5-[4-(aminomethyl)phenyl]-2H-pyrazolo[3,4-b]pyridin-3-amine;3-[[4-(3-amino-2H-pyrazolo[3,4-b]pyridin-5-yl)phenyl]methylamino]-6-cyano-N-[(1S)-1-(3,4-difluorophenyl)ethyl]pyrazine-2-carboxamide;2-[[4-(3-amino-2H-pyrazolo[3,4-b]pyridin-5-yl)phenyl]methylamino]-5-cyano-N-(4-fluorophenyl)pyridine-3-carboxamide;5-[[4-(3-amino-2H-pyrazolo[3,4-b]pyridin-5-yl)phenyl]methylamino]-3-[(3,4-difluorophenyl)methyl]pyrido[4,3-d]pyrimidin-4-one;3-[[4-(3-amino-2H-pyrazolo[3,4-b]pyridin-5-yl)phenyl]methylamino]-N-(4-fluorophenyl)-6-(trifluoromethyl)pyrazine-2-carboxamide;5-bromo-2H-pyrazolo[3,4-b]pyridin-3-amine;tert-butyl N-[[4-(3-amino-2H-pyrazolo[3,4-b]pyridin-5-yl)phenyl]methyl]carbamate;5-chloro-3-[(3,4-difluorophenyl)methyl]pyrido[4,3-d]pyrimidin-4-one;6-cyano-N-[(1S)-1-(3,4-difluorophenyl)ethyl]-3-fluoropyrazine-2-carboxamide;2-(4-ethylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;3-fluoro-N-(4-fluorophenyl)-6-(trifluoromethyl)pyrazine-2-carboxamide;2-fluoro-N-(4-fluorophenyl)-5-(trifluoromethyl)pyridine-3-carboxamide

C209H168BBrClF24N59O12 — CID 158326980

About 5-[4-(aminomethyl)phenyl]-2H-pyrazolo[3,4-b]pyridin-3-amine;3-[[4-(3-amino-2H-pyrazolo[3,4-b]pyridin-5-yl)phenyl]methylamino]-6-cyano-N-[(1S)-1-(3,4-difluorophenyl)ethyl]pyrazine-2-carboxamide;2-[[4-(3-amino-2H-pyrazolo[3,4-b]pyridin-5-yl)phenyl]methylamino]-5-cyano-N-(4-fluorophenyl)pyridine-3-carboxamide;5-[[4-(3-amino-2H-pyrazolo[3,4-b]pyridin-5-yl)phenyl]methylamino]-3-[(3,4-difluorophenyl)methyl]pyrido[4,3-d]pyrimidin-4-one;3-[[4-(3-amino-2H-pyrazolo[3,4-b]pyridin-5-yl)phenyl]methylamino]-N-(4-fluorophenyl)-6-(trifluoromethyl)pyrazine-2-carboxamide;5-bromo-2H-pyrazolo[3,4-b]pyridin-3-amine;tert-butyl N-[[4-(3-amino-2H-pyrazolo[3,4-b]pyridin-5-yl)phenyl]methyl]carbamate;5-chloro-3-[(3,4-difluorophenyl)methyl]pyrido[4,3-d]pyrimidin-4-one;6-cyano-N-[(1S)-1-(3,4-difluorophenyl)ethyl]-3-fluoropyrazine-2-carboxamide;2-(4-ethylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;3-fluoro-N-(4-fluorophenyl)-6-(trifluoromethyl)pyrazine-2-carboxamide;2-fluoro-N-(4-fluorophenyl)-5-(trifluoromethyl)pyridine-3-carboxamide

5-[4-(aminomethyl)phenyl]-2H-pyrazolo[3,4-b]pyridin-3-amine;3-[[4-(3-amino-2H-pyrazolo[3,4-b]pyridin-5-yl)phenyl]methylamino]-6-cyano-N-[(1S)-1-(3,4-difluorophenyl)ethyl]pyrazine-2-carboxamide;2-[[4-(3-amino-2H-pyrazolo[3,4-b]pyridin-5-yl)phenyl]methylamino]-5-cyano-N-(4-fluorophenyl)pyridine-3-carboxamide;5-[[4-(3-amino-2H-pyrazolo[3,4-b]pyridin-5-yl)phenyl]methylamino]-3-[(3,4-difluorophenyl)methyl]pyrido[4,3-d]pyrimidin-4-one;3-[[4-(3-amino-2H-pyrazolo[3,4-b]pyridin-5-yl)phenyl]methylamino]-N-(4-fluorophenyl)-6-(trifluoromethyl)pyrazine-2-carboxamide;5-bromo-2H-pyrazolo[3,4-b]pyridin-3-amine;tert-butyl