1-(3,3-difluorobutan-2-yl)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine;1-(1,1-difluoroethyl)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine;1-(3,5-dimethylpyrazol-1-yl)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine;8-(2H-pyrazolo[4,3-b]pyridin-3-ylmethyl)imidazo[2,1-a]isoquinoline;8-(2H-pyrazolo[4,3-b]pyridin-3-ylmethyl)tetrazolo[5,1-a]isoquinoline

C90H71F4N29 — CID 158336831

IUPAC1-(3,3-difluorobutan-2-yl)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine;1-(1,1-difluoroethyl)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine;1-(3,5-dimethylpyrazol-1-yl)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine;8-(2H-pyrazolo[4,3-b]pyridin-3-ylmethyl)imidazo[2,1-a]isoquinoline;8-(2H-pyrazolo[4,3-b]pyridin-3-ylmethyl)tetrazolo[5,1-a]isoquinoline
SMILESCC(F)(F)c1nccc2cc(Nc3n[nH]c4cccnc34)ccc12.CC(c1nccc2cc(Nc3n[nH]c4cccnc34)ccc12)C(C)(F)F.Cc1cc(C)n(-c2nccc3cc(Nc4n[nH]c5cccnc45)ccc23)n1.c1cnc2c(Cc3ccc4c(ccn5ccnc45)c3)[nH]nc2c1.c1cnc2c(Cc3ccc4c(ccn5nnnc45)c3)[nH]nc2c1
InChIInChI=1S/C20H17N7.C19H17F2N5.C18H13N5.C17H13F2N5.C16H11N7/c1-12-10-13(2)27(26-12)20-16-6-5-15(11-14(16)7-9-22-20)23-19-18-17(24-25-19)4-3-8-21-18;1-11(19(2,20)21)16-14-6-5-13(10-12(14)7-9-23-16)24-18-17-15(25-26-18)4-3-8-22-17;1-2-15-17(19-6-1)16(22-21-15)11-12-3-4-14-13(10-12)5-8-23-9-7-20-18(14)23;1-17(18,19)15-12-5-4-11(9-10(12)6-8-21-15)22-16-14-13(23-24-16)3-2-7-20-14;1-2-13-15(17-6-1)14(19-18-13)9-10-3-4-12-11(8-10)5-7-23-16(12)20-21-22-23/h3-11H,1-2H3,(H2,23,24,25);3-11H,1-2H3,(H2,24,25,26);1-10H,11H2,(H,21,22);2-9H,1H3,(H2,22,23,24);1-8H,9H2,(H,18,19)
InChIKeyGQRLLWOUISOWPF-UHFFFAOYSA-N
MW1634.75 g/mol
LogP18.91
Rot. Bonds14

About 1-(3,3-difluorobutan-2-yl)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine;1-(1,1-difluoroethyl)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine;1-(3,5-dimethylpyrazol-1-yl)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine;8-(2H-pyrazolo[4,3-b]pyridin-3-ylmethyl)imidazo[2,1-a]isoquinoline;8-(2H-pyrazolo[4,3-b]pyridin-3-ylmethyl)tetrazolo[5,1-a]isoquinoline

1-(3,3-difluorobutan-2-yl)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine;1-(1,1-difluoroethyl)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine;1-(3,5-dimethylpyrazol-1-yl)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine;8-(2H-pyrazolo[4,3-b]pyridin-3-ylmethyl)imidazo[2,1-a]isoquinoline;8-(2H-pyrazolo[4,3-b]pyridin-3-ylmethyl)tetrazolo[5,1-a]isoquinoline (PubChem CID 158336831) has the molecular formula C90H71F4N29 and a molecular weight of 1634.75 g/mol. Its IUPAC name is 1-(3,3-difluorobutan-2-yl)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine;1-(1,1-difluoroethyl)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine;1-(3,5-dimethylpyrazol-1-yl)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine;8-(2H-pyrazolo[4,3-b]pyridin-3-ylmethyl)imidazo[2,1-a]isoquinoline;8-(2H-pyrazolo[4,3-b]pyridin-3-ylmethyl)tetrazolo[5,1-a]isoquinoline.

