2-[[6-(4-amino-7-methylpyrrolo[2,3-d]pyrimidin-5-yl)-3-pyridinyl]methylamino]-5-(1,1-difluoroethyl)-N-(4-fluorophenyl)pyridine-3-carboxamide;3-[[4-(3-amino-2H-pyrazolo[3,4-b]pyridin-5-yl)phenyl]methylamino]-6-(1,1-difluoroethyl)-N-(4-fluorophenyl)pyrazine-2-carboxamide;3-[[6-(3-amino-2H-pyrazolo[3,4-b]pyridin-5-yl)-3-pyridinyl]methylamino]-6-cyano-N-[(1S)-1-(3-fluoro-4-methylphenyl)ethyl]pyrazine-2-carboxamide;3-[[4-(4-amino-7H-pyrrolo[2,3-d]pyrimidin-5-yl)phenyl]methylamino]-6-cyano-N-[(1S)-1-(3-fluoro-4-methylphenyl)ethyl]pyrazine-2-carboxamide;3-[[4-(4-amino-7H-pyrrolo[2,3-d]pyrimidin-5-yl)phenyl]methylamino]-6-cyano-N-(4-methylphenyl)pyrazine-2-carboxamide

C134H112F8N44O5 — CID 159800147

About 2-[[6-(4-amino-7-methylpyrrolo[2,3-d]pyrimidin-5-yl)-3-pyridinyl]methylamino]-5-(1,1-difluoroethyl)-N-(4-fluorophenyl)pyridine-3-carboxamide;3-[[4-(3-amino-2H-pyrazolo[3,4-b]pyridin-5-yl)phenyl]methylamino]-6-(1,1-difluoroethyl)-N-(4-fluorophenyl)pyrazine-2-carboxamide;3-[[6-(3-amino-2H-pyrazolo[3,4-b]pyridin-5-yl)-3-pyridinyl]methylamino]-6-cyano-N-[(1S)-1-(3-fluoro-4-methylphenyl)ethyl]pyrazine-2-carboxamide;3-[[4-(4-amino-7H-pyrrolo[2,3-d]pyrimidin-5-yl)phenyl]methylamino]-6-cyano-N-[(1S)-1-(3-fluoro-4-methylphenyl)ethyl]pyrazine-2-carboxamide;3-[[4-(4-amino-7H-pyrrolo[2,3-d]pyrimidin-5-yl)phenyl]methylamino]-6-cyano-N-(4-methylphenyl)pyrazine-2-carboxamide

2-[[6-(4-amino-7-methylpyrrolo[2,3-d]pyrimidin-5-yl)-3-pyridinyl]methylamino]-5-(1,1-difluoroethyl)-N-(4-fluorophenyl)pyridine-3-carboxamide;3-[[4-(3-amino-2H-pyrazolo[3,4-b]pyridin-5-yl)phenyl]methylamino]-6-(1,1-difluoroethyl)-N-(4-fluorophenyl)pyrazine-2-carboxamide;3-[[6-(3-amino-2H-pyrazolo[3,4-b]pyridin-5-yl)-3-pyridinyl]methylamino]-6-cyano-N-[(1S)-1-(3-fluoro-4-methylphenyl)ethyl]pyrazine-2-carboxamide;3-[[4-(4-amino-7H-pyrrolo[2,3-d]pyrimidin-5-yl)phenyl]methylamino]-6-cyano-N-[(1S)-1-(3-fluoro-4-methylphenyl)ethyl]pyrazine-2-carboxamide;3-[[4-(4-amino-7H-pyrrolo[2,3-d]pyrimidin-5-yl)phenyl]methylamino]-6-cyano-N-(4-methylphenyl)pyrazine-2-carboxamide (PubChem CID 159800147) has the molecular formula C134H112F8N44O5 and a molecular weight of 2570.66 g/mol. Its IUPAC name is 2-[[6-(4-amino-7-methylpyrrolo[2,3-d]pyrimidin-5-yl)-3-pyridinyl]methylamino]-5-(1,1-difluoroethyl)-N-(4-fluorophenyl)pyridine-3-carboxamide;3-[[4-(3-amino-2H-pyrazolo[3,4-b]pyridin-5-yl)phenyl]methylamino]-6-(1,1-difluoroethyl)-N-(4-fluorophenyl)pyrazine-2-carboxamide;3-[[6-(3-amino-2H-pyrazolo[3,4-b]pyridin-5-yl)-3-pyridinyl]methylamino]-6-cyano-N-[(1S)-1-(3-fluoro-4-methylphenyl)ethyl]pyrazine-2-carboxamide;3-[[4-(4-amino-7H-pyrrolo[2,3-d]pyrimidin-5-yl)phenyl]methylamino]-6-cyano-N-[(1S)-1-(3-fluoro-4-methylphenyl)ethyl]pyrazine-2-carboxamide;3-[[4-(4-amino-7H-pyrrolo[2,3-d]pyrimidin-5-yl)phenyl]methylamino]-6-cyano-N-(4-methylphenyl)pyrazine-2-carboxamide.

