclo[1.1.1]pentan-1-amine;5-[5-[2-(1-bicyclo[1.1.1]pentanyl)acetyl]-6-methyl-3-pyridinyl]-6-(2,2-difluoroethylamino)-2-(4-fluorophenyl)-N-methylfuro[2,3-b]pyridine-3-carboxamide;5-[2-(4-fluorophenyl)-3-(methylcarbamoyl)-6-(2,2,2-trifluoroethylamino)furo[2,3-b]pyridin-5-yl]-2-methylpyridine-3-carboxylic acid;methyl 5-[6-chloro-2-(4-fluorophenyl)-3-(methylcarbamoyl)furo[2,3-b]pyridin-5-yl]-2-methylpyridine-3-carboxylate;2,2,2-trifluoroethanamine;hydrochloride

bicyclo[1.1.1]pentan-1-amine;5-[5-[2-(1-bicyclo[1.1.1]pentanyl)acetyl]-6-methyl-3-pyridinyl]-6-(2,2-difluoroethylamino)-2-(4-fluorophenyl)-N-methylfuro[2,3-b]pyridine-3-carboxamide;5-[2-(4-fluorophenyl)-3-(methylcarbamoyl)-6-(2,2,2-trifluoroethylamino)furo[2,3-b]pyridin-5-yl]-2-methylpyridine-3-carboxylic acid;methyl 5-[6-chloro-2-(4-fluorophenyl)-3-(methylcarbamoyl)furo[2,3-b]pyridin-5-yl]-2-methylpyridine-3-carboxylate;2,2,2-trifluoroethanamine;hydrochloride (PubChem CID 157326108) has the molecular formula C84H76Cl2F11N13O11 and a molecular weight of 1723.50 g/mol. Its IUPAC name is bicyclo[1.1.1]pentan-1-amine;5-[5-[2-(1-bicyclo[1.1.1]pentanyl)acetyl]-6-methyl-3-pyridinyl]-6-(2,2-difluoroethylamino)-2-(4-fluorophenyl)-N-methylfuro[2,3-b]pyridine-3-carboxamide;5-[2-(4-fluorophenyl)-3-(methylcarbamoyl)-6-(2,2,2-trifluoroethylamino)furo[2,3-b]pyridin-5-yl]-2-methylpyridine-3-carboxylic acid;methyl 5-[6-chloro-2-(4-fluorophenyl)-3-(methylcarbamoyl)furo[2,3-b]pyridin-5-yl]-2-methylpyridine-3-carboxylate;2,2,2-trifluoroethanamine;hydrochloride.