Molecular Properties

Compound Name1-(3,3-difluorobutan-2-yl)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine;1-(1,1-difluoroethyl)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine;1-(3,5-dimethylpyrazol-1-yl)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine;8-(2H-pyrazolo[4,3-b]pyridin-3-ylmethyl)imidazo[2,1-a]isoquinoline;8-(2H-pyrazolo[4,3-b]pyridin-3-ylmethyl)tetrazolo[5,1-a]isoquinoline
PubChem CID158336831
Molecular FormulaC90H71F4N29
Molecular Weight1634.75 g/mol
Exact Mass1633.64
IUPAC Name1-(3,3-difluorobutan-2-yl)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine;1-(1,1-difluoroethyl)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine;1-(3,5-dimethylpyrazol-1-yl)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine;8-(2H-pyrazolo[4,3-b]pyridin-3-ylmethyl)imidazo[2,1-a]isoquinoline;8-(2H-pyrazolo[4,3-b]pyridin-3-ylmethyl)tetrazolo[5,1-a]isoquinoline
SMILESCC(F)(F)c1nccc2cc(Nc3n[nH]c4cccnc34)ccc12.CC(c1nccc2cc(Nc3n[nH]c4cccnc34)ccc12)C(C)(F)F.Cc1cc(C)n(-c2nccc3cc(Nc4n[nH]c5cccnc45)ccc23)n1.c1cnc2c(Cc3ccc4c(ccn5ccnc45)c3)[nH]nc2c1.c1cnc2c(Cc3ccc4c(ccn5nnnc45)c3)[nH]nc2c1
InChIInChI=1S/C20H17N7.C19H17F2N5.C18H13N5.C17H13F2N5.C16H11N7/c1-12-10-13(2)27(26-12)20-16-6-5-15(11-14(16)7-9-22-20)23-19-18-17(24-25-19)4-3-8-21-18;1-11(19(2,20)21)16-14-6-5-13(10-12(14)7-9-23-16)24-18-17-15(25-26-18)4-3-8-22-17;1-2-15-17(19-6-1)16(22-21-15)11-12-3-4-14-13(10-12)5-8-23-9-7-20-18(14)23;1-17(18,19)15-12-5-4-11(9-10(12)6-8-21-15)22-16-14-13(23-24-16)3-2-7-20-14;1-2-13-15(17-6-1)14(19-18-13)9-10-3-4-12-11(8-10)5-7-23-16(12)20-21-22-23/h3-11H,1-2H3,(H2,23,24,25);3-11H,1-2H3,(H2,24,25,26);1-10H,11H2,(H,21,22);2-9H,1H3,(H2,22,23,24);1-8H,9H2,(H,18,19)
InChIKeyGQRLLWOUISOWPF-UHFFFAOYSA-N
XLogP18.91
TPSA360.81 Ų
H-Bond Donors8
H-Bond Acceptors24
Rotatable Bonds14
Heavy Atoms123
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001634.75
LogP ≤ 518.91
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1024

Analyze 1-(3,3-difluorobutan-2-yl)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine;1-(1,1-difluoroethyl)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine;1-(3,5-dimethylpyrazol-1-yl)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine;8-(2H-pyrazolo[4,3-b]pyridin-3-ylmethyl)imidazo[2,1-a]isoquinoline;8-(2H-pyrazolo[4,3-b]pyridin-3-ylmethyl)tetrazolo[5,1-a]isoquinoline 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
3-(1h-Indazol-4-yl)-7-(2-methyl-4-((1s,4s)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)phenyl)-2-(pyridin-4-yl)pyrazolo[1,5-a]pyrimidine
CID 49836427
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
3-(1H-indazol-4-yl)-7-(4-((1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)naphthalen-1-yl)-2-(pyridin-4-yl)pyrazolo[1,5-a]pyrimidine
CID 49836649
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-(4-((1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)phenyl)-2-(pyridin-4-yl)pyrazolo[1,5-a]pyrimidine
CID 49836857
3-(7-fluoro-1H-indazol-4-yl)-7-[2-methyl-4-[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]phenyl]-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidine
CID 49836964
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

