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]-N-[(1S)-1-(3,4-difluorophenyl)ethyl]-6-(trifluoromethyl)pyrazine-2-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;bis(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]-3H-pyrido[4,3-c]pyridazin-4-one;2-chloro-N-(4-fluorophenyl)-5-(trifluoromethyl)pyridine-3-carboxamide;N-[(1S)-1-(3,4-difluorophenyl)ethyl]-3-fluoro-6-(trifluoromethyl)pyrazine-2-carboxamide;2-(4-ethylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;3-fluoro-N-(4-fluorophenyl)-6-(trifluoromethyl)pyrazine-2-carboxamide

C208H167BBrCl2F32N57O12 — CID 158590608

IUPAC5-[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]-N-[(1S)-1-(3,4-difluorophenyl)ethyl]-6-(trifluoromethyl)pyrazine-2-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;bis(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]-3H-pyrido[4,3-c]pyridazin-4-one;2-chloro-N-(4-fluorophenyl)-5-(trifluoromethyl)pyridine-3-carboxamide;N-[(1S)-1-(3,4-difluorophenyl)ethyl]-3-fluoro-6-(trifluoromethyl)pyrazine-2-carboxamide;2-(4-ethylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;3-fluoro-N-(4-fluorophenyl)-6-(trifluoromethyl)pyrazine-2-carboxamide
SMILESCC(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(F)(F)F)cnc1F)c1ccc(F)c(F)c1.C[C@H](NC(=O)c1nc(C(F)(F)F)cnc1NCc1ccc(-c2cnc3n[nH]c(N)c3c2)cc1)c1ccc(F)c(F)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(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)cnc1Cl.O=C(Nc1ccc(F)cc1)c1nc(C(F)(F)F)cnc1F.O=C1c2c(ccnc2Cl)N=NC1Cc1ccc(F)c(F)c1
InChIInChI=1S/C27H21F5N8O.C27H20F2N8O.2C25H18F4N8O.C18H21N5O2.C14H21BO2.C14H8ClF2N3O.C14H9F6N3O.C13H7ClF4N2O.C13H13N5.C12H6F5N3O.C6H5BrN4/c1-13(16-6-7-19(28)20(29)9-16)37-26(41)22-25(36-12-21(38-22)27(30,31)32)34-10-14-2-4-15(5-3-14)17-8-18-23(33)39-40-24(18)35-11-17;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;2*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;15-14-12-10(3-4-18-14)19-20-11(13(12)21)6-7-1-2-8(16)9(17)5-7;1-6(7-2-3-8(15)9(16)4-7)22-13(24)11-12(17)21-5-10(23-11)14(18,19)20;14-11-10(5-7(6-19-11)13(16,17)18)12(21)20-9-3-1-8(15)2-4-9;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/h2-9,11-13H,10H2,1H3,(H,34,36)(H,37,41)(H3,33,35,39,40);1-10,12,14H,11,13H2,(H,31,32)(H3,30,33,35,36);2*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;1-5,11H,6H2;2-6H,1H3,(H,22,24);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)/t13-;;;;;;;6-;;;;/m0......0..../s1
InChIKeyHUJZUISESXLAEG-KIEBHIJUSA-N
MW4426.57 g/mol
LogP42.91
Rot. Bonds41

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]-N-[(1S)-1-(3,4-difluorophenyl)ethyl]-6-(trifluoromethyl)pyrazine-2-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;bis(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]-3H-pyrido[4,3-c]pyridazin-4-one;2-chloro-N-(4-fluorophenyl)-5-(trifluoromethyl)pyridine-3-carboxamide;N-[(1S)-1-(3,4-difluorophenyl)ethyl]-3-fluoro-6-(trifluoromethyl)pyrazine-2-carboxamide;2-(4-ethylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;3-fluoro-N-(4-fluorophenyl)-6-(trifluoromethyl)pyrazine-2-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]-N-[(1S)-1-(3,4-difluorophenyl)ethyl]-6-(trifluoromethyl)pyrazine-2-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;bis(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]-3H-pyrido[4,3-c]pyridazin-4-one;2-chloro-N-(4-fluorophenyl)-5-(trifluoromethyl)pyridine-3-carboxamide;N-[(1S)-1-(3,4-difluorophenyl)ethyl]-3-fluoro-6-(trifluoromethyl)pyrazine-2-carboxamide;2-(4-ethylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;3-fluoro-N-(4-fluorophenyl)-6-(trifluoromethyl)pyrazine-2-carboxamide (PubChem CID 158590608) has the molecular formula C208H167BBrCl2F32N57O12 and a molecular weight of 4426.57 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]-N-[(1S)-1-(3,4-difluorophenyl)ethyl]-6-(trifluoromethyl)pyrazine-2-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;bis(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]-3H-pyrido[4,3-c]pyridazin-4-one;2-chloro-N-(4-fluorophenyl)-5-(trifluoromethyl)pyridine-3-carboxamide;N-[(1S)-1-(3,4-difluorophenyl)ethyl]-3-fluoro-6-(trifluoromethyl)pyrazine-2-carboxamide;2-(4-ethylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;3-fluoro-N-(4-fluorophenyl)-6-(trifluoromethyl)pyrazine-2-carboxamide.