Molecular Properties

• Compound Name: 2-[[6-(4-amino-7-methylpyrrolo[2,3-d]pyrimidin-5-yl)-3-pyridinyl]methylamino]-5-(1,1-difluoroethyl)-N-(4-fluorophenyl)pyridine-3-carboxamide;3-[[4-(3-amino-2H-pyrazolo[3,4-b]pyridin-5-yl)phenyl]methylamino]-6-(1,1-difluoroethyl)-N-(4-fluorophenyl)pyrazine-2-carboxamide;3-[[6-(3-amino-2H-pyrazolo[3,4-b]pyridin-5-yl)-3-pyridinyl]methylamino]-6-cyano-N-[(1S)-1-(3-fluoro-4-methylphenyl)ethyl]pyrazine-2-carboxamide;3-[[4-(4-amino-7H-pyrrolo[2,3-d]pyrimidin-5-yl)phenyl]methylamino]-6-cyano-N-[(1S)-1-(3-fluoro-4-methylphenyl)ethyl]pyrazine-2-carboxamide;3-[[4-(4-amino-7H-pyrrolo[2,3-d]pyrimidin-5-yl)phenyl]methylamino]-6-cyano-N-(4-methylphenyl)pyrazine-2-carboxamide
• PubChem CID: 159800147
• Molecular Formula: C134H112F8N44O5
• Molecular Weight: 2570.66 g/mol
• Exact Mass: 2568.97
• IUPAC Name: 2-[[6-(4-amino-7-methylpyrrolo[2,3-d]pyrimidin-5-yl)-3-pyridinyl]methylamino]-5-(1,1-difluoroethyl)-N-(4-fluorophenyl)pyridine-3-carboxamide;3-[[4-(3-amino-2H-pyrazolo[3,4-b]pyridin-5-yl)phenyl]methylamino]-6-(1,1-difluoroethyl)-N-(4-fluorophenyl)pyrazine-2-carboxamide;3-[[6-(3-amino-2H-pyrazolo[3,4-b]pyridin-5-yl)-3-pyridinyl]methylamino]-6-cyano-N-[(1S)-1-(3-fluoro-4-methylphenyl)ethyl]pyrazine-2-carboxamide;3-[[4-(4-amino-7H-pyrrolo[2,3-d]pyrimidin-5-yl)phenyl]methylamino]-6-cyano-N-[(1S)-1-(3-fluoro-4-methylphenyl)ethyl]pyrazine-2-carboxamide;3-[[4-(4-amino-7H-pyrrolo[2,3-d]pyrimidin-5-yl)phenyl]methylamino]-6-cyano-N-(4-methylphenyl)pyrazine-2-carboxamide
