1-(4-bromopyrazol-1-yl)-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)isoquinolin-6-amine;3-[[5-(difluoromethyl)naphthalen-2-yl]methyl]-2H-indazole;3-[[5-(difluoromethyl)naphthalen-2-yl]methyl]-2H-pyrazolo[3,4-b]pyrazine;1-(2,4-dimethylimidazol-1-yl)-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)isoquinolin-6-amine;3-[(5-prop-1-en-2-ylnaphthalen-2-yl)methyl]-2H-pyrazolo[4,3-b]pyridine;N-(5H-pyrrolo[3,4-b]pyridin-7-yl)imidazo[2,1-a]isoquinolin-8-amine;N-(5H-pyrrolo[3,4-b]pyridin-7-yl)-1-(4,4,6,6-tetramethylfuro[3,4-c]pyrazol-2-yl)isoquinolin-6-amine

C139H111BrF4N32O — CID 159319792

About 1-(4-bromopyrazol-1-yl)-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)isoquinolin-6-amine;3-[[5-(difluoromethyl)naphthalen-2-yl]methyl]-2H-indazole;3-[[5-(difluoromethyl)naphthalen-2-yl]methyl]-2H-pyrazolo[3,4-b]pyrazine;1-(2,4-dimethylimidazol-1-yl)-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)isoquinolin-6-amine;3-[(5-prop-1-en-2-ylnaphthalen-2-yl)methyl]-2H-pyrazolo[4,3-b]pyridine;N-(5H-pyrrolo[3,4-b]pyridin-7-yl)imidazo[2,1-a]isoquinolin-8-amine;N-(5H-pyrrolo[3,4-b]pyridin-7-yl)-1-(4,4,6,6-tetramethylfuro[3,4-c]pyrazol-2-yl)isoquinolin-6-amine

1-(4-bromopyrazol-1-yl)-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)isoquinolin-6-amine;3-[[5-(difluoromethyl)naphthalen-2-yl]methyl]-2H-indazole;3-[[5-(difluoromethyl)naphthalen-2-yl]methyl]-2H-pyrazolo[3,4-b]pyrazine;1-(2,4-dimethylimidazol-1-yl)-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)isoquinolin-6-amine;3-[(5-prop-1-en-2-ylnaphthalen-2-yl)methyl]-2H-pyrazolo[4,3-b]pyridine;N-(5H-pyrrolo[3,4-b]pyridin-7-yl)imidazo[2,1-a]isoquinolin-8-amine;N-(5H-pyrrolo[3,4-b]pyridin-7-yl)-1-(4,4,6,6-tetramethylfuro[3,4-c]pyrazol-2-yl)isoquinolin-6-amine (PubChem CID 159319792) has the molecular formula C139H111BrF4N32O and a molecular weight of 2401.54 g/mol. Its IUPAC name is 1-(4-bromopyrazol-1-yl)-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)isoquinolin-6-amine;3-[[5-(difluoromethyl)naphthalen-2-yl]methyl]-2H-indazole;3-[[5-(difluoromethyl)naphthalen-2-yl]methyl]-2H-pyrazolo[3,4-b]pyrazine;1-(2,4-dimethylimidazol-1-yl)-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)isoquinolin-6-amine;3-[(5-prop-1-en-2-ylnaphthalen-2-yl)methyl]-2H-pyrazolo[4,3-b]pyridine;N-(5H-pyrrolo[3,4-b]pyridin-7-yl)imidazo[2,1-a]isoquinolin-8-amine;N-(5H-pyrrolo[3,4-b]pyridin-7-yl)-1-(4,4,6,6-tetramethylfuro[3,4-c]pyrazol-2-yl)isoquinolin-6-amine.