Molecular Properties

Compound Name5-[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]-N-[(1S)-1-(3,4-difluorophenyl)ethyl]-6-(trifluoromethyl)pyrazine-2-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;bis(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]-3H-pyrido[4,3-c]pyridazin-4-one;2-chloro-N-(4-fluorophenyl)-5-(trifluoromethyl)pyridine-3-carboxamide;N-[(1S)-1-(3,4-difluorophenyl)ethyl]-3-fluoro-6-(trifluoromethyl)pyrazine-2-carboxamide;2-(4-ethylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;3-fluoro-N-(4-fluorophenyl)-6-(trifluoromethyl)pyrazine-2-carboxamide
PubChem CID158590608
Molecular FormulaC208H167BBrCl2F32N57O12
Molecular Weight4426.57 g/mol
Exact Mass4422.24
IUPAC Name5-[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]-N-[(1S)-1-(3,4-difluorophenyl)ethyl]-6-(trifluoromethyl)pyrazine-2-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;bis(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]-3H-pyrido[4,3-c]pyridazin-4-one;2-chloro-N-(4-fluorophenyl)-5-(trifluoromethyl)pyridine-3-carboxamide;N-[(1S)-1-(3,4-difluorophenyl)ethyl]-3-fluoro-6-(trifluoromethyl)pyrazine-2-carboxamide;2-(4-ethylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;3-fluoro-N-(4-fluorophenyl)-6-(trifluoromethyl)pyrazine-2-carboxamide
SMILESCC(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(F)(F)F)cnc1F)c1ccc(F)c(F)c1.C[C@H](NC(=O)c1nc(C(F)(F)F)cnc1NCc1ccc(-c2cnc3n[nH]c(N)c3c2)cc1)c1ccc(F)c(F)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(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)cnc1Cl.O=C(Nc1ccc(F)cc1)c1nc(C(F)(F)F)cnc1F.O=C1c2c(ccnc2Cl)N=NC1Cc1ccc(F)c(F)c1
InChIInChI=1S/C27H21F5N8O.C27H20F2N8O.2C25H18F4N8O.C18H21N5O2.C14H21BO2.C14H8ClF2N3O.C14H9F6N3O.C13H7ClF4N2O.C13H13N5.C12H6F5N3O.C6H5BrN4/c1-13(16-6-7-19(28)20(29)9-16)37-26(41)22-25(36-12-21(38-22)27(30,31)32)34-10-14-2-4-15(5-3-14)17-8-18-23(33)39-40-24(18)35-11-17;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;2*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;15-14-12-10(3-4-18-14)19-20-11(13(12)21)6-7-1-2-8(16)9(17)5-7;1-6(7-2-3-8(15)9(16)4-7)22-13(24)11-12(17)21-5-10(23-11)14(18,19)20;14-11-10(5-7(6-19-11)13(16,17)18)12(21)20-9-3-1-8(15)2-4-9;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/h2-9,11-13H,10H2,1H3,(H,34,36)(H,37,41)(H3,33,35,39,40);1-10,12,14H,11,13H2,(H,31,32)(H3,30,33,35,36);2*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;1-5,11H,6H2;2-6H,1H3,(H,22,24);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)/t13-;;;;;;;6-;;;;/m0......0..../s1
InChIKeyHUJZUISESXLAEG-KIEBHIJUSA-N
XLogP42.91
TPSA1022.91 Ų
H-Bond Donors26
H-Bond Acceptors55
Rotatable Bonds41
Heavy Atoms313
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004426.57
LogP ≤ 542.91
H-Bond Donors ≤ 526
H-Bond Acceptors ≤ 1055