N-[[4-(3-amino-2H-pyrazolo[3,4-b]pyridin-5-yl)phenyl]methyl]carbamate;5-chloro-3-[(3,4-difluorophenyl)methyl]pyrido[4,3-d]pyrimidin-4-one;6-cyano-N-[(1S)-1-(3,4-difluorophenyl)ethyl]-3-fluoropyrazine-2-carboxamide;2-(4-ethylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;3-fluoro-N-(4-fluorophenyl)-6-(trifluoromethyl)pyrazine-2-carboxamide;2-fluoro-N-(4-fluorophenyl)-5-(trifluoromethyl)pyridine-3-carboxamide (PubChem CID 158326980) has the molecular formula C209H168BBrClF24N59O12 and a molecular weight of 4280.16 g/mol. Its IUPAC name is 5-[4-(aminomethyl)phenyl]-2H-pyrazolo[3,4-b]pyridin-3-amine;3-[[4-(3-amino-2H-pyrazolo[3,4-b]pyridin-5-yl)phenyl]methylamino]-6-cyano-N-[(1S)-1-(3,4-difluorophenyl)ethyl]pyrazine-2-carboxamide;2-[[4-(3-amino-2H-pyrazolo[3,4-b]pyridin-5-yl)phenyl]methylamino]-5-cyano-N-(4-fluorophenyl)pyridine-3-carboxamide;5-[[4-(3-amino-2H-pyrazolo[3,4-b]pyridin-5-yl)phenyl]methylamino]-3-[(3,4-difluorophenyl)methyl]pyrido[4,3-d]pyrimidin-4-one;3-[[4-(3-amino-2H-pyrazolo[3,4-b]pyridin-5-yl)phenyl]methylamino]-N-(4-fluorophenyl)-6-(trifluoromethyl)pyrazine-2-carboxamide;5-bromo-2H-pyrazolo[3,4-b]pyridin-3-amine;tert-butyl N-[[4-(3-amino-2H-pyrazolo[3,4-b]pyridin-5-yl)phenyl]methyl]carbamate;5-chloro-3-[(3,4-difluorophenyl)methyl]pyrido[4,3-d]pyrimidin-4-one;6-cyano-N-[(1S)-1-(3,4-difluorophenyl)ethyl]-3-fluoropyrazine-2-carboxamide;2-(4-ethylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;3-fluoro-N-(4-fluorophenyl)-6-(trifluoromethyl)pyrazine-2-carboxamide;2-fluoro-N-(4-fluorophenyl)-5-(trifluoromethyl)pyridine-3-carboxamide.

Molecular Properties

• Compound Name: 5-[4-(aminomethyl)phenyl]-2H-pyrazolo[3,4-b]pyridin-3-amine;3-[[4-(3-amino-2H-pyrazolo[3,4-b]pyridin-5-yl)phenyl]methylamino]-6-cyano-N-[(1S)-1-(3,4-difluorophenyl)ethyl]pyrazine-2-carboxamide;2-[[4-(3-amino-2H-pyrazolo[3,4-b]pyridin-5-yl)phenyl]methylamino]-5-cyano-N-(4-fluorophenyl)pyridine-3-carboxamide;5-[[4-(3-amino-2H-pyrazolo[3,4-b]pyridin-5-yl)phenyl]methylamino]-3-[(3,4-difluorophenyl)methyl]pyrido[4,3-d]pyrimidin-4-one;3-[[4-(3-amino-2H-pyrazolo[3,4-b]pyridin-5-yl)phenyl]methylamino]-N-(4-fluorophenyl)-6-(trifluoromethyl)pyrazine-2-carboxamide;5-bromo-2H-pyrazolo[3,4-b]pyridin-3-amine;tert-butyl