• SMILES: CC(F)(F)c1cnc(NCc2ccc(-c3cnc4n[nH]c(N)c4c3)cc2)c(C(=O)Nc2ccc(F)cc2)n1.Cc1ccc(NC(=O)c2nc(C#N)cnc2NCc2ccc(-c3c[nH]c4ncnc(N)c34)cc2)cc1.Cc1ccc([C@H](C)NC(=O)c2nc(C#N)cnc2NCc2ccc(-c3c[nH]c4ncnc(N)c34)cc2)cc1F.Cc1ccc([C@H](C)NC(=O)c2nc(C#N)cnc2NCc2ccc(-c3cnc4n[nH]c(N)c4c3)nc2)cc1F.Cn1cc(-c2ccc(CNc3ncc(C(C)(F)F)cc3C(=O)Nc3ccc(F)cc3)cn2)c2c(N)ncnc21
• InChI: InChI=1S/C28H24FN9O.C27H23F3N8O.C27H23FN10O.C26H21F3N8O.C26H21N9O/c1-15-3-6-19(9-22(15)29)16(2)37-28(39)24-27(33-12-20(10-30)38-24)32-11-17-4-7-18(8-5-17)21-13-34-26-23(21)25(31)35-14-36-26;1-27(29,30)16-9-19(26(39)37-18-6-4-17(28)5-7-18)24(34-12-16)33-11-15-3-8-21(32-10-15)20-13-38(2)25-22(20)23(31)35-14-36-25;1-14-3-5-17(8-21(14)28)15(2)35-27(39)23-26(34-13-19(9-29)36-23)32-11-16-4-6-22(31-10-16)18-7-20-24(30)37-38-25(20)33-12-18;1-26(28,29)20-13-33-24(21(35-20)25(38)34-18-8-6-17(27)7-9-18)31-11-14-2-4-15(5-3-14)16-10-19-22(30)36-37-23(19)32-12-16;1-15-2-8-18(9-3-15)35-26(36)22-25(30-12-19(10-27)34-22)29-11-16-4-6-17(7-5-16)20-13-31-24-21(20)23(28)32-14-33-24/h3-9,12-14,16H,11H2,1-2H3,(H,32,33)(H,37,39)(H3,31,34,35,36);3-10,12-14H,11H2,1-2H3,(H,33,34)(H,37,39)(H2,31,35,36);3-8,10,12-13,15H,11H2,1-2H3,(H,32,34)(H,35,39)(H3,30,33,37,38);2-10,12-13H,11H2,1H3,(H,31,33)(H,34,38)(H3,30,32,36,37);2-9,12-14H,11H2,1H3,(H,29,30)(H,35,36)(H3,28,31,32,33)/t16-;;15-;;/m0.0../s1
• InChIKey: NJRIYPNUXLXUGJ-OMKYHYCOSA-N
• XLogP: 22.51
• TPSA: 745.90 Ų
• H-Bond Donors: 19
• H-Bond Acceptors: 40
• Rotatable Bonds: 34
• Heavy Atoms: 191
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2570.66
LogP ≤ 5	22.51
H-Bond Donors ≤ 5	19
H-Bond Acceptors ≤ 10	40