Analyze 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]-N-[(1S)-1-(3,4-difluorophenyl)ethyl]-6-(trifluoromethyl)pyrazine-2-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;bis(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]-3H-pyrido[4,3-c]pyridazin-4-one;2-chloro-N-(4-fluorophenyl)-5-(trifluoromethyl)pyridine-3-carboxamide;N-[(1S)-1-(3,4-difluorophenyl)ethyl]-3-fluoro-6-(trifluoromethyl)pyrazine-2-carboxamide;2-(4-ethylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;3-fluoro-N-(4-fluorophenyl)-6-(trifluoromethyl)pyrazine-2-carboxamide with MolForge

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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]-N-[(1S)-1-(3,4-difluorophenyl)ethyl]-6-(trifluoromethyl)pyrazine-2-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;bis(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]-3H-pyrido[4,3-c]pyridazin-4-one;2-chloro-N-(4-fluorophenyl)-5-(trifluoromethyl)pyridine-3-carboxamide;N-[(1S)-1-(3,4-difluorophenyl)ethyl]-3-fluoro-6-(trifluoromethyl)pyrazine-2-carboxamide;2-(4-ethylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;3-fluoro-N-(4-fluorophenyl)-6-(trifluoromethyl)pyrazine-2-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]-N-[(1S)-1-(3,4-difluorophenyl)ethyl]-6-(trifluoromethyl)pyrazine-2-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;bis(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]-3H-pyrido[4,3-c]pyridazin-4-one;2-chloro-N-(4-fluorophenyl)-5-(trifluoromethyl)pyridine-3-carboxamide;N-[(1S)-1-(3,4-difluorophenyl)ethyl]-3-fluoro-6-(trifluoromethyl)pyrazine-2-carboxamide;2-(4-ethylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;3-fluoro-N-(4-fluorophenyl)-6-(trifluoromethyl)pyrazine-2-carboxamide (CID 158590608) 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]-N-[(1S)-1-(3,4-difluorophenyl)ethyl]-6-(trifluoromethyl)pyrazine-2-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;bis(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]-3H-pyrido[4,3-c]pyridazin-4-one;2-chloro-N-(4-fluorophenyl)-5-(trifluoromethyl)pyridine-3-carboxamide;N-[(1S)-1-(3,4-difluorophenyl)ethyl]-3-fluoro-6-(trifluoromethyl)pyrazine-2-carboxamide;2-(4-ethylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;3-fluoro-N-(4-fluorophenyl)-6-(trifluoromethyl)pyrazine-2-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]-N-[(1S)-1-(3,4-difluorophenyl)ethyl]-6-(trifluoromethyl)pyrazine-2-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;bis(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]-3H-pyrido[4,3-c]pyridazin-4-one;2-chloro-N-(4-fluorophenyl)-5-(trifluoromethyl)pyridine-3-carboxamide;N-[(1S)-1-(3,4-difluorophenyl)ethyl]-3-fluoro-6-(trifluoromethyl)pyrazine-2-carboxamide;2-(4-ethylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;3-fluoro-N-(4-fluorophenyl)-6-(trifluoromethyl)pyrazine-2-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]-N-[(1S)-1-(3,4-difluorophenyl)ethyl]-6-(trifluoromethyl)pyrazine-2-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;bis(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]-3H-pyrido[4,3-c]pyridazin-4-one;2-chloro-N-(4-fluorophenyl)-5-(trifluoromethyl)pyridine-3-carboxamide;N-[(1S)-1-(3,4-difluorophenyl)ethyl]-3-fluoro-6-(trifluoromethyl)pyrazine-2-carboxamide;2-(4-ethylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;3-fluoro-N-(4-fluorophenyl)-6-(trifluoromethyl)pyrazine-2-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(F)(F)F)cnc1F)c1ccc(F)c(F)c1.C[C@H](NC(=O)c1nc(C(F)(F)F)cnc1NCc1ccc(-c2cnc3n[nH]c(N)c3c2)cc1)c1ccc(F)