N-[[4-(3-amino-2H-pyrazolo[3,4-b]pyridin-5-yl)phenyl]methyl]carbamate;5-chloro-3-[(3,4-difluorophenyl)methyl]pyrido[4,3-d]pyrimidin-4-one;6-cyano-N-[(1S)-1-(3,4-difluorophenyl)ethyl]-3-fluoropyrazine-2-carboxamide;2-(4-ethylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;3-fluoro-N-(4-fluorophenyl)-6-(trifluoromethyl)pyrazine-2-carboxamide;2-fluoro-N-(4-fluorophenyl)-5-(trifluoromethyl)pyridine-3-carboxamide
• PubChem CID: 158326980
• Molecular Formula: C209H168BBrClF24N59O12
• Molecular Weight: 4280.16 g/mol
• Exact Mass: 4276.29
• IUPAC Name: 5-[4-(aminomethyl)phenyl]-2H-pyrazolo[3,4-b]pyridin-3-amine;3-[[4-(3-amino-2H-pyrazolo[3,4-b]pyridin-5-yl)phenyl]methylamino]-6-cyano-N-[(1S)-1-(3,4-difluorophenyl)ethyl]pyrazine-2-carboxamide;2-[[4-(3-amino-2H-pyrazolo[3,4-b]pyridin-5-yl)phenyl]methylamino]-5-cyano-N-(4-fluorophenyl)pyridine-3-carboxamide;5-[[4-(3-amino-2H-pyrazolo[3,4-b]pyridin-5-yl)phenyl]methylamino]-3-[(3,4-difluorophenyl)methyl]pyrido[4,3-d]pyrimidin-4-one;3-[[4-(3-amino-2H-pyrazolo[3,4-b]pyridin-5-yl)phenyl]methylamino]-N-(4-fluorophenyl)-6-(trifluoromethyl)pyrazine-2-carboxamide;5-bromo-2H-pyrazolo[3,4-b]pyridin-3-amine;tert-butyl N-[[4-(3-amino-2H-pyrazolo[3,4-b]pyridin-5-yl)phenyl]methyl]carbamate;5-chloro-3-[(3,4-difluorophenyl)methyl]pyrido[4,3-d]pyrimidin-4-one;6-cyano-N-[(1S)-1-(3,4-difluorophenyl)ethyl]-3-fluoropyrazine-2-carboxamide;2-(4-ethylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;3-fluoro-N-(4-fluorophenyl)-6-(trifluoromethyl)pyrazine-2-carboxamide;2-fluoro-N-(4-fluorophenyl)-5-(trifluoromethyl)pyridine-3-carboxamide
• SMILES: CC(C)(C)OC(=O)NCc1ccc(-c2cnc3n[nH]c(N)c3c2)cc1.CCc1ccc(B2OC(C)(C)C(C)(C)O2)cc1.C[C@H](NC(=O)c1nc(C#N)cnc1F)c1ccc(F)c(F)c1.C[C@H](NC(=O)c1nc(C#N)cnc1NCc1ccc(-c2cnc3n[nH]c(N)c3c2)cc1)c1ccc(F)c(F)c1.N#Cc1cnc(NCc2ccc(-c3cnc4n[nH]c(N)c4c3)cc2)c(C(=O)Nc2ccc(F)cc2)c1.NCc1ccc(-c2cnc3n[nH]c(N)c3c2)cc1.Nc1[nH]nc2ncc(-c3ccc(CNc4ncc(C(F)(F)F)nc4C(=O)Nc4ccc(F)cc4)cc3)cc12.Nc1[nH]nc2ncc(-c3ccc(CNc4nccc5ncn(Cc6ccc(F)c(F)c6)c(=O)c45)cc3)cc12.Nc1[nH]nc2ncc(Br)cc12.O=C(Nc1ccc(F)cc1)c1cc(C(F)(F)F)cnc1F.O=C(Nc1ccc(F)cc1)c1nc(C(F)(F)F)cnc1F.O=c1c2c(Cl)nccc2ncn1Cc1ccc(F)c(F)c1