Frequently Asked Questions

What is the IUPAC name of 2-[[6-(4-amino-7-methylpyrrolo[2,3-d]pyrimidin-5-yl)-3-pyridinyl]methylamino]-5-(1,1-difluoroethyl)-N-(4-fluorophenyl)pyridine-3-carboxamide;3-[[4-(3-amino-2H-pyrazolo[3,4-b]pyridin-5-yl)phenyl]methylamino]-6-(1,1-difluoroethyl)-N-(4-fluorophenyl)pyrazine-2-carboxamide;3-[[6-(3-amino-2H-pyrazolo[3,4-b]pyridin-5-yl)-3-pyridinyl]methylamino]-6-cyano-N-[(1S)-1-(3-fluoro-4-methylphenyl)ethyl]pyrazine-2-carboxamide;3-[[4-(4-amino-7H-pyrrolo[2,3-d]pyrimidin-5-yl)phenyl]methylamino]-6-cyano-N-[(1S)-1-(3-fluoro-4-methylphenyl)ethyl]pyrazine-2-carboxamide;3-[[4-(4-amino-7H-pyrrolo[2,3-d]pyrimidin-5-yl)phenyl]methylamino]-6-cyano-N-(4-methylphenyl)pyrazine-2-carboxamide?

The IUPAC name of 2-[[6-(4-amino-7-methylpyrrolo[2,3-d]pyrimidin-5-yl)-3-pyridinyl]methylamino]-5-(1,1-difluoroethyl)-N-(4-fluorophenyl)pyridine-3-carboxamide;3-[[4-(3-amino-2H-pyrazolo[3,4-b]pyridin-5-yl)phenyl]methylamino]-6-(1,1-difluoroethyl)-N-(4-fluorophenyl)pyrazine-2-carboxamide;3-[[6-(3-amino-2H-pyrazolo[3,4-b]pyridin-5-yl)-3-pyridinyl]methylamino]-6-cyano-N-[(1S)-1-(3-fluoro-4-methylphenyl)ethyl]pyrazine-2-carboxamide;3-[[4-(4-amino-7H-pyrrolo[2,3-d]pyrimidin-5-yl)phenyl]methylamino]-6-cyano-N-[(1S)-1-(3-fluoro-4-methylphenyl)ethyl]pyrazine-2-carboxamide;3-[[4-(4-amino-7H-pyrrolo[2,3-d]pyrimidin-5-yl)phenyl]methylamino]-6-cyano-N-(4-methylphenyl)pyrazine-2-carboxamide (CID 159800147) is 2-[[6-(4-amino-7-methylpyrrolo[2,3-d]pyrimidin-5-yl)-3-pyridinyl]methylamino]-5-(1,1-difluoroethyl)-N-(4-fluorophenyl)pyridine-3-carboxamide;3-[[4-(3-amino-2H-pyrazolo[3,4-b]pyridin-5-yl)phenyl]methylamino]-6-(1,1-difluoroethyl)-N-(4-fluorophenyl)pyrazine-2-carboxamide;3-[[6-(3-amino-2H-pyrazolo[3,4-b]pyridin-5-yl)-3-pyridinyl]methylamino]-6-cyano-N-[(1S)-1-(3-fluoro-4-methylphenyl)ethyl]pyrazine-2-carboxamide;3-[[4-(4-amino-7H-pyrrolo[2,3-d]pyrimidin-5-yl)phenyl]methylamino]-6-cyano-N-[(1S)-1-(3-fluoro-4-methylphenyl)ethyl]pyrazine-2-carboxamide;3-[[4-(4-amino-7H-pyrrolo[2,3-d]pyrimidin-5-yl)phenyl]methylamino]-6-cyano-N-(4-methylphenyl)pyrazine-2-carboxamide.

What is the SMILES notation for 2-[[6-(4-amino-7-methylpyrrolo[2,3-d]pyrimidin-5-yl)-3-pyridinyl]methylamino]-5-(1,1-difluoroethyl)-N-(4-fluorophenyl)pyridine-3-carboxamide;3-[[4-(3-amino-2H-pyrazolo[3,4-b]pyridin-5-yl)phenyl]methylamino]-6-(1,1-difluoroethyl)-N-(4-fluorophenyl)pyrazine-2-carboxamide;3-[[6-(3-amino-2H-pyrazolo[3,4-b]pyridin-5-yl)-3-pyridinyl]methylamino]-6-cyano-N-[(1S)-1-(3-fluoro-4-methylphenyl)ethyl]pyrazine-2-carboxamide;3-[[4-(4-amino-7H-pyrrolo[2,3-d]pyrimidin-5-yl)phenyl]methylamino]-6-cyano-N-[(1S)-1-(3-fluoro-4-methylphenyl)ethyl]pyrazine-2-carboxamide;3-[[4-(4-amino-7H-pyrrolo[2,3-d]pyrimidin-5-yl)phenyl]methylamino]-6-cyano-N-(4-methylphenyl)pyrazine-2-carboxamide?

