1-[5-(7-chlorofuro[3,2-b]pyridin-2-yl)-4-methoxy-2-pyridinyl]ethanone;5-[7-[3-cyano-4-[(3R)-3-fluoropyrrolidin-1-yl]phenyl]furo[3,2-b]pyridin-2-yl]-4-methoxypyridine-2-carboxylic acid;5-[2-[6-[(3R)-3-(dimethylamino)pyrrolidine-1-carbonyl]-4-methoxy-3-pyridinyl]furo[3,2-b]pyridin-7-yl]-2-[(3R)-3-fluoropyrrolidin-1-yl]benzonitrile;(3R)-N,N-dimethylpyrrolidin-3-amine;2-[(3R)-3-fluoropyrrolidin-1-yl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile;methane;methyl 5-[7-[3-cyano-4-[(3R)-3-fluoropyrrolidin-1-yl]phenyl]furo[3,2-b]pyridin-2-yl]-4-methoxypyridine-2-carboxylate

C121H122BClF4N20O16 — CID 157359738

About 1-[5-(7-chlorofuro[3,2-b]pyridin-2-yl)-4-methoxy-2-pyridinyl]ethanone;5-[7-[3-cyano-4-[(3R)-3-fluoropyrrolidin-1-yl]phenyl]furo[3,2-b]pyridin-2-yl]-4-methoxypyridine-2-carboxylic acid;5-[2-[6-[(3R)-3-(dimethylamino)pyrrolidine-1-carbonyl]-4-methoxy-3-pyridinyl]furo[3,2-b]pyridin-7-yl]-2-[(3R)-3-fluoropyrrolidin-1-yl]benzonitrile;(3R)-N,N-dimethylpyrrolidin-3-amine;2-[(3R)-3-fluoropyrrolidin-1-yl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile;methane;methyl 5-[7-[3-cyano-4-[(3R)-3-fluoropyrrolidin-1-yl]phenyl]furo[3,2-b]pyridin-2-yl]-4-methoxypyridine-2-carboxylate

1-[5-(7-chlorofuro[3,2-b]pyridin-2-yl)-4-methoxy-2-pyridinyl]ethanone;5-[7-[3-cyano-4-[(3R)-3-fluoropyrrolidin-1-yl]phenyl]furo[3,2-b]pyridin-2-yl]-4-methoxypyridine-2-carboxylic acid;5-[2-[6-[(3R)-3-(dimethylamino)pyrrolidine-1-carbonyl]-4-methoxy-3-pyridinyl]furo[3,2-b]pyridin-7-yl]-2-[(3R)-3-fluoropyrrolidin-1-yl]benzonitrile;(3R)-N,N-dimethylpyrrolidin-3-amine;2-[(3R)-3-fluoropyrrolidin-1-yl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile;methane;methyl 5-[7-[3-cyano-4-[(3R)-3-fluoropyrrolidin-1-yl]phenyl]furo[3,2-b]pyridin-2-yl]-4-methoxypyridine-2-carboxylate (PubChem CID 157359738) has the molecular formula C121H122BClF4N20O16 and a molecular weight of 2234.69 g/mol. Its IUPAC name is 1-[5-(7-chlorofuro[3,2-b]pyridin-2-yl)-4-methoxy-2-pyridinyl]ethanone;5-[7-[3-cyano-4-[(3R)-3-fluoropyrrolidin-1-yl]phenyl]furo[3,2-b]pyridin-2-yl]-4-methoxypyridine-2-carboxylic acid;5-[2-[6-[(3R)-3-(dimethylamino)pyrrolidine-1-carbonyl]-4-methoxy-3-pyridinyl]furo[3,2-b]pyridin-7-yl]-2-[(3R)-3-fluoropyrrolidin-1-yl]benzonitrile;(3R)-N,N-dimethylpyrrolidin-3-amine;2-[(3R)-3-fluoropyrrolidin-1-yl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile;methane;methyl 5-[7-[3-cyano-4-[(3R)-3-fluoropyrrolidin-1-yl]phenyl]furo[3,2-b]pyridin-2-yl]-4-methoxypyridine-2-carboxylate.