• InChI: InChI=1S/C27H21F2N9O.C27H20F2N8O.C26H19FN8O.C25H18F4N8O.C18H21N5O2.C14H21BO2.C14H8ClF2N3O.C14H9F3N4O.C13H7F5N2O.C13H13N5.C12H6F5N3O.C6H5BrN4/c1-14(17-6-7-21(28)22(29)9-17)35-27(39)23-26(34-13-19(10-30)36-23)32-11-15-2-4-16(5-3-15)18-8-20-24(31)37-38-25(20)33-12-18;28-20-6-3-16(9-21(20)29)13-37-14-34-22-7-8-31-26(23(22)27(37)38)32-11-15-1-4-17(5-2-15)18-10-19-24(30)35-36-25(19)33-12-18;27-19-5-7-20(8-6-19)33-26(36)22-9-16(11-28)13-31-24(22)30-12-15-1-3-17(4-2-15)18-10-21-23(29)34-35-25(21)32-14-18;26-16-5-7-17(8-6-16)34-24(38)20-23(33-12-19(35-20)25(27,28)29)31-10-13-1-3-14(4-2-13)15-9-18-21(30)36-37-22(18)32-11-15;1-18(2,3)25-17(24)21-9-11-4-6-12(7-5-11)13-8-14-15(19)22-23-16(14)20-10-13;1-6-11-7-9-12(10-8-11)15-16-13(2,3)14(4,5)17-15;15-13-12-11(3-4-18-13)19-7-20(14(12)21)6-8-1-2-9(16)10(17)5-8;1-7(8-2-3-10(15)11(16)4-8)20-14(22)12-13(17)19-6-9(5-18)21-12;14-8-1-3-9(4-2-8)20-12(21)10-5-7(13(16,17)18)6-19-11(10)15;14-6-8-1-3-9(4-2-8)10-5-11-12(15)17-18-13(11)16-7-10;13-6-1-3-7(4-2-6)19-11(21)9-10(14)18-5-8(20-9)12(15,16)17;7-3-1-4-5(8)10-11-6(4)9-2-3/h2-9,12-14H,11H2,1H3,(H,32,34)(H,35,39)(H3,31,33,37,38);1-10,12,14H,11,13H2,(H,31,32)(H3,30,33,35,36);1-10,13-14H,12H2,(H,30,31)(H,33,36)(H3,29,32,34,35);1-9,11-12H,10H2,(H,31,33)(H,34,38)(H3,30,32,36,37);4-8,10H,9H2,1-3H3,(H,21,24)(H3,19,20,22,23);7-10H,6H2,1-5H3;1-5,7H,6H2;2-4,6-7H,1H3,(H,20,22);1-6H,(H,20,21);1-5,7H,6,14H2,(H3,15,16,17,18);1-5H,(H,19,21);1-2H,(H3,8,9,10,11)/t14-;;;;;;;7-;;;;/m0......0..../s1
• InChIKey: GPNMEXZVCBZDOS-IZIMNUMYSA-N
• XLogP: 38.43
• TPSA: 1074.49 Ų
• H-Bond Donors: 26
• H-Bond Acceptors: 57
• Rotatable Bonds: 41
• Heavy Atoms: 307
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	4280.16
LogP ≤ 5	38.43
H-Bond Donors ≤ 5	26
H-Bond Acceptors ≤ 10	57

Frequently Asked Questions

What is the IUPAC name of 5-[4-(aminomethyl)phenyl]-2H-pyrazolo[3,4-b]pyridin-3-amine;3-[[4-(3-amino-2H-pyrazolo[3,4-b]pyridin-5-yl)phenyl]methylamino]-6-cyano-N-[(1S)-1-(3,4-difluorophenyl)ethyl]pyrazine-2-carboxamide;2-[[4-(3-amino-2H-pyrazolo[3,4-b]pyridin-5-yl)phenyl]methylamino]-5-cyano-N-(4-fluorophenyl)pyridine-3-carboxamide;5-[[4-(3-amino-2H-pyrazolo[3,4-b]pyridin-5-yl)phenyl]methylamino]-3-[(3,4-difluorophenyl)methyl]pyrido[4,3-d]pyrimidin-4-one;3-[[4-(3-amino-2H-pyrazolo[3,4-b]pyridin-5-yl)phenyl]methylamino]-N-(4-fluorophenyl)-6-(trifluoromethyl)pyrazine-2-carboxamide;5-bromo-2H-pyrazolo[3,4-b]pyridin-3-amine;tert-butyl N-[[4-(3-amino-2H-pyrazolo[3,4-b]pyridin-5-yl)phenyl]methyl]carbamate;5-chloro-3-[(3,4-difluorophenyl)methyl]pyrido[4,3-d]pyrimidin-4-one;6-cyano-N-[(1S)-1-(3,4-difluorophenyl)ethyl]-3-fluoropyrazine-2-carboxamide;2-(4-ethylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;3-fluoro-N-(4-fluorophenyl)-6-(trifluoromethyl)pyrazine-2-carboxamide;2-fluoro-N-(4-fluorophenyl)-5-(trifluoromethyl)pyridine-3-carboxamide?

