1-(3-bromopyrazol-1-yl)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine;1-(difluoromethyl)-N-(1H-indazol-3-yl)isoquinolin-6-amine;1-(2,4-dimethylimidazol-1-yl)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine;3-methyl-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1-(3,3,3-trifluoroprop-1-en-2-yl)isoquinolin-6-amine

C74H55BrF5N23 — CID 162195775

IUPAC1-(3-bromopyrazol-1-yl)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine;1-(difluoromethyl)-N-(1H-indazol-3-yl)isoquinolin-6-amine;1-(2,4-dimethylimidazol-1-yl)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine;3-methyl-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1-(3,3,3-trifluoroprop-1-en-2-yl)isoquinolin-6-amine
SMILESBrc1ccn(-c2nccc3cc(Nc4n[nH]c5cccnc45)ccc23)n1.C=C(c1nc(C)cc2cc(Nc3n[nH]c4cccnc34)ccc12)C(F)(F)F.Cc1cn(-c2nccc3cc(Nc4n[nH]c5cccnc45)ccc23)c(C)n1.FC(F)c1nccc2cc(Nc3n[nH]c4ccccc34)ccc12
InChIInChI=1S/C20H17N7.C19H14F3N5.C18H12BrN7.C17H12F2N4/c1-12-11-27(13(2)23-12)20-16-6-5-15(10-14(16)7-9-22-20)24-19-18-17(25-26-19)4-3-8-21-18;1-10-8-12-9-13(25-18-17-15(26-27-18)4-3-7-23-17)5-6-14(12)16(24-10)11(2)19(20,21)22;19-15-6-9-26(25-15)18-13-4-3-12(10-11(13)5-8-21-18)22-17-16-14(23-24-17)2-1-7-20-16;18-16(19)15-12-6-5-11(9-10(12)7-8-20-15)21-17-13-3-1-2-4-14(13)22-23-17/h3-11H,1-2H3,(H2,24,25,26);3-9H,2H2,1H3,(H2,25,26,27);1-10H,(H2,22,23,24);1-9,16H,(H2,21,22,23)
InChIKeyZQXLSGXBALBSDZ-UHFFFAOYSA-N
MW1441.31 g/mol
LogP18.18
Rot. Bonds12

About 1-(3-bromopyrazol-1-yl)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine;1-(difluoromethyl)-N-(1H-indazol-3-yl)isoquinolin-6-amine;1-(2,4-dimethylimidazol-1-yl)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine;3-methyl-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1-(3,3,3-trifluoroprop-1-en-2-yl)isoquinolin-6-amine

1-(3-bromopyrazol-1-yl)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine;1-(difluoromethyl)-N-(1H-indazol-3-yl)isoquinolin-6-amine;1-(2,4-dimethylimidazol-1-yl)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine;3-methyl-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1-(3,3,3-trifluoroprop-1-en-2-yl)isoquinolin-6-amine (PubChem CID 162195775) has the molecular formula C74H55BrF5N23 and a molecular weight of 1441.31 g/mol. Its IUPAC name is 1-(3-bromopyrazol-1-yl)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine;1-(difluoromethyl)-N-(1H-indazol-3-yl)isoquinolin-6-amine;1-(2,4-dimethylimidazol-1-yl)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine;3-methyl-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1-(3,3,3-trifluoroprop-1-en-2-yl)isoquinolin-6-amine.