Molecular Properties

• Compound Name: 1-[5-(7-chlorofuro[3,2-b]pyridin-2-yl)-4-methoxy-2-pyridinyl]ethanone;5-[7-[3-cyano-4-[(3R)-3-fluoropyrrolidin-1-yl]phenyl]furo[3,2-b]pyridin-2-yl]-4-methoxypyridine-2-carboxylic acid;5-[2-[6-[(3R)-3-(dimethylamino)pyrrolidine-1-carbonyl]-4-methoxy-3-pyridinyl]furo[3,2-b]pyridin-7-yl]-2-[(3R)-3-fluoropyrrolidin-1-yl]benzonitrile;(3R)-N,N-dimethylpyrrolidin-3-amine;2-[(3R)-3-fluoropyrrolidin-1-yl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile;methane;methyl 5-[7-[3-cyano-4-[(3R)-3-fluoropyrrolidin-1-yl]phenyl]furo[3,2-b]pyridin-2-yl]-4-methoxypyridine-2-carboxylate
• PubChem CID: 157359738
• Molecular Formula: C121H122BClF4N20O16
• Molecular Weight: 2234.69 g/mol
• Exact Mass: 2232.91
• IUPAC Name: 1-[5-(7-chlorofuro[3,2-b]pyridin-2-yl)-4-methoxy-2-pyridinyl]ethanone;5-[7-[3-cyano-4-[(3R)-3-fluoropyrrolidin-1-yl]phenyl]furo[3,2-b]pyridin-2-yl]-4-methoxypyridine-2-carboxylic acid;5-[2-[6-[(3R)-3-(dimethylamino)pyrrolidine-1-carbonyl]-4-methoxy-3-pyridinyl]furo[3,2-b]pyridin-7-yl]-2-[(3R)-3-fluoropyrrolidin-1-yl]benzonitrile;(3R)-N,N-dimethylpyrrolidin-3-amine;2-[(3R)-3-fluoropyrrolidin-1-yl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile;methane;methyl 5-[7-[3-cyano-4-[(3R)-3-fluoropyrrolidin-1-yl]phenyl]furo[3,2-b]pyridin-2-yl]-4-methoxypyridine-2-carboxylate
• SMILES: C.CC1(C)OB(c2ccc(N3CC[C@@H](F)C3)c(C#N)c2)OC1(C)C.CN(C)[C@@H]1CCNC1.COC(=O)c1cc(OC)c(-c2cc3nccc(-c4ccc(N5CC[C@@H](F)C5)c(C#N)c4)c3o2)cn1.COc1cc(C(=O)N2CC[C@@H](N(C)C)C2)ncc1-c1cc2nccc(-c3ccc(N4CC[C@@H](F)C4)c(C#N)c3)c2o1.COc1cc(C(=O)O)ncc1-c1cc2nccc(-c3ccc(N4CC[C@@H](F)C4)c(C#N)c3)c2o1.COc1cc(C(C)=O)ncc1-c1cc2nccc(Cl)c2o1
• InChI: InChI=1S/C31H31FN6O3.C26H21FN4O4.C25H19FN4O4.C17H22BFN2O2.C15H11ClN2O3.C6H14N2.CH4/c1-36(2)22-8-11-38(18-22)31(39)26-14-28(40-3)24(16-35-26)29-13-25-30(41-29)23(6-9-34-25)19-4-5-27(20(12-19)15-33)37-10-7-21(32)17-37;1-33-23-11-21(26(32)34-2)30-13-19(23)24-10-20-25(35-24)18(5-7-29-20)15-3-4-22(16(9-15)12-28)31-8-6-17(27)14-31;1-33-22-10-20(25(31)32)29-12-18(22)23-9-19-24(34-23)17(4-6-28-19)14-2-3-21(15(8-14)11-27)30-7-5-16(26)13-30;1-16(2)17(3,4)23-18(22-16)13-5-6-15(12(9-13)10-20)21-8-7-14(19)11-21;1-8(19)11-5-13(20-2)9(7-18-11)14-6-12-15(21-14)10(16)3-4-17-12;1-8(2)6-3-4-7-5-6;/h4-6,9,12-14,16,21-22H,7-8,10-11,17-18H2,1-3H3;3-5,7,9-11,13,17H,6,8,14H2,1-2H3;2-4,6,8-10,12,16H,5,7,13H2,1H3,(H,31,32);5-6,9,14H,7-8,11H2,1-4H3;3-7H,1-2H3;6-7H,3-5H2,1-2H3;1H4/t21-,22-;17-;16-;14-;;6-;/m1111.1./s1
• InChIKey: BIMMZCSXOCRPRT-MNTJULAISA-N
• XLogP: 20.92
• TPSA: 438.67 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 34
• Rotatable Bonds: 22
• Heavy Atoms: 163
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2234.69
LogP ≤ 5	20.92
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	34