The IUPAC name of 5-[4-(aminomethyl)phenyl]-2H-pyrazolo[3,4-b]pyridin-3-amine;3-[[4-(3-amino-2H-pyrazolo[3,4-b]pyridin-5-yl)phenyl]methylamino]-6-cyano-N-[(1S)-1-(3,4-difluorophenyl)ethyl]pyrazine-2-carboxamide;2-[[4-(3-amino-2H-pyrazolo[3,4-b]pyridin-5-yl)phenyl]methylamino]-5-cyano-N-(4-fluorophenyl)pyridine-3-carboxamide;5-[[4-(3-amino-2H-pyrazolo[3,4-b]pyridin-5-yl)phenyl]methylamino]-3-[(3,4-difluorophenyl)methyl]pyrido[4,3-d]pyrimidin-4-one;3-[[4-(3-amino-2H-pyrazolo[3,4-b]pyridin-5-yl)phenyl]methylamino]-N-(4-fluorophenyl)-6-(trifluoromethyl)pyrazine-2-carboxamide;5-bromo-2H-pyrazolo[3,4-b]pyridin-3-amine;tert-butyl N-[[4-(3-amino-2H-pyrazolo[3,4-b]pyridin-5-yl)phenyl]methyl]carbamate;5-chloro-3-[(3,4-difluorophenyl)methyl]pyrido[4,3-d]pyrimidin-4-one;6-cyano-N-[(1S)-1-(3,4-difluorophenyl)ethyl]-3-fluoropyrazine-2-carboxamide;2-(4-ethylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;3-fluoro-N-(4-fluorophenyl)-6-(trifluoromethyl)pyrazine-2-carboxamide;2-fluoro-N-(4-fluorophenyl)-5-(trifluoromethyl)pyridine-3-carboxamide (CID 158326980) is 5-[4-(aminomethyl)phenyl]-2H-pyrazolo[3,4-b]pyridin-3-amine;3-[[4-(3-amino-2H-pyrazolo[3,4-b]pyridin-5-yl)phenyl]methylamino]-6-cyano-N-[(1S)-1-(3,4-difluorophenyl)ethyl]pyrazine-2-carboxamide;2-[[4-(3-amino-2H-pyrazolo[3,4-b]pyridin-5-yl)phenyl]methylamino]-5-cyano-N-(4-fluorophenyl)pyridine-3-carboxamide;5-[[4-(3-amino-2H-pyrazolo[3,4-b]pyridin-5-yl)phenyl]methylamino]-3-[(3,4-difluorophenyl)methyl]pyrido[4,3-d]pyrimidin-4-one;3-[[4-(3-amino-2H-pyrazolo[3,4-b]pyridin-5-yl)phenyl]methylamino]-N-(4-fluorophenyl)-6-(trifluoromethyl)pyrazine-2-carboxamide;5-bromo-2H-pyrazolo[3,4-b]pyridin-3-amine;tert-butyl N-[[4-(3-amino-2H-pyrazolo[3,4-b]pyridin-5-yl)phenyl]methyl]carbamate;5-chloro-3-[(3,4-difluorophenyl)methyl]pyrido[4,3-d]pyrimidin-4-one;6-cyano-N-[(1S)-1-(3,4-difluorophenyl)ethyl]-3-fluoropyrazine-2-carboxamide;2-(4-ethylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;3-fluoro-N-(4-fluorophenyl)-6-(trifluoromethyl)pyrazine-2-carboxamide;2-fluoro-N-(4-fluorophenyl)-5-(trifluoromethyl)pyridine-3-carboxamide.

What is the SMILES notation for 5-[4-(aminomethyl)phenyl]-2H-pyrazolo[3,4-b]pyridin-3-amine;3-[[4-(3-amino-2H-pyrazolo[3,4-b]pyridin-5-yl)phenyl]methylamino]-6-cyano-N-[(1S)-1-(3,4-difluorophenyl)ethyl]pyrazine-2-carboxamide;2-[[4-(3-amino-2H-pyrazolo[3,4-b]pyridin-5-yl)phenyl]methylamino]-5-cyano-N-(4-fluorophenyl)pyridine-3-carboxamide;5-[[4-(3-amino-2H-pyrazolo[3,4-b]pyridin-5-yl)phenyl]methylamino]-3-[(3,4-difluorophenyl)methyl]pyrido[4,3-d]pyrimidin-4-one;3-[[4-(3-amino-2H-pyrazolo[3,4-b]pyridin-5-yl)phenyl]methylamino]-N-(4-fluorophenyl)-6-(trifluoromethyl)pyrazine-2-carboxamide;5-bromo-2H-pyrazolo[3,4-b]pyridin-3-amine;tert-butyl N-[[4-(3-amino-2H-pyrazolo[3,4-b]pyridin-5-yl)phenyl]methyl]carbamate;5-chloro-3-[(3,4-difluorophenyl)methyl]pyrido[4,3-d]pyrimidin-4-one;6-cyano-N-[(1S)-1-(3,4-difluorophenyl)ethyl]-3-fluoropyrazine-2-carboxamide;2-(4-ethylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;3-fluoro-N-(4-fluorophenyl)-6-(trifluoromethyl)pyrazine-2-carboxamide;2-fluoro-N-(4-fluorophenyl)-5-(trifluoromethyl)pyridine-3-carboxamide?