Frequently Asked Questions

What is the IUPAC name of 1-(3,3-difluorobutan-2-yl)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine;1-(1,1-difluoroethyl)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine;1-(3,5-dimethylpyrazol-1-yl)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine;8-(2H-pyrazolo[4,3-b]pyridin-3-ylmethyl)imidazo[2,1-a]isoquinoline;8-(2H-pyrazolo[4,3-b]pyridin-3-ylmethyl)tetrazolo[5,1-a]isoquinoline?
The IUPAC name of 1-(3,3-difluorobutan-2-yl)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine;1-(1,1-difluoroethyl)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine;1-(3,5-dimethylpyrazol-1-yl)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine;8-(2H-pyrazolo[4,3-b]pyridin-3-ylmethyl)imidazo[2,1-a]isoquinoline;8-(2H-pyrazolo[4,3-b]pyridin-3-ylmethyl)tetrazolo[5,1-a]isoquinoline (CID 158336831) is 1-(3,3-difluorobutan-2-yl)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine;1-(1,1-difluoroethyl)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine;1-(3,5-dimethylpyrazol-1-yl)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine;8-(2H-pyrazolo[4,3-b]pyridin-3-ylmethyl)imidazo[2,1-a]isoquinoline;8-(2H-pyrazolo[4,3-b]pyridin-3-ylmethyl)tetrazolo[5,1-a]isoquinoline.
What is the SMILES notation for 1-(3,3-difluorobutan-2-yl)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine;1-(1,1-difluoroethyl)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine;1-(3,5-dimethylpyrazol-1-yl)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine;8-(2H-pyrazolo[4,3-b]pyridin-3-ylmethyl)imidazo[2,1-a]isoquinoline;8-(2H-pyrazolo[4,3-b]pyridin-3-ylmethyl)tetrazolo[5,1-a]isoquinoline?
The canonical SMILES for 1-(3,3-difluorobutan-2-yl)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine;1-(1,1-difluoroethyl)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine;1-(3,5-dimethylpyrazol-1-yl)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine;8-(2H-pyrazolo[4,3-b]pyridin-3-ylmethyl)imidazo[2,1-a]isoquinoline;8-(2H-pyrazolo[4,3-b]pyridin-3-ylmethyl)tetrazolo[5,1-a]isoquinoline is CC(F)(F)c1nccc2cc(Nc3n[nH]c4cccnc34)ccc12.CC(c1nccc2cc(Nc3n[nH]c4cccnc34)ccc12)C(C)(F)F.Cc1cc(C)n(-c2nccc3cc(Nc4n[nH]c5cccnc45)ccc23)n1.c1cnc2c(Cc3ccc4c(ccn5ccnc45)c3)[nH]nc2c1.c1cnc2c(Cc3ccc4c(ccn5nnnc45)c3)[nH]nc2c1.
What is the InChIKey of 1-(3,3-difluorobutan-2-yl)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine;1-(1,1-difluoroethyl)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine;1-(3,5-dimethylpyrazol-1-yl)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine;8-(2H-pyrazolo[4,3-b]pyridin-3-ylmethyl)imidazo[2,1-a]isoquinoline;8-(2H-pyrazolo[4,3-b]pyridin-3-ylmethyl)tetrazolo[5,1-a]isoquinoline?
The InChIKey is GQRLLWOUISOWPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N7.C19H17F2N5.C18H13N5.C17H13F2N5.C16H11N7/c1-12-10-13(2)27(26-12)20-16-6-5-15(11-14(16)7-9-22-20)23-19-18-17(24-25-19)4-3-8-21-18;1-11(19(2,20)21)16-14-6-5-13(10-12(14)7-9-23-16)24-18-17-15(25-26-18)4-3-8-22-17;1-2-15-17(19-6-1)16(22-21-15)11-12-3-4-14-13(10-12)5-8-23-9-7-20-18(14)23;1-17(18,19)15-12-5-4-11(9-10(12)6-8-21-15)22-16-14-13(23-24-16)3-2-7-20-14;1-2-13-15(17-6-1)14(19-18-13)9-10-3-4-12-11(8-10)5-7-23-16(12)20-21-22-23/h3-11H,1-2H3,(H2,23,24,25);3-11H,1-2H3,(H2,24,25,26);1-10H,11H2,(H,21,22);2-9H,1H3,(H2,22,23,24);1-8H,9H2,(H,18,19).
What are the key properties of 1-(3,3-difluorobutan-2-yl)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine;1-(1,1-difluoroethyl)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine;1-(3,5-dimethylpyrazol-1-yl)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine;8-(2H-pyrazolo[4,3-b]pyridin-3-ylmethyl)imidazo[2,1-a]isoquinoline;8-(2H-pyrazolo[4,3-b]pyridin-3-ylmethyl)tetrazolo[5,1-a]isoquinoline?
1-(3,3-difluorobutan-2-yl)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine;1-(1,1-difluoroethyl)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine;1-(3,5-dimethylpyrazol-1-yl)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine;8-(2H-pyrazolo[4,3-b]pyridin-3-ylmethyl)imidazo[2,1-a]isoquinoline;8-(2H-pyrazolo[4,3-b]pyridin-3-ylmethyl)tetrazolo[5,1-a]isoquinoline has a molecular weight of 1634.75 g/mol, XLogP of 18.91, 14 rotatable bonds, 8 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,3-difluorobutan-2-yl)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine;1-(1,1-difluoroethyl)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine;1-(3,5-dimethylpyrazol-1-yl)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine;8-(2H-pyrazolo[4,3-b]pyridin-3-ylmethyl)imidazo[2,1-a]isoquinoline;8-(2H-pyrazolo[4,3-b]pyridin-3-ylmethyl)tetrazolo[5,1-a]isoquinoline is sourced from PubChem (CID 158336831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).