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-[5-(7-chlorofuro[3,2-b]pyridin-2-yl)-4-methoxy-2-pyridinyl]ethanone;5-[7-[3-cyano-4-[(3R)-3-fluoropyrrolidin-1-yl]phenyl]furo[3,2-b]pyridin-2-yl]-4-methoxypyridine-2-carboxylic acid;5-[2-[6-[(3R)-3-(dimethylamino)pyrrolidine-1-carbonyl]-4-methoxy-3-pyridinyl]furo[3,2-b]pyridin-7-yl]-2-[(3R)-3-fluoropyrrolidin-1-yl]benzonitrile;(3R)-N,N-dimethylpyrrolidin-3-amine;2-[(3R)-3-fluoropyrrolidin-1-yl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile;methane;methyl 5-[7-[3-cyano-4-[(3R)-3-fluoropyrrolidin-1-yl]phenyl]furo[3,2-b]pyridin-2-yl]-4-methoxypyridine-2-carboxylate?

The IUPAC name of 1-[5-(7-chlorofuro[3,2-b]pyridin-2-yl)-4-methoxy-2-pyridinyl]ethanone;5-[7-[3-cyano-4-[(3R)-3-fluoropyrrolidin-1-yl]phenyl]furo[3,2-b]pyridin-2-yl]-4-methoxypyridine-2-carboxylic acid;5-[2-[6-[(3R)-3-(dimethylamino)pyrrolidine-1-carbonyl]-4-methoxy-3-pyridinyl]furo[3,2-b]pyridin-7-yl]-2-[(3R)-3-fluoropyrrolidin-1-yl]benzonitrile;(3R)-N,N-dimethylpyrrolidin-3-amine;2-[(3R)-3-fluoropyrrolidin-1-yl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile;methane;methyl 5-[7-[3-cyano-4-[(3R)-3-fluoropyrrolidin-1-yl]phenyl]furo[3,2-b]pyridin-2-yl]-4-methoxypyridine-2-carboxylate (CID 157359738) is 1-[5-(7-chlorofuro[3,2-b]pyridin-2-yl)-4-methoxy-2-pyridinyl]ethanone;5-[7-[3-cyano-4-[(3R)-3-fluoropyrrolidin-1-yl]phenyl]furo[3,2-b]pyridin-2-yl]-4-methoxypyridine-2-carboxylic acid;5-[2-[6-[(3R)-3-(dimethylamino)pyrrolidine-1-carbonyl]-4-methoxy-3-pyridinyl]furo[3,2-b]pyridin-7-yl]-2-[(3R)-3-fluoropyrrolidin-1-yl]benzonitrile;(3R)-N,N-dimethylpyrrolidin-3-amine;2-[(3R)-3-fluoropyrrolidin-1-yl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile;methane;methyl 5-[7-[3-cyano-4-[(3R)-3-fluoropyrrolidin-1-yl]phenyl]furo[3,2-b]pyridin-2-yl]-4-methoxypyridine-2-carboxylate.