Molecular Properties

• Compound Name: bicyclo[1.1.1]pentan-1-amine;5-[5-[2-(1-bicyclo[1.1.1]pentanyl)acetyl]-6-methyl-3-pyridinyl]-6-(2,2-difluoroethylamino)-2-(4-fluorophenyl)-N-methylfuro[2,3-b]pyridine-3-carboxamide;5-[2-(4-fluorophenyl)-3-(methylcarbamoyl)-6-(2,2,2-trifluoroethylamino)furo[2,3-b]pyridin-5-yl]-2-methylpyridine-3-carboxylic acid;methyl 5-[6-chloro-2-(4-fluorophenyl)-3-(methylcarbamoyl)furo[2,3-b]pyridin-5-yl]-2-methylpyridine-3-carboxylate;2,2,2-trifluoroethanamine;hydrochloride
• PubChem CID: 157326108
• Molecular Formula: C84H76Cl2F11N13O11
• Molecular Weight: 1723.50 g/mol
• Exact Mass: 1721.50
• IUPAC Name: bicyclo[1.1.1]pentan-1-amine;5-[5-[2-(1-bicyclo[1.1.1]pentanyl)acetyl]-6-methyl-3-pyridinyl]-6-(2,2-difluoroethylamino)-2-(4-fluorophenyl)-N-methylfuro[2,3-b]pyridine-3-carboxamide;5-[2-(4-fluorophenyl)-3-(methylcarbamoyl)-6-(2,2,2-trifluoroethylamino)furo[2,3-b]pyridin-5-yl]-2-methylpyridine-3-carboxylic acid;methyl 5-[6-chloro-2-(4-fluorophenyl)-3-(methylcarbamoyl)furo[2,3-b]pyridin-5-yl]-2-methylpyridine-3-carboxylate;2,2,2-trifluoroethanamine;hydrochloride
• SMILES: CNC(=O)c1c(-c2ccc(F)cc2)oc2nc(Cl)c(-c3cnc(C)c(C(=O)OC)c3)cc12.CNC(=O)c1c(-c2ccc(F)cc2)oc2nc(NCC(F)(F)F)c(-c3cnc(C)c(C(=O)O)c3)cc12.CNC(=O)c1c(-c2ccc(F)cc2)oc2nc(NCC(F)F)c(-c3cnc(C)c(C(=O)CC45CC(C4)C5)c3)cc12.Cl.NC12CC(C1)C2.NCC(F)(F)F
• InChI: InChI=1S/C30H27F3N4O3.C24H18F4N4O4.C23H17ClFN3O4.C5H9N.C2H4F3N.ClH/c1-15-20(23(38)12-30-9-16(10-30)11-30)7-18(13-35-15)21-8-22-25(28(39)34-2)26(17-3-5-19(31)6-4-17)40-29(22)37-27(21)36-14-24(32)33;1-11-15(23(34)35)7-13(9-30-11)16-8-17-18(21(33)29-2)19(12-3-5-14(25)6-4-12)36-22(17)32-20(16)31-10-24(26,27)28;1-11-15(23(30)31-3)8-13(10-27-11)16-9-17-18(21(29)26-2)19(32-22(17)28-20(16)24)12-4-6-14(25)7-5-12;6-5-1-4(2-5)3-5;3-2(4,5)1-6;/h3-8,13,16,24H,9-12,14H2,1-2H3,(H,34,39)(H,36,37);3-9H,10H2,1-2H3,(H,29,33)(H,31,32)(H,34,35);4-10H,1-3H3,(H,26,29);4H,1-3,6H2;1,6H2;1H
• InChIKey: RVOIKJDXVDJTCZ-UHFFFAOYSA-N
• XLogP: 17.68
• TPSA: 360.83 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 20
• Rotatable Bonds: 19
• Heavy Atoms: 121
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1723.50
LogP ≤ 5	17.68
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	20

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of bicyclo[1.1.1]pentan-1-amine;5-[5-[2-(1-bicyclo[1.1.1]pentanyl)acetyl]-6-methyl-3-pyridinyl]-6-(2,2-difluoroethylamino)-2-(4-fluorophenyl)-N-methylfuro[2,3-b]pyridine-3-carboxamide;5-[2-(4-fluorophenyl)-3-(methylcarbamoyl)-6-(2,2,2-trifluoroethylamino)furo[2,3-b]pyridin-5-yl]-2-methylpyridine-3-carboxylic acid;methyl 5-[6-chloro-2-(4-fluorophenyl)-3-(methylcarbamoyl)furo[2,3-b]pyridin-5-yl]-2-methylpyridine-3-carboxylate;2,2,2-trifluoroethanamine;hydrochloride?