c(F)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(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)cnc1Cl.O=C(Nc1ccc(F)cc1)c1nc(C(F)(F)F)cnc1F.O=C1c2c(ccnc2Cl)N=NC1Cc1ccc(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]-N-[(1S)-1-(3,4-difluorophenyl)ethyl]-6-(trifluoromethyl)pyrazine-2-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;bis(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]-3H-pyrido[4,3-c]pyridazin-4-one;2-chloro-N-(4-fluorophenyl)-5-(trifluoromethyl)pyridine-3-carboxamide;N-[(1S)-1-(3,4-difluorophenyl)ethyl]-3-fluoro-6-(trifluoromethyl)pyrazine-2-carboxamide;2-(4-ethylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;3-fluoro-N-(4-fluorophenyl)-6-(trifluoromethyl)pyrazine-2-carboxamide?
The InChIKey is HUJZUISESXLAEG-KIEBHIJUSA-N. The full InChI is InChI=1S/C27H21F5N8O.C27H20F2N8O.2C25H18F4N8O.C18H21N5O2.C14H21BO2.C14H8ClF2N3O.C14H9F6N3O.C13H7ClF4N2O.C13H13N5.C12H6F5N3O.C6H5BrN4/c1-13(16-6-7-19(28)20(29)9-16)37-26(41)22-25(36-12-21(38-22)27(30,31)32)34-10-14-2-4-15(5-3-14)17-8-18-23(33)39-40-24(18)35-11-17;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;2*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;15-14-12-10(3-4-18-14)19-20-11(13(12)21)6-7-1-2-8(16)9(17)5-7;1-6(7-2-3-8(15)9(16)4-7)22-13(24)11-12(17)21-5-10(23-11)14(18,19)20;14-11-10(5-7(6-19-11)13(16,17)18)12(21)20-9-3-1-8(15)2-4-9;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/h2-9,11-13H,10H2,1H3,(H,34,36)(H,37,41)(H3,33,35,39,40);1-10,12,14H,11,13H2,(H,31,32)(H3,30,33,35,36);2*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;1-5,11H,6H2;2-6H,1H3,(H,22,24);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)/t13-;;;;;;;6-;;;;/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]-N-[(1S)-1-(3,4-difluorophenyl)ethyl]-6-(trifluoromethyl)pyrazine-2-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;bis(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]-3H-pyrido[4,3-c]pyridazin-4-one;2-chloro-N-(4-fluorophenyl)-5-(trifluoromethyl)pyridine-3-carboxamide;N-[(1S)-1-(3,4-difluorophenyl)ethyl]-3-fluoro-6-(trifluoromethyl)pyrazine-2-carboxamide;2-(4-ethylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;3-fluoro-N-(4-fluorophenyl)-6-(trifluoromethyl)pyrazine-2-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]-N-[(1S)-1-(3,4-difluorophenyl)ethyl]-6-(trifluoromethyl)pyrazine-2-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;bis(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]-3H-pyrido[4,3-c]pyridazin-4-one;2-chloro-N-(4-fluorophenyl)-5-(trifluoromethyl)pyridine-3-carboxamide;N-[(1S)-1-(3,4-difluorophenyl)ethyl]-3-fluoro-6-(trifluoromethyl)pyrazine-2-carboxamide;2-(4-ethylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;3-fluoro-N-(4-fluorophenyl)-6-(trifluoromethyl)pyrazine-2-carboxamide has a molecular weight of 4426.57 g/mol, XLogP of 42.91, 41 rotatable bonds, 26 hydrogen bond donors, and 55 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]-N-[(1S)-1-(3,4-difluorophenyl)ethyl]-6-(trifluoromethyl)pyrazine-2-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;bis(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]-3H-pyrido[4,3-c]pyridazin-4-one;2-chloro-N-(4-fluorophenyl)-5-(trifluoromethyl)pyridine-3-carboxamide;N-[(1S)-1-(3,4-difluorophenyl)ethyl]-3-fluoro-6-(trifluoromethyl)pyrazine-2-carboxamide;2-(4-ethylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;3-fluoro-N-(4-fluorophenyl)-6-(trifluoromethyl)pyrazine-2-carboxamide is sourced from PubChem (CID 158590608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).