The canonical SMILES for 5-[4-(aminomethyl)phenyl]-2H-pyrazolo[3,4-b]pyridin-3-amine;3-[[4-(3-amino-2H-pyrazolo[3,4-b]pyridin-5-yl)phenyl]methylamino]-6-cyano-N-[(1S)-1-(3,4-difluorophenyl)ethyl]pyrazine-2-carboxamide;2-[[4-(3-amino-2H-pyrazolo[3,4-b]pyridin-5-yl)phenyl]methylamino]-5-cyano-N-(4-fluorophenyl)pyridine-3-carboxamide;5-[[4-(3-amino-2H-pyrazolo[3,4-b]pyridin-5-yl)phenyl]methylamino]-3-[(3,4-difluorophenyl)methyl]pyrido[4,3-d]pyrimidin-4-one;3-[[4-(3-amino-2H-pyrazolo[3,4-b]pyridin-5-yl)phenyl]methylamino]-N-(4-fluorophenyl)-6-(trifluoromethyl)pyrazine-2-carboxamide;5-bromo-2H-pyrazolo[3,4-b]pyridin-3-amine;tert-butyl N-[[4-(3-amino-2H-pyrazolo[3,4-b]pyridin-5-yl)phenyl]methyl]carbamate;5-chloro-3-[(3,4-difluorophenyl)methyl]pyrido[4,3-d]pyrimidin-4-one;6-cyano-N-[(1S)-1-(3,4-difluorophenyl)ethyl]-3-fluoropyrazine-2-carboxamide;2-(4-ethylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;3-fluoro-N-(4-fluorophenyl)-6-(trifluoromethyl)pyrazine-2-carboxamide;2-fluoro-N-(4-fluorophenyl)-5-(trifluoromethyl)pyridine-3-carboxamide is CC(C)(C)OC(=O)NCc1ccc(-c2cnc3n[nH]c(N)c3c2)cc1.CCc1ccc(B2OC(C)(C)C(C)(C)O2)cc1.C[C@H](NC(=O)c1nc(C#N)cnc1F)c1ccc(F)c(F)c1.C[C@H](NC(=O)c1nc(C#N)cnc1NCc1ccc(-c2cnc3n[nH]c(N)c3c2)cc1)c1ccc(F)c(F)c1.N#Cc1cnc(NCc2ccc(-c3cnc4n[nH]c(N)c4c3)cc2)c(C(=O)Nc2ccc(F)cc2)c1.NCc1ccc(-c2cnc3n[nH]c(N)c3c2)cc1.Nc1[nH]nc2ncc(-c3ccc(CNc4ncc(C(F)(F)F)nc4C(=O)Nc4ccc(F)cc4)cc3)cc12.Nc1[nH]nc2ncc(-c3ccc(CNc4nccc5ncn(Cc6ccc(F)c(F)c6)c(=O)c45)cc3)cc12.Nc1[nH]nc2ncc(Br)cc12.O=C(Nc1ccc(F)cc1)c1cc(C(F)(F)F)cnc1F.O=C(Nc1ccc(F)cc1)c1nc(C(F)(F)F)cnc1F.O=c1c2c(Cl)nccc2ncn1Cc1ccc(F)c(F)c1.

What is the InChIKey of 5-[4-(aminomethyl)phenyl]-2H-pyrazolo[3,4-b]pyridin-3-amine;3-[[4-(3-amino-2H-pyrazolo[3,4-b]pyridin-5-yl)phenyl]methylamino]-6-cyano-N-[(1S)-1-(3,4-difluorophenyl)ethyl]pyrazine-2-carboxamide;2-[[4-(3-amino-2H-pyrazolo[3,4-b]pyridin-5-yl)phenyl]methylamino]-5-cyano-N-(4-fluorophenyl)pyridine-3-carboxamide;5-[[4-(3-amino-2H-pyrazolo[3,4-b]pyridin-5-yl)phenyl]methylamino]-3-[(3,4-difluorophenyl)methyl]pyrido[4,3-d]pyrimidin-4-one;3-[[4-(3-amino-2H-pyrazolo[3,4-b]pyridin-5-yl)phenyl]methylamino]-N-(4-fluorophenyl)-6-(trifluoromethyl)pyrazine-2-carboxamide;5-bromo-2H-pyrazolo[3,4-b]pyridin-3-amine;tert-butyl N-[[4-(3-amino-2H-pyrazolo[3,4-b]pyridin-5-yl)phenyl]methyl]carbamate;5-chloro-3-[(3,4-difluorophenyl)methyl]pyrido[4,3-d]pyrimidin-4-one;6-cyano-N-[(1S)-1-(3,4-difluorophenyl)ethyl]-3-fluoropyrazine-2-carboxamide;2-(4-ethylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;3-fluoro-N-(4-fluorophenyl)-6-(trifluoromethyl)pyrazine-2-carboxamide;2-fluoro-N-(4-fluorophenyl)-5-(trifluoromethyl)pyridine-3-carboxamide?