Molecular Properties

• Compound Name: 1-(4-bromopyrazol-1-yl)-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)isoquinolin-6-amine;3-[[5-(difluoromethyl)naphthalen-2-yl]methyl]-2H-indazole;3-[[5-(difluoromethyl)naphthalen-2-yl]methyl]-2H-pyrazolo[3,4-b]pyrazine;1-(2,4-dimethylimidazol-1-yl)-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)isoquinolin-6-amine;3-[(5-prop-1-en-2-ylnaphthalen-2-yl)methyl]-2H-pyrazolo[4,3-b]pyridine;N-(5H-pyrrolo[3,4-b]pyridin-7-yl)imidazo[2,1-a]isoquinolin-8-amine;N-(5H-pyrrolo[3,4-b]pyridin-7-yl)-1-(4,4,6,6-tetramethylfuro[3,4-c]pyrazol-2-yl)isoquinolin-6-amine
• PubChem CID: 159319792
• Molecular Formula: C139H111BrF4N32O
• Molecular Weight: 2401.54 g/mol
• Exact Mass: 2398.87
• IUPAC Name: 1-(4-bromopyrazol-1-yl)-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)isoquinolin-6-amine;3-[[5-(difluoromethyl)naphthalen-2-yl]methyl]-2H-indazole;3-[[5-(difluoromethyl)naphthalen-2-yl]methyl]-2H-pyrazolo[3,4-b]pyrazine;1-(2,4-dimethylimidazol-1-yl)-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)isoquinolin-6-amine;3-[(5-prop-1-en-2-ylnaphthalen-2-yl)methyl]-2H-pyrazolo[4,3-b]pyridine;N-(5H-pyrrolo[3,4-b]pyridin-7-yl)imidazo[2,1-a]isoquinolin-8-amine;N-(5H-pyrrolo[3,4-b]pyridin-7-yl)-1-(4,4,6,6-tetramethylfuro[3,4-c]pyrazol-2-yl)isoquinolin-6-amine
• SMILES: Brc1cnn(-c2nccc3cc(NC4=NCc5cccnc54)ccc23)c1.C=C(C)c1cccc2cc(Cc3[nH]nc4cccnc34)ccc12.CC1(C)OC(C)(C)c2nn(-c3nccc4cc(NC5=NCc6cccnc65)ccc34)cc21.Cc1cn(-c2nccc3cc(NC4=NCc5cccnc54)ccc23)c(C)n1.FC(F)c1cccc2cc(Cc3[nH]nc4ccccc34)ccc12.FC(F)c1cccc2cc(Cc3[nH]nc4nccnc34)ccc12.c1cnc2c(c1)CN=C2Nc1ccc2c(ccn3ccnc23)c1
• InChI: InChI=1S/C25H24N6O.C21H18N6.C20H17N3.C19H13BrN6.C19H14F2N2.C18H13N5.C17H12F2N4/c1-24(2)19-14-31(30-21(19)25(3,4)32-24)23-18-8-7-17(12-15(18)9-11-27-23)29-22-20-16(13-28-22)6-5-10-26-20;1-13-12-27(14(2)25-13)21-18-6-5-17(10-15(18)7-9-23-21)26-20-19-16(11-24-20)4-3-8-22-19;1-13(2)16-6-3-5-15-11-14(8-9-17(15)16)12-19-20-18(22-23-19)7-4-10-21-20;20-14-10-24-26(11-14)19-16-4-3-15(8-12(16)5-7-22-19)25-18-17-13(9-23-18)2-1-6-21-17;20-19(21)15-6-3-4-13-10-12(8-9-14(13)15)11-18-16-5-1-2-7-17(16)22-23-18;1-2-13-11-21-17(16(13)19-6-1)22-14-3-4-15-12(10-14)5-8-23-9-7-20-18(15)23;18-16(19)13-3-1-2-11-8-10(4-5-12(11)13)9-14-15-17(23-22-14)21-7-6-20-15/h5-12,14H,13H2,1-4H3,(H,28,29);3-10,12H,11H2,1-2H3,(H,24,26);3-11H,1,12H2,2H3,(H,22,23);1-8,10-11H,9H2,(H,23,25);1-10,19H,11H2,(H,22,23);1-10H,11H2,(H,21,22);1-8,16H,9H2,(H,21,22,23)
• InChIKey: LDPNOHVZCYJAGG-UHFFFAOYSA-N
• XLogP: 29.71
• TPSA: 392.49 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 30
• Rotatable Bonds: 16
• Heavy Atoms: 177
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2401.54
LogP ≤ 5	29.71
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	30

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromopyrazol-1-yl)-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)isoquinolin-6-amine;3-[[5-(difluoromethyl)naphthalen-2-yl]methyl]-2H-indazole;3-[[5-(difluoromethyl)naphthalen-2-yl]methyl]-2H-pyrazolo[3,4-b]pyrazine;1-(2,4-dimethylimidazol-1-yl)-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)isoquinolin-6-amine;3-[(5-prop-1-en-2-ylnaphthalen-2-yl)methyl]-2H-pyrazolo[4,3-b]pyridine;N-(5H-pyrrolo[3,4-b]pyridin-7-yl)imidazo[2,1-a]isoquinolin-8-amine;N-(5H-pyrrolo[3,4-b]pyridin-7-yl)-1-(4,4,6,6-tetramethylfuro[3,4-c]pyrazol-2-yl)isoquinolin-6-amine?