What is the SMILES notation for 1-[5-(7-chlorofuro[3,2-b]pyridin-2-yl)-4-methoxy-2-pyridinyl]ethanone;5-[7-[3-cyano-4-[(3R)-3-fluoropyrrolidin-1-yl]phenyl]furo[3,2-b]pyridin-2-yl]-4-methoxypyridine-2-carboxylic acid;5-[2-[6-[(3R)-3-(dimethylamino)pyrrolidine-1-carbonyl]-4-methoxy-3-pyridinyl]furo[3,2-b]pyridin-7-yl]-2-[(3R)-3-fluoropyrrolidin-1-yl]benzonitrile;(3R)-N,N-dimethylpyrrolidin-3-amine;2-[(3R)-3-fluoropyrrolidin-1-yl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile;methane;methyl 5-[7-[3-cyano-4-[(3R)-3-fluoropyrrolidin-1-yl]phenyl]furo[3,2-b]pyridin-2-yl]-4-methoxypyridine-2-carboxylate?

The canonical SMILES for 1-[5-(7-chlorofuro[3,2-b]pyridin-2-yl)-4-methoxy-2-pyridinyl]ethanone;5-[7-[3-cyano-4-[(3R)-3-fluoropyrrolidin-1-yl]phenyl]furo[3,2-b]pyridin-2-yl]-4-methoxypyridine-2-carboxylic acid;5-[2-[6-[(3R)-3-(dimethylamino)pyrrolidine-1-carbonyl]-4-methoxy-3-pyridinyl]furo[3,2-b]pyridin-7-yl]-2-[(3R)-3-fluoropyrrolidin-1-yl]benzonitrile;(3R)-N,N-dimethylpyrrolidin-3-amine;2-[(3R)-3-fluoropyrrolidin-1-yl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile;methane;methyl 5-[7-[3-cyano-4-[(3R)-3-fluoropyrrolidin-1-yl]phenyl]furo[3,2-b]pyridin-2-yl]-4-methoxypyridine-2-carboxylate is C.CC1(C)OB(c2ccc(N3CC[C@@H](F)C3)c(C#N)c2)OC1(C)C.CN(C)[C@@H]1CCNC1.COC(=O)c1cc(OC)c(-c2cc3nccc(-c4ccc(N5CC[C@@H](F)C5)c(C#N)c4)c3o2)cn1.COc1cc(C(=O)N2CC[C@@H](N(C)C)C2)ncc1-c1cc2nccc(-c3ccc(N4CC[C@@H](F)C4)c(C#N)c3)c2o1.COc1cc(C(=O)O)ncc1-c1cc2nccc(-c3ccc(N4CC[C@@H](F)C4)c(C#N)c3)c2o1.COc1cc(C(C)=O)ncc1-c1cc2nccc(Cl)c2o1.

What is the InChIKey of 1-[5-(7-chlorofuro[3,2-b]pyridin-2-yl)-4-methoxy-2-pyridinyl]ethanone;5-[7-[3-cyano-4-[(3R)-3-fluoropyrrolidin-1-yl]phenyl]furo[3,2-b]pyridin-2-yl]-4-methoxypyridine-2-carboxylic acid;5-[2-[6-[(3R)-3-(dimethylamino)pyrrolidine-1-carbonyl]-4-methoxy-3-pyridinyl]furo[3,2-b]pyridin-7-yl]-2-[(3R)-3-fluoropyrrolidin-1-yl]benzonitrile;(3R)-N,N-dimethylpyrrolidin-3-amine;2-[(3R)-3-fluoropyrrolidin-1-yl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile;methane;methyl 5-[7-[3-cyano-4-[(3R)-3-fluoropyrrolidin-1-yl]phenyl]furo[3,2-b]pyridin-2-yl]-4-methoxypyridine-2-carboxylate?