The canonical SMILES for 2-[[6-(4-amino-7-methylpyrrolo[2,3-d]pyrimidin-5-yl)-3-pyridinyl]methylamino]-5-(1,1-difluoroethyl)-N-(4-fluorophenyl)pyridine-3-carboxamide;3-[[4-(3-amino-2H-pyrazolo[3,4-b]pyridin-5-yl)phenyl]methylamino]-6-(1,1-difluoroethyl)-N-(4-fluorophenyl)pyrazine-2-carboxamide;3-[[6-(3-amino-2H-pyrazolo[3,4-b]pyridin-5-yl)-3-pyridinyl]methylamino]-6-cyano-N-[(1S)-1-(3-fluoro-4-methylphenyl)ethyl]pyrazine-2-carboxamide;3-[[4-(4-amino-7H-pyrrolo[2,3-d]pyrimidin-5-yl)phenyl]methylamino]-6-cyano-N-[(1S)-1-(3-fluoro-4-methylphenyl)ethyl]pyrazine-2-carboxamide;3-[[4-(4-amino-7H-pyrrolo[2,3-d]pyrimidin-5-yl)phenyl]methylamino]-6-cyano-N-(4-methylphenyl)pyrazine-2-carboxamide is CC(F)(F)c1cnc(NCc2ccc(-c3cnc4n[nH]c(N)c4c3)cc2)c(C(=O)Nc2ccc(F)cc2)n1.Cc1ccc(NC(=O)c2nc(C#N)cnc2NCc2ccc(-c3c[nH]c4ncnc(N)c34)cc2)cc1.Cc1ccc([C@H](C)NC(=O)c2nc(C#N)cnc2NCc2ccc(-c3c[nH]c4ncnc(N)c34)cc2)cc1F.Cc1ccc([C@H](C)NC(=O)c2nc(C#N)cnc2NCc2ccc(-c3cnc4n[nH]c(N)c4c3)nc2)cc1F.Cn1cc(-c2ccc(CNc3ncc(C(C)(F)F)cc3C(=O)Nc3ccc(F)cc3)cn2)c2c(N)ncnc21.

What is the InChIKey of 2-[[6-(4-amino-7-methylpyrrolo[2,3-d]pyrimidin-5-yl)-3-pyridinyl]methylamino]-5-(1,1-difluoroethyl)-N-(4-fluorophenyl)pyridine-3-carboxamide;3-[[4-(3-amino-2H-pyrazolo[3,4-b]pyridin-5-yl)phenyl]methylamino]-6-(1,1-difluoroethyl)-N-(4-fluorophenyl)pyrazine-2-carboxamide;3-[[6-(3-amino-2H-pyrazolo[3,4-b]pyridin-5-yl)-3-pyridinyl]methylamino]-6-cyano-N-[(1S)-1-(3-fluoro-4-methylphenyl)ethyl]pyrazine-2-carboxamide;3-[[4-(4-amino-7H-pyrrolo[2,3-d]pyrimidin-5-yl)phenyl]methylamino]-6-cyano-N-[(1S)-1-(3-fluoro-4-methylphenyl)ethyl]pyrazine-2-carboxamide;3-[[4-(4-amino-7H-pyrrolo[2,3-d]pyrimidin-5-yl)phenyl]methylamino]-6-cyano-N-(4-methylphenyl)pyrazine-2-carboxamide?

The InChIKey is NJRIYPNUXLXUGJ-OMKYHYCOSA-N. The full InChI is InChI=1S/C28H24FN9O.C27H23F3N8O.C27H23FN10O.C26H21F3N8O.C26H21N9O/c1-15-3-6-19(9-22(15)29)16(2)37-28(39)24-27(33-12-20(10-30)38-24)32-11-17-4-7-18(8-5-17)21-13-34-26-23(21)25(31)35-14-36-26;1-27(29,30)16-9-19(26(39)37-18-6-4-17(28)5-7-18)24(34-12-16)33-11-15-3-8-21(32-10-15)20-13-38(2)25-22(20)23(31)35-14-36-25;1-14-3-5-17(8-21(14)28)15(2)35-27(39)23-26(34-13-19(9-29)36-23)32-11-16-4-6-22(31-10-16)18-7-20-24(30)37-38-25(20)33-12-18;1-26(28,29)20-13-33-24(21(35-20)25(38)34-18-8-6-17(27)7-9-18)31-11-14-2-4-15(5-3-14)16-10-19-22(30)36-37-23(19)32-12-16;1-15-2-8-18(9-3-15)35-26(36)22-25(30-12-19(10-27)34-22)29-11-16-4-6-17(7-5-16)20-13-31-24-21(20)23(28)32-14-33-24/h3-9,12-14,16H,11H2,1-2H3,(H,32,33)(H,37,39)(H3,31,34,35,36);3-10,12-14H,11H2,1-2H3,(H,33,34)(H,37,39)(H2,31,35,36);3-8,10,12-13,15H,11H2,1-2H3,(H,32,34)(H,35,39)(H3,30,33,37,38);2-10,12-13H,11H2,1H3,(H,31,33)(H,34,38)(H3,30,32,36,37);2-9,12-14H,11H2,1H3,(H,29,30)(H,35,36)(H3,28,31,32,33)/t16-;;15-;;/m0.0../s1.