The IUPAC name of 1-(4-bromopyrazol-1-yl)-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)isoquinolin-6-amine;3-[[5-(difluoromethyl)naphthalen-2-yl]methyl]-2H-indazole;3-[[5-(difluoromethyl)naphthalen-2-yl]methyl]-2H-pyrazolo[3,4-b]pyrazine;1-(2,4-dimethylimidazol-1-yl)-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)isoquinolin-6-amine;3-[(5-prop-1-en-2-ylnaphthalen-2-yl)methyl]-2H-pyrazolo[4,3-b]pyridine;N-(5H-pyrrolo[3,4-b]pyridin-7-yl)imidazo[2,1-a]isoquinolin-8-amine;N-(5H-pyrrolo[3,4-b]pyridin-7-yl)-1-(4,4,6,6-tetramethylfuro[3,4-c]pyrazol-2-yl)isoquinolin-6-amine (CID 159319792) is 1-(4-bromopyrazol-1-yl)-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)isoquinolin-6-amine;3-[[5-(difluoromethyl)naphthalen-2-yl]methyl]-2H-indazole;3-[[5-(difluoromethyl)naphthalen-2-yl]methyl]-2H-pyrazolo[3,4-b]pyrazine;1-(2,4-dimethylimidazol-1-yl)-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)isoquinolin-6-amine;3-[(5-prop-1-en-2-ylnaphthalen-2-yl)methyl]-2H-pyrazolo[4,3-b]pyridine;N-(5H-pyrrolo[3,4-b]pyridin-7-yl)imidazo[2,1-a]isoquinolin-8-amine;N-(5H-pyrrolo[3,4-b]pyridin-7-yl)-1-(4,4,6,6-tetramethylfuro[3,4-c]pyrazol-2-yl)isoquinolin-6-amine.

What is the SMILES notation for 1-(4-bromopyrazol-1-yl)-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)isoquinolin-6-amine;3-[[5-(difluoromethyl)naphthalen-2-yl]methyl]-2H-indazole;3-[[5-(difluoromethyl)naphthalen-2-yl]methyl]-2H-pyrazolo[3,4-b]pyrazine;1-(2,4-dimethylimidazol-1-yl)-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)isoquinolin-6-amine;3-[(5-prop-1-en-2-ylnaphthalen-2-yl)methyl]-2H-pyrazolo[4,3-b]pyridine;N-(5H-pyrrolo[3,4-b]pyridin-7-yl)imidazo[2,1-a]isoquinolin-8-amine;N-(5H-pyrrolo[3,4-b]pyridin-7-yl)-1-(4,4,6,6-tetramethylfuro[3,4-c]pyrazol-2-yl)isoquinolin-6-amine?

The canonical SMILES for 1-(4-bromopyrazol-1-yl)-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)isoquinolin-6-amine;3-[[5-(difluoromethyl)naphthalen-2-yl]methyl]-2H-indazole;3-[[5-(difluoromethyl)naphthalen-2-yl]methyl]-2H-pyrazolo[3,4-b]pyrazine;1-(2,4-dimethylimidazol-1-yl)-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)isoquinolin-6-amine;3-[(5-prop-1-en-2-ylnaphthalen-2-yl)methyl]-2H-pyrazolo[4,3-b]pyridine;N-(5H-pyrrolo[3,4-b]pyridin-7-yl)imidazo[2,1-a]isoquinolin-8-amine;N-(5H-pyrrolo[3,4-b]pyridin-7-yl)-1-(4,4,6,6-tetramethylfuro[3,4-c]pyrazol-2-yl)isoquinolin-6-amine is Brc1cnn(-c2nccc3cc(NC4=NCc5cccnc54)ccc23)c1.C=C(C)c1cccc2cc(Cc3[nH]nc4cccnc34)ccc12.CC1(C)OC(C)(C)c2nn(-c3nccc4cc(NC5=NCc6cccnc65)ccc34)cc21.Cc1cn(-c2nccc3cc(NC4=NCc5cccnc54)ccc23)c(C)n1.FC(F)c1cccc2cc(Cc3[nH]nc4ccccc34)ccc12.FC(F)c1cccc2cc(Cc3[nH]nc4nccnc34)ccc12.c1cnc2c(c1)CN=C2Nc1ccc2c(ccn3ccnc23)c1.

What is the InChIKey of 1-(4-bromopyrazol-1-yl)-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)isoquinolin-6-amine;3-[[5-(difluoromethyl)naphthalen-2-yl]methyl]-2H-indazole;3-[[5-(difluoromethyl)naphthalen-2-yl]methyl]-2H-pyrazolo[3,4-b]pyrazine;1-(2,4-dimethylimidazol-1-yl)-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)isoquinolin-6-amine;3-[(5-prop-1-en-2-ylnaphthalen-2-yl)methyl]-2H-pyrazolo[4,3-b]pyridine;N-(5H-pyrrolo[3,4-b]pyridin-7-yl)imidazo[2,1-a]isoquinolin-8-amine;N-(5H-pyrrolo[3,4-b]pyridin-7-yl)-1-(4,4,6,6-tetramethylfuro[3,4-c]pyrazol-2-yl)isoquinolin-6-amine?

The InChIKey is LDPNOHVZCYJAGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N6O.C21H18N6.C20H17N3.C19H13BrN6.C19H14F2N2.C18H13N5.C17H12F2N4/c1-24(2)19-14-31(30-21(19)25(3,4)32-24)23-18-8-7-17(12-15(18)9-11-27-23)29-22-20-16(13-28-22)6-5-10-26-20;1-13-12-27(14(2)25-13)21-18-6-5-17(10-15(18)7-9-23-21)26-20-19-16(11-24-20)4-3-8-22-19;1-13(2)16-6-3-5-15-11-14(8-9-17(15)16)12-19-20-18(22-23-19)7-4-10-21-20;20-14-10-24-26(11-14)19-16-4-3-15(8-12(16)5-7-22-19)25-18-17-13(9-23-18)2-1-6-21-17;20-19(21)15-6-3-4-13-10-12(8-9-14(13)15)11-18-16-5-1-2-7-17(16)22-23-18;1-2-13-11-21-17(16(13)19-6-1)22-14-3-4-15-12(10-14)5-8-23-9-7-20-18(15)23;18-16(19)13-3-1-2-11-8-10(4-5-12(11)13)9-14-15-17(23-22-14)21-7-6-20-15/h5-12,14H,13H2,1-4H3,(H,28,29);3-10,12H,11H2,1-2H3,(H,24,26);3-11H,1,12H2,2H3,(H,22,23);1-8,10-11H,9H2,(H,23,25);1-10,19H,11H2,(H,22,23);1-10H,11H2,(H,21,22);1-8,16H,9H2,(H,21,22,23).

What are the key properties of 1-(4-bromopyrazol-1-yl)-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)isoquinolin-6-amine;3-[[5-(difluoromethyl)naphthalen-2-yl]methyl]-2H-indazole;3-[[5-(difluoromethyl)naphthalen-2-yl]methyl]-2H-pyrazolo[3,4-b]pyrazine;1-(2,4-dimethylimidazol-1-yl)-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)isoquinolin-6-amine;3-[(5-prop-1-en-2-ylnaphthalen-2-yl)methyl]-2H-pyrazolo[4,3-b]pyridine;N-(5H-pyrrolo[3,4-b]pyridin-7-yl)imidazo[2,1-a]isoquinolin-8-amine;N-(5H-pyrrolo[3,4-b]pyridin-7-yl)-1-(4,4,6,6-tetramethylfuro[3,4-c]pyrazol-2-yl)isoquinolin-6-amine?

1-(4-bromopyrazol-1-yl)-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)isoquinolin-6-amine;3-[[5-(difluoromethyl)naphthalen-2-yl]methyl]-2H-indazole;3-[[5-(difluoromethyl)naphthalen-2-yl]methyl]-2H-pyrazolo[3,4-b]pyrazine;1-(2,4-dimethylimidazol-1-yl)-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)isoquinolin-6-amine;3-[(5-prop-1-en-2-ylnaphthalen-2-yl)methyl]-2H-pyrazolo[4,3-b]pyridine;N-(5H-pyrrolo[3,4-b]pyridin-7-yl)imidazo[2,1-a]isoquinolin-8-amine;N-(5H-pyrrolo[3,4-b]pyridin-7-yl)-1-(4,4,6,6-tetramethylfuro[3,4-c]pyrazol-2-yl)isoquinolin-6-amine has a molecular weight of 2401.54 g/mol, XLogP of 29.71, 16 rotatable bonds, 7 hydrogen bond donors, and 30 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(4-bromopyrazol-1-yl)-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)isoquinolin-6-amine;3-[[5-(difluoromethyl)naphthalen-2-yl]methyl]-2H-indazole;3-[[5-(difluoromethyl)naphthalen-2-yl]methyl]-2H-pyrazolo[3,4-b]pyrazine;1-(2,4-dimethylimidazol-1-yl)-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)isoquinolin-6-amine;3-[(5-prop-1-en-2-ylnaphthalen-2-yl)methyl]-2H-pyrazolo[4,3-b]pyridine;N-(5H-pyrrolo[3,4-b]pyridin-7-yl)imidazo[2,1-a]isoquinolin-8-amine;N-(5H-pyrrolo[3,4-b]pyridin-7-yl)-1-(4,4,6,6-tetramethylfuro[3,4-c]pyrazol-2-yl)isoquinolin-6-amine is sourced from PubChem (CID 159319792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).