The IUPAC name of bicyclo[1.1.1]pentan-1-amine;5-[5-[2-(1-bicyclo[1.1.1]pentanyl)acetyl]-6-methyl-3-pyridinyl]-6-(2,2-difluoroethylamino)-2-(4-fluorophenyl)-N-methylfuro[2,3-b]pyridine-3-carboxamide;5-[2-(4-fluorophenyl)-3-(methylcarbamoyl)-6-(2,2,2-trifluoroethylamino)furo[2,3-b]pyridin-5-yl]-2-methylpyridine-3-carboxylic acid;methyl 5-[6-chloro-2-(4-fluorophenyl)-3-(methylcarbamoyl)furo[2,3-b]pyridin-5-yl]-2-methylpyridine-3-carboxylate;2,2,2-trifluoroethanamine;hydrochloride (CID 157326108) is bicyclo[1.1.1]pentan-1-amine;5-[5-[2-(1-bicyclo[1.1.1]pentanyl)acetyl]-6-methyl-3-pyridinyl]-6-(2,2-difluoroethylamino)-2-(4-fluorophenyl)-N-methylfuro[2,3-b]pyridine-3-carboxamide;5-[2-(4-fluorophenyl)-3-(methylcarbamoyl)-6-(2,2,2-trifluoroethylamino)furo[2,3-b]pyridin-5-yl]-2-methylpyridine-3-carboxylic acid;methyl 5-[6-chloro-2-(4-fluorophenyl)-3-(methylcarbamoyl)furo[2,3-b]pyridin-5-yl]-2-methylpyridine-3-carboxylate;2,2,2-trifluoroethanamine;hydrochloride.

What is the SMILES notation for bicyclo[1.1.1]pentan-1-amine;5-[5-[2-(1-bicyclo[1.1.1]pentanyl)acetyl]-6-methyl-3-pyridinyl]-6-(2,2-difluoroethylamino)-2-(4-fluorophenyl)-N-methylfuro[2,3-b]pyridine-3-carboxamide;5-[2-(4-fluorophenyl)-3-(methylcarbamoyl)-6-(2,2,2-trifluoroethylamino)furo[2,3-b]pyridin-5-yl]-2-methylpyridine-3-carboxylic acid;methyl 5-[6-chloro-2-(4-fluorophenyl)-3-(methylcarbamoyl)furo[2,3-b]pyridin-5-yl]-2-methylpyridine-3-carboxylate;2,2,2-trifluoroethanamine;hydrochloride?

The canonical SMILES for bicyclo[1.1.1]pentan-1-amine;5-[5-[2-(1-bicyclo[1.1.1]pentanyl)acetyl]-6-methyl-3-pyridinyl]-6-(2,2-difluoroethylamino)-2-(4-fluorophenyl)-N-methylfuro[2,3-b]pyridine-3-carboxamide;5-[2-(4-fluorophenyl)-3-(methylcarbamoyl)-6-(2,2,2-trifluoroethylamino)furo[2,3-b]pyridin-5-yl]-2-methylpyridine-3-carboxylic acid;methyl 5-[6-chloro-2-(4-fluorophenyl)-3-(methylcarbamoyl)furo[2,3-b]pyridin-5-yl]-2-methylpyridine-3-carboxylate;2,2,2-trifluoroethanamine;hydrochloride is CNC(=O)c1c(-c2ccc(F)cc2)oc2nc(Cl)c(-c3cnc(C)c(C(=O)OC)c3)cc12.CNC(=O)c1c(-c2ccc(F)cc2)oc2nc(NCC(F)(F)F)c(-c3cnc(C)c(C(=O)O)c3)cc12.CNC(=O)c1c(-c2ccc(F)cc2)oc2nc(NCC(F)F)c(-c3cnc(C)c(C(=O)CC45CC(C4)C5)c3)cc12.Cl.NC12CC(C1)C2.NCC(F)(F)F.

What is the InChIKey of bicyclo[1.1.1]pentan-1-amine;5-[5-[2-(1-bicyclo[1.1.1]pentanyl)acetyl]-6-methyl-3-pyridinyl]-6-(2,2-difluoroethylamino)-2-(4-fluorophenyl)-N-methylfuro[2,3-b]pyridine-3-carboxamide;5-[2-(4-fluorophenyl)-3-(methylcarbamoyl)-6-(2,2,2-trifluoroethylamino)furo[2,3-b]pyridin-5-yl]-2-methylpyridine-3-carboxylic acid;methyl 5-[6-chloro-2-(4-fluorophenyl)-3-(methylcarbamoyl)furo[2,3-b]pyridin-5-yl]-2-methylpyridine-3-carboxylate;2,2,2-trifluoroethanamine;hydrochloride?

The InChIKey is RVOIKJDXVDJTCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H27F3N4O3.C24H18F4N4O4.C23H17ClFN3O4.C5H9N.C2H4F3N.ClH/c1-15-20(23(38)12-30-9-16(10-30)11-30)7-18(13-35-15)21-8-22-25(28(39)34-2)26(17-3-5-19(31)6-4-17)40-29(22)37-27(21)36-14-24(32)33;1-11-15(23(34)35)7-13(9-30-11)16-8-17-18(21(33)29-2)19(12-3-5-14(25)6-4-12)36-22(17)32-20(16)31-10-24(26,27)28;1-11-15(23(30)31-3)8-13(10-27-11)16-9-17-18(21(29)26-2)19(32-22(17)28-20(16)24)12-4-6-14(25)7-5-12;6-5-1-4(2-5)3-5;3-2(4,5)1-6;/h3-8,13,16,24H,9-12,14H2,1-2H3,(H,34,39)(H,36,37);3-9H,10H2,1-2H3,(H,29,33)(H,31,32)(H,34,35);4-10H,1-3H3,(H,26,29);4H,1-3,6H2;1,6H2;1H.

What are the key properties of bicyclo[1.1.1]pentan-1-amine;5-[5-[2-(1-bicyclo[1.1.1]pentanyl)acetyl]-6-methyl-3-pyridinyl]-6-(2,2-difluoroethylamino)-2-(4-fluorophenyl)-N-methylfuro[2,3-b]pyridine-3-carboxamide;5-[2-(4-fluorophenyl)-3-(methylcarbamoyl)-6-(2,2,2-trifluoroethylamino)furo[2,3-b]pyridin-5-yl]-2-methylpyridine-3-carboxylic acid;methyl 5-[6-chloro-2-(4-fluorophenyl)-3-(methylcarbamoyl)furo[2,3-b]pyridin-5-yl]-2-methylpyridine-3-carboxylate;2,2,2-trifluoroethanamine;hydrochloride?

bicyclo[1.1.1]pentan-1-amine;5-[5-[2-(1-bicyclo[1.1.1]pentanyl)acetyl]-6-methyl-3-pyridinyl]-6-(2,2-difluoroethylamino)-2-(4-fluorophenyl)-N-methylfuro[2,3-b]pyridine-3-carboxamide;5-[2-(4-fluorophenyl)-3-(methylcarbamoyl)-6-(2,2,2-trifluoroethylamino)furo[2,3-b]pyridin-5-yl]-2-methylpyridine-3-carboxylic acid;methyl 5-[6-chloro-2-(4-fluorophenyl)-3-(methylcarbamoyl)furo[2,3-b]pyridin-5-yl]-2-methylpyridine-3-carboxylate;2,2,2-trifluoroethanamine;hydrochloride has a molecular weight of 1723.50 g/mol, XLogP of 17.68, 19 rotatable bonds, 8 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for bicyclo[1.1.1]pentan-1-amine;5-[5-[2-(1-bicyclo[1.1.1]pentanyl)acetyl]-6-methyl-3-pyridinyl]-6-(2,2-difluoroethylamino)-2-(4-fluorophenyl)-N-methylfuro[2,3-b]pyridine-3-carboxamide;5-[2-(4-fluorophenyl)-3-(methylcarbamoyl)-6-(2,2,2-trifluoroethylamino)furo[2,3-b]pyridin-5-yl]-2-methylpyridine-3-carboxylic acid;methyl 5-[6-chloro-2-(4-fluorophenyl)-3-(methylcarbamoyl)furo[2,3-b]pyridin-5-yl]-2-methylpyridine-3-carboxylate;2,2,2-trifluoroethanamine;hydrochloride is sourced from PubChem (CID 157326108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).