The InChIKey is GPNMEXZVCBZDOS-IZIMNUMYSA-N. The full InChI is InChI=1S/C27H21F2N9O.C27H20F2N8O.C26H19FN8O.C25H18F4N8O.C18H21N5O2.C14H21BO2.C14H8ClF2N3O.C14H9F3N4O.C13H7F5N2O.C13H13N5.C12H6F5N3O.C6H5BrN4/c1-14(17-6-7-21(28)22(29)9-17)35-27(39)23-26(34-13-19(10-30)36-23)32-11-15-2-4-16(5-3-15)18-8-20-24(31)37-38-25(20)33-12-18;28-20-6-3-16(9-21(20)29)13-37-14-34-22-7-8-31-26(23(22)27(37)38)32-11-15-1-4-17(5-2-15)18-10-19-24(30)35-36-25(19)33-12-18;27-19-5-7-20(8-6-19)33-26(36)22-9-16(11-28)13-31-24(22)30-12-15-1-3-17(4-2-15)18-10-21-23(29)34-35-25(21)32-14-18;26-16-5-7-17(8-6-16)34-24(38)20-23(33-12-19(35-20)25(27,28)29)31-10-13-1-3-14(4-2-13)15-9-18-21(30)36-37-22(18)32-11-15;1-18(2,3)25-17(24)21-9-11-4-6-12(7-5-11)13-8-14-15(19)22-23-16(14)20-10-13;1-6-11-7-9-12(10-8-11)15-16-13(2,3)14(4,5)17-15;15-13-12-11(3-4-18-13)19-7-20(14(12)21)6-8-1-2-9(16)10(17)5-8;1-7(8-2-3-10(15)11(16)4-8)20-14(22)12-13(17)19-6-9(5-18)21-12;14-8-1-3-9(4-2-8)20-12(21)10-5-7(13(16,17)18)6-19-11(10)15;14-6-8-1-3-9(4-2-8)10-5-11-12(15)17-18-13(11)16-7-10;13-6-1-3-7(4-2-6)19-11(21)9-10(14)18-5-8(20-9)12(15,16)17;7-3-1-4-5(8)10-11-6(4)9-2-3/h2-9,12-14H,11H2,1H3,(H,32,34)(H,35,39)(H3,31,33,37,38);1-10,12,14H,11,13H2,(H,31,32)(H3,30,33,35,36);1-10,13-14H,12H2,(H,30,31)(H,33,36)(H3,29,32,34,35);1-9,11-12H,10H2,(H,31,33)(H,34,38)(H3,30,32,36,37);4-8,10H,9H2,1-3H3,(H,21,24)(H3,19,20,22,23);7-10H,6H2,1-5H3;1-5,7H,6H2;2-4,6-7H,1H3,(H,20,22);1-6H,(H,20,21);1-5,7H,6,14H2,(H3,15,16,17,18);1-5H,(H,19,21);1-2H,(H3,8,9,10,11)/t14-;;;;;;;7-;;;;/m0......0..../s1.

What are the key properties of 5-[4-(aminomethyl)phenyl]-2H-pyrazolo[3,4-b]pyridin-3-amine;3-[[4-(3-amino-2H-pyrazolo[3,4-b]pyridin-5-yl)phenyl]methylamino]-6-cyano-N-[(1S)-1-(3,4-difluorophenyl)ethyl]pyrazine-2-carboxamide;2-[[4-(3-amino-2H-pyrazolo[3,4-b]pyridin-5-yl)phenyl]methylamino]-5-cyano-N-(4-fluorophenyl)pyridine-3-carboxamide;5-[[4-(3-amino-2H-pyrazolo[3,4-b]pyridin-5-yl)phenyl]methylamino]-3-[(3,4-difluorophenyl)methyl]pyrido[4,3-d]pyrimidin-4-one;3-[[4-(3-amino-2H-pyrazolo[3,4-b]pyridin-5-yl)phenyl]methylamino]-N-(4-fluorophenyl)-6-(trifluoromethyl)pyrazine-2-carboxamide;5-bromo-2H-pyrazolo[3,4-b]pyridin-3-amine;tert-butyl N-[[4-(3-amino-2H-pyrazolo[3,4-b]pyridin-5-yl)phenyl]methyl]carbamate;5-chloro-3-[(3,4-difluorophenyl)methyl]pyrido[4,3-d]pyrimidin-4-one;6-cyano-N-[(1S)-1-(3,4-difluorophenyl)ethyl]-3-fluoropyrazine-2-carboxamide;2-(4-ethylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;3-fluoro-N-(4-fluorophenyl)-6-(trifluoromethyl)pyrazine-2-carboxamide;2-fluoro-N-(4-fluorophenyl)-5-(trifluoromethyl)pyridine-3-carboxamide?