Molecular Properties

Compound Name1-(3-bromopyrazol-1-yl)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine;1-(difluoromethyl)-N-(1H-indazol-3-yl)isoquinolin-6-amine;1-(2,4-dimethylimidazol-1-yl)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine;3-methyl-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1-(3,3,3-trifluoroprop-1-en-2-yl)isoquinolin-6-amine
PubChem CID162195775
Molecular FormulaC74H55BrF5N23
Molecular Weight1441.31 g/mol
Exact Mass1439.41
IUPAC Name1-(3-bromopyrazol-1-yl)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine;1-(difluoromethyl)-N-(1H-indazol-3-yl)isoquinolin-6-amine;1-(2,4-dimethylimidazol-1-yl)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine;3-methyl-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1-(3,3,3-trifluoroprop-1-en-2-yl)isoquinolin-6-amine
SMILESBrc1ccn(-c2nccc3cc(Nc4n[nH]c5cccnc45)ccc23)n1.C=C(c1nc(C)cc2cc(Nc3n[nH]c4cccnc34)ccc12)C(F)(F)F.Cc1cn(-c2nccc3cc(Nc4n[nH]c5cccnc45)ccc23)c(C)n1.FC(F)c1nccc2cc(Nc3n[nH]c4ccccc34)ccc12
InChIInChI=1S/C20H17N7.C19H14F3N5.C18H12BrN7.C17H12F2N4/c1-12-11-27(13(2)23-12)20-16-6-5-15(10-14(16)7-9-22-20)24-19-18-17(25-26-19)4-3-8-21-18;1-10-8-12-9-13(25-18-17-15(26-27-18)4-3-7-23-17)5-6-14(12)16(24-10)11(2)19(20,21)22;19-15-6-9-26(25-15)18-13-4-3-12(10-11(13)5-8-21-18)22-17-16-14(23-24-17)2-1-7-20-16;18-16(19)15-12-6-5-11(9-10(12)7-8-20-15)21-17-13-3-1-2-4-14(13)22-23-17/h3-11H,1-2H3,(H2,24,25,26);3-9H,2H2,1H3,(H2,25,26,27);1-10H,(H2,22,23,24);1-9,16H,(H2,21,22,23)
InChIKeyZQXLSGXBALBSDZ-UHFFFAOYSA-N
XLogP18.18
TPSA288.71 Ų
H-Bond Donors8
H-Bond Acceptors19
Rotatable Bonds12
Heavy Atoms103
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001441.31
LogP ≤ 518.18
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1019

Analyze 1-(3-bromopyrazol-1-yl)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine;1-(difluoromethyl)-N-(1H-indazol-3-yl)isoquinolin-6-amine;1-(2,4-dimethylimidazol-1-yl)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine;3-methyl-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1-(3,3,3-trifluoroprop-1-en-2-yl)isoquinolin-6-amine with MolForge

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Related Compounds

7-(2,6-difluoro-4-((1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)phenyl)-3-(1H-indazol-4-yl)-2-(pyridin-4-yl)pyrazolo[1,5-a]pyrimidine
CID 44187005
7-(2-Fluoro-4-((1s,4s)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)phenyl)-3-(1h-indazol-4-yl)-2-(pyridin-4-yl)pyrazolo[1,5-a]pyrimidine
CID 49836539
7-(2,3-difluoro-4-((1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)phenyl)-3-(1H-indazol-4-yl)-2-(pyridin-4-yl)pyrazolo[1,5-a]pyrimidine
CID 49836748
7-(2,5-difluoro-4-((1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)phenyl)-3-(1H-indazol-4-yl)-2-(pyridin-4-yl)pyrazolo[1,5-a]pyrimidine
CID 49836749
3-(1H-indazol-4-yl)-2-(pyridin-4-yl)-7-(2,3,5,6-tetrafluoro-4-((1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)phenyl)pyrazolo[1,5-a]pyrimidine
CID 49836854
3-(7-fluoro-1H-indazol-4-yl)-7-[2-fluoro-4-[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]phenyl]-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidine
CID 49836965
7-(2,6-Difluoro-4-((1s,4s)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)phenyl)-3-(7-fluoro-1h-indazol-4-yl)-2-(pyridin-4-yl)pyrazolo[1,5-a]pyrimidine
CID 49836966
7-[4-[(1S,4S)-5-ethyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-2,6-difluorophenyl]-3-(1H-indazol-4-yl)-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidine
CID 49837300
7-[2,6-difluoro-4-[(1S,4S)-5-propan-2-yl-2,5-diazabicyclo[2.2.1]heptan-2-yl]phenyl]-3-(1H-indazol-4-yl)-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidine
CID 49837301
7-[2,6-difluoro-4-[(1S,4S)-5-(2-methylpropyl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]phenyl]-3-(1H-indazol-4-yl)-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidine
CID 49837401
3-(1H-indazol-4-yl)-7-(4-((1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)-2-(trifluoromethyl)phenyl)-2-(pyridin-4-yl)pyrazolo[1,5-a]pyrimidine
CID 49836542
7-(3-fluoro-4-((1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)phenyl)-3-(1H-indazol-4-yl)-2-(pyridin-4-yl)pyrazolo[1,5-a]pyrimidine
CID 49836647