The InChIKey is BIMMZCSXOCRPRT-MNTJULAISA-N. The full InChI is InChI=1S/C31H31FN6O3.C26H21FN4O4.C25H19FN4O4.C17H22BFN2O2.C15H11ClN2O3.C6H14N2.CH4/c1-36(2)22-8-11-38(18-22)31(39)26-14-28(40-3)24(16-35-26)29-13-25-30(41-29)23(6-9-34-25)19-4-5-27(20(12-19)15-33)37-10-7-21(32)17-37;1-33-23-11-21(26(32)34-2)30-13-19(23)24-10-20-25(35-24)18(5-7-29-20)15-3-4-22(16(9-15)12-28)31-8-6-17(27)14-31;1-33-22-10-20(25(31)32)29-12-18(22)23-9-19-24(34-23)17(4-6-28-19)14-2-3-21(15(8-14)11-27)30-7-5-16(26)13-30;1-16(2)17(3,4)23-18(22-16)13-5-6-15(12(9-13)10-20)21-8-7-14(19)11-21;1-8(19)11-5-13(20-2)9(7-18-11)14-6-12-15(21-14)10(16)3-4-17-12;1-8(2)6-3-4-7-5-6;/h4-6,9,12-14,16,21-22H,7-8,10-11,17-18H2,1-3H3;3-5,7,9-11,13,17H,6,8,14H2,1-2H3;2-4,6,8-10,12,16H,5,7,13H2,1H3,(H,31,32);5-6,9,14H,7-8,11H2,1-4H3;3-7H,1-2H3;6-7H,3-5H2,1-2H3;1H4/t21-,22-;17-;16-;14-;;6-;/m1111.1./s1.

What are the key properties of 1-[5-(7-chlorofuro[3,2-b]pyridin-2-yl)-4-methoxy-2-pyridinyl]ethanone;5-[7-[3-cyano-4-[(3R)-3-fluoropyrrolidin-1-yl]phenyl]furo[3,2-b]pyridin-2-yl]-4-methoxypyridine-2-carboxylic acid;5-[2-[6-[(3R)-3-(dimethylamino)pyrrolidine-1-carbonyl]-4-methoxy-3-pyridinyl]furo[3,2-b]pyridin-7-yl]-2-[(3R)-3-fluoropyrrolidin-1-yl]benzonitrile;(3R)-N,N-dimethylpyrrolidin-3-amine;2-[(3R)-3-fluoropyrrolidin-1-yl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile;methane;methyl 5-[7-[3-cyano-4-[(3R)-3-fluoropyrrolidin-1-yl]phenyl]furo[3,2-b]pyridin-2-yl]-4-methoxypyridine-2-carboxylate?

1-[5-(7-chlorofuro[3,2-b]pyridin-2-yl)-4-methoxy-2-pyridinyl]ethanone;5-[7-[3-cyano-4-[(3R)-3-fluoropyrrolidin-1-yl]phenyl]furo[3,2-b]pyridin-2-yl]-4-methoxypyridine-2-carboxylic acid;5-[2-[6-[(3R)-3-(dimethylamino)pyrrolidine-1-carbonyl]-4-methoxy-3-pyridinyl]furo[3,2-b]pyridin-7-yl]-2-[(3R)-3-fluoropyrrolidin-1-yl]benzonitrile;(3R)-N,N-dimethylpyrrolidin-3-amine;2-[(3R)-3-fluoropyrrolidin-1-yl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile;methane;methyl 5-[7-[3-cyano-4-[(3R)-3-fluoropyrrolidin-1-yl]phenyl]furo[3,2-b]pyridin-2-yl]-4-methoxypyridine-2-carboxylate has a molecular weight of 2234.69 g/mol, XLogP of 20.92, 22 rotatable bonds, 2 hydrogen bond donors, and 34 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[5-(7-chlorofuro[3,2-b]pyridin-2-yl)-4-methoxy-2-pyridinyl]ethanone;5-[7-[3-cyano-4-[(3R)-3-fluoropyrrolidin-1-yl]phenyl]furo[3,2-b]pyridin-2-yl]-4-methoxypyridine-2-carboxylic acid;5-[2-[6-[(3R)-3-(dimethylamino)pyrrolidine-1-carbonyl]-4-methoxy-3-pyridinyl]furo[3,2-b]pyridin-7-yl]-2-[(3R)-3-fluoropyrrolidin-1-yl]benzonitrile;(3R)-N,N-dimethylpyrrolidin-3-amine;2-[(3R)-3-fluoropyrrolidin-1-yl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile;methane;methyl 5-[7-[3-cyano-4-[(3R)-3-fluoropyrrolidin-1-yl]phenyl]furo[3,2-b]pyridin-2-yl]-4-methoxypyridine-2-carboxylate is sourced from PubChem (CID 157359738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).