What are the key properties of 2-[[6-(4-amino-7-methylpyrrolo[2,3-d]pyrimidin-5-yl)-3-pyridinyl]methylamino]-5-(1,1-difluoroethyl)-N-(4-fluorophenyl)pyridine-3-carboxamide;3-[[4-(3-amino-2H-pyrazolo[3,4-b]pyridin-5-yl)phenyl]methylamino]-6-(1,1-difluoroethyl)-N-(4-fluorophenyl)pyrazine-2-carboxamide;3-[[6-(3-amino-2H-pyrazolo[3,4-b]pyridin-5-yl)-3-pyridinyl]methylamino]-6-cyano-N-[(1S)-1-(3-fluoro-4-methylphenyl)ethyl]pyrazine-2-carboxamide;3-[[4-(4-amino-7H-pyrrolo[2,3-d]pyrimidin-5-yl)phenyl]methylamino]-6-cyano-N-[(1S)-1-(3-fluoro-4-methylphenyl)ethyl]pyrazine-2-carboxamide;3-[[4-(4-amino-7H-pyrrolo[2,3-d]pyrimidin-5-yl)phenyl]methylamino]-6-cyano-N-(4-methylphenyl)pyrazine-2-carboxamide?

2-[[6-(4-amino-7-methylpyrrolo[2,3-d]pyrimidin-5-yl)-3-pyridinyl]methylamino]-5-(1,1-difluoroethyl)-N-(4-fluorophenyl)pyridine-3-carboxamide;3-[[4-(3-amino-2H-pyrazolo[3,4-b]pyridin-5-yl)phenyl]methylamino]-6-(1,1-difluoroethyl)-N-(4-fluorophenyl)pyrazine-2-carboxamide;3-[[6-(3-amino-2H-pyrazolo[3,4-b]pyridin-5-yl)-3-pyridinyl]methylamino]-6-cyano-N-[(1S)-1-(3-fluoro-4-methylphenyl)ethyl]pyrazine-2-carboxamide;3-[[4-(4-amino-7H-pyrrolo[2,3-d]pyrimidin-5-yl)phenyl]methylamino]-6-cyano-N-[(1S)-1-(3-fluoro-4-methylphenyl)ethyl]pyrazine-2-carboxamide;3-[[4-(4-amino-7H-pyrrolo[2,3-d]pyrimidin-5-yl)phenyl]methylamino]-6-cyano-N-(4-methylphenyl)pyrazine-2-carboxamide has a molecular weight of 2570.66 g/mol, XLogP of 22.51, 34 rotatable bonds, 19 hydrogen bond donors, and 40 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[6-(4-amino-7-methylpyrrolo[2,3-d]pyrimidin-5-yl)-3-pyridinyl]methylamino]-5-(1,1-difluoroethyl)-N-(4-fluorophenyl)pyridine-3-carboxamide;3-[[4-(3-amino-2H-pyrazolo[3,4-b]pyridin-5-yl)phenyl]methylamino]-6-(1,1-difluoroethyl)-N-(4-fluorophenyl)pyrazine-2-carboxamide;3-[[6-(3-amino-2H-pyrazolo[3,4-b]pyridin-5-yl)-3-pyridinyl]methylamino]-6-cyano-N-[(1S)-1-(3-fluoro-4-methylphenyl)ethyl]pyrazine-2-carboxamide;3-[[4-(4-amino-7H-pyrrolo[2,3-d]pyrimidin-5-yl)phenyl]methylamino]-6-cyano-N-[(1S)-1-(3-fluoro-4-methylphenyl)ethyl]pyrazine-2-carboxamide;3-[[4-(4-amino-7H-pyrrolo[2,3-d]pyrimidin-5-yl)phenyl]methylamino]-6-cyano-N-(4-methylphenyl)pyrazine-2-carboxamide is sourced from PubChem (CID 159800147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).