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromopyrazol-1-yl)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine;1-(difluoromethyl)-N-(1H-indazol-3-yl)isoquinolin-6-amine;1-(2,4-dimethylimidazol-1-yl)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine;3-methyl-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1-(3,3,3-trifluoroprop-1-en-2-yl)isoquinolin-6-amine?
The IUPAC name of 1-(3-bromopyrazol-1-yl)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine;1-(difluoromethyl)-N-(1H-indazol-3-yl)isoquinolin-6-amine;1-(2,4-dimethylimidazol-1-yl)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine;3-methyl-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1-(3,3,3-trifluoroprop-1-en-2-yl)isoquinolin-6-amine (CID 162195775) is 1-(3-bromopyrazol-1-yl)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine;1-(difluoromethyl)-N-(1H-indazol-3-yl)isoquinolin-6-amine;1-(2,4-dimethylimidazol-1-yl)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine;3-methyl-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1-(3,3,3-trifluoroprop-1-en-2-yl)isoquinolin-6-amine.
What is the SMILES notation for 1-(3-bromopyrazol-1-yl)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine;1-(difluoromethyl)-N-(1H-indazol-3-yl)isoquinolin-6-amine;1-(2,4-dimethylimidazol-1-yl)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine;3-methyl-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1-(3,3,3-trifluoroprop-1-en-2-yl)isoquinolin-6-amine?
The canonical SMILES for 1-(3-bromopyrazol-1-yl)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine;1-(difluoromethyl)-N-(1H-indazol-3-yl)isoquinolin-6-amine;1-(2,4-dimethylimidazol-1-yl)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine;3-methyl-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1-(3,3,3-trifluoroprop-1-en-2-yl)isoquinolin-6-amine is Brc1ccn(-c2nccc3cc(Nc4n[nH]c5cccnc45)ccc23)n1.C=C(c1nc(C)cc2cc(Nc3n[nH]c4cccnc34)ccc12)C(F)(F)F.Cc1cn(-c2nccc3cc(Nc4n[nH]c5cccnc45)ccc23)c(C)n1.FC(F)c1nccc2cc(Nc3n[nH]c4ccccc34)ccc12.
What is the InChIKey of 1-(3-bromopyrazol-1-yl)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine;1-(difluoromethyl)-N-(1H-indazol-3-yl)isoquinolin-6-amine;1-(2,4-dimethylimidazol-1-yl)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine;3-methyl-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1-(3,3,3-trifluoroprop-1-en-2-yl)isoquinolin-6-amine?
The InChIKey is ZQXLSGXBALBSDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N7.C19H14F3N5.C18H12BrN7.C17H12F2N4/c1-12-11-27(13(2)23-12)20-16-6-5-15(10-14(16)7-9-22-20)24-19-18-17(25-26-19)4-3-8-21-18;1-10-8-12-9-13(25-18-17-15(26-27-18)4-3-7-23-17)5-6-14(12)16(24-10)11(2)19(20,21)22;19-15-6-9-26(25-15)18-13-4-3-12(10-11(13)5-8-21-18)22-17-16-14(23-24-17)2-1-7-20-16;18-16(19)15-12-6-5-11(9-10(12)7-8-20-15)21-17-13-3-1-2-4-14(13)22-23-17/h3-11H,1-2H3,(H2,24,25,26);3-9H,2H2,1H3,(H2,25,26,27);1-10H,(H2,22,23,24);1-9,16H,(H2,21,22,23).
What are the key properties of 1-(3-bromopyrazol-1-yl)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine;1-(difluoromethyl)-N-(1H-indazol-3-yl)isoquinolin-6-amine;1-(2,4-dimethylimidazol-1-yl)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine;3-methyl-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1-(3,3,3-trifluoroprop-1-en-2-yl)isoquinolin-6-amine?
1-(3-bromopyrazol-1-yl)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine;1-(difluoromethyl)-N-(1H-indazol-3-yl)isoquinolin-6-amine;1-(2,4-dimethylimidazol-1-yl)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine;3-methyl-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1-(3,3,3-trifluoroprop-1-en-2-yl)isoquinolin-6-amine has a molecular weight of 1441.31 g/mol, XLogP of 18.18, 12 rotatable bonds, 8 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromopyrazol-1-yl)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine;1-(difluoromethyl)-N-(1H-indazol-3-yl)isoquinolin-6-amine;1-(2,4-dimethylimidazol-1-yl)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine;3-methyl-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1-(3,3,3-trifluoroprop-1-en-2-yl)isoquinolin-6-amine is sourced from PubChem (CID 162195775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).