5-[4-(aminomethyl)phenyl]-2H-pyrazolo[3,4-b]pyridin-3-amine;3-[[4-(3-amino-2H-pyrazolo[3,4-b]pyridin-5-yl)phenyl]methylamino]-6-cyano-N-[(1S)-1-(3,4-difluorophenyl)ethyl]pyrazine-2-carboxamide;2-[[4-(3-amino-2H-pyrazolo[3,4-b]pyridin-5-yl)phenyl]methylamino]-5-cyano-N-(4-fluorophenyl)pyridine-3-carboxamide;5-[[4-(3-amino-2H-pyrazolo[3,4-b]pyridin-5-yl)phenyl]methylamino]-3-[(3,4-difluorophenyl)methyl]pyrido[4,3-d]pyrimidin-4-one;3-[[4-(3-amino-2H-pyrazolo[3,4-b]pyridin-5-yl)phenyl]methylamino]-N-(4-fluorophenyl)-6-(trifluoromethyl)pyrazine-2-carboxamide;5-bromo-2H-pyrazolo[3,4-b]pyridin-3-amine;tert-butyl N-[[4-(3-amino-2H-pyrazolo[3,4-b]pyridin-5-yl)phenyl]methyl]carbamate;5-chloro-3-[(3,4-difluorophenyl)methyl]pyrido[4,3-d]pyrimidin-4-one;6-cyano-N-[(1S)-1-(3,4-difluorophenyl)ethyl]-3-fluoropyrazine-2-carboxamide;2-(4-ethylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;3-fluoro-N-(4-fluorophenyl)-6-(trifluoromethyl)pyrazine-2-carboxamide;2-fluoro-N-(4-fluorophenyl)-5-(trifluoromethyl)pyridine-3-carboxamide has a molecular weight of 4280.16 g/mol, XLogP of 38.43, 41 rotatable bonds, 26 hydrogen bond donors, and 57 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[4-(aminomethyl)phenyl]-2H-pyrazolo[3,4-b]pyridin-3-amine;3-[[4-(3-amino-2H-pyrazolo[3,4-b]pyridin-5-yl)phenyl]methylamino]-6-cyano-N-[(1S)-1-(3,4-difluorophenyl)ethyl]pyrazine-2-carboxamide;2-[[4-(3-amino-2H-pyrazolo[3,4-b]pyridin-5-yl)phenyl]methylamino]-5-cyano-N-(4-fluorophenyl)pyridine-3-carboxamide;5-[[4-(3-amino-2H-pyrazolo[3,4-b]pyridin-5-yl)phenyl]methylamino]-3-[(3,4-difluorophenyl)methyl]pyrido[4,3-d]pyrimidin-4-one;3-[[4-(3-amino-2H-pyrazolo[3,4-b]pyridin-5-yl)phenyl]methylamino]-N-(4-fluorophenyl)-6-(trifluoromethyl)pyrazine-2-carboxamide;5-bromo-2H-pyrazolo[3,4-b]pyridin-3-amine;tert-butyl N-[[4-(3-amino-2H-pyrazolo[3,4-b]pyridin-5-yl)phenyl]methyl]carbamate;5-chloro-3-[(3,4-difluorophenyl)methyl]pyrido[4,3-d]pyrimidin-4-one;6-cyano-N-[(1S)-1-(3,4-difluorophenyl)ethyl]-3-fluoropyrazine-2-carboxamide;2-(4-ethylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;3-fluoro-N-(4-fluorophenyl)-6-(trifluoromethyl)pyrazine-2-carboxamide;2-fluoro-N-(4-fluorophenyl)-5-(trifluoromethyl)pyridine-3-carboxamide is sourced from PubChem (CID 158326980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).