6-[[[2-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]pyrazolo[3,4-c]pyridin-7-yl]amino]methyl]isoquinolin-1-amine;6-[[[2-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]pyrazolo[4,3-c]pyridin-4-yl]amino]methyl]isoquinolin-1-amine

C54H48N16 — CID 144957950

IUPAC6-[[[2-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]pyrazolo[3,4-c]pyridin-7-yl]amino]methyl]isoquinolin-1-amine;6-[[[2-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]pyrazolo[4,3-c]pyridin-4-yl]amino]methyl]isoquinolin-1-amine
SMILESNc1nccc2cc(CNc3nccc4cn(Cc5ccc(Cn6cccn6)cc5)nc34)ccc12.Nc1nccc2cc(CNc3nccc4nn(Cc5ccc(Cn6cccn6)cc5)cc34)ccc12
InChIInChI=1S/2C27H24N8/c28-26-24-7-6-21(14-22(24)8-11-29-26)15-31-27-25-23(9-12-30-27)18-35(33-25)17-20-4-2-19(3-5-20)16-34-13-1-10-32-34;28-26-23-7-6-21(14-22(23)8-11-29-26)15-31-27-24-18-35(33-25(24)9-12-30-27)17-20-4-2-19(3-5-20)16-34-13-1-10-32-34/h2*1-14,18H,15-17H2,(H2,28,29)(H,30,31)
InChIKeyZMLOUHNCHLEGIV-UHFFFAOYSA-N
MW921.09 g/mol
LogP8.93
Rot. Bonds14

About 6-[[[2-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]pyrazolo[3,4-c]pyridin-7-yl]amino]methyl]isoquinolin-1-amine;6-[[[2-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]pyrazolo[4,3-c]pyridin-4-yl]amino]methyl]isoquinolin-1-amine

6-[[[2-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]pyrazolo[3,4-c]pyridin-7-yl]amino]methyl]isoquinolin-1-amine;6-[[[2-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]pyrazolo[4,3-c]pyridin-4-yl]amino]methyl]isoquinolin-1-amine (PubChem CID 144957950) has the molecular formula C54H48N16 and a molecular weight of 921.09 g/mol. Its IUPAC name is 6-[[[2-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]pyrazolo[3,4-c]pyridin-7-yl]amino]methyl]isoquinolin-1-amine;6-[[[2-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]pyrazolo[4,3-c]pyridin-4-yl]amino]methyl]isoquinolin-1-amine.

Molecular Properties

Compound Name6-[[[2-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]pyrazolo[3,4-c]pyridin-7-yl]amino]methyl]isoquinolin-1-amine;6-[[[2-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]pyrazolo[4,3-c]pyridin-4-yl]amino]methyl]isoquinolin-1-amine
PubChem CID144957950
Molecular FormulaC54H48N16
Molecular Weight921.09 g/mol
Exact Mass920.42
IUPAC Name6-[[[2-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]pyrazolo[3,4-c]pyridin-7-yl]amino]methyl]isoquinolin-1-amine;6-[[[2-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]pyrazolo[4,3-c]pyridin-4-yl]amino]methyl]isoquinolin-1-amine
SMILESNc1nccc2cc(CNc3nccc4cn(Cc5ccc(Cn6cccn6)cc5)nc34)ccc12.Nc1nccc2cc(CNc3nccc4nn(Cc5ccc(Cn6cccn6)cc5)cc34)ccc12
InChIInChI=1S/2C27H24N8/c28-26-24-7-6-21(14-22(24)8-11-29-26)15-31-27-25-23(9-12-30-27)18-35(33-25)17-20-4-2-19(3-5-20)16-34-13-1-10-32-34;28-26-23-7-6-21(14-22(23)8-11-29-26)15-31-27-24-18-35(33-25(24)9-12-30-27)17-20-4-2-19(3-5-20)16-34-13-1-10-32-34/h2*1-14,18H,15-17H2,(H2,28,29)(H,30,31)
InChIKeyZMLOUHNCHLEGIV-UHFFFAOYSA-N
XLogP8.93
TPSA198.94 Ų
H-Bond Donors4
H-Bond Acceptors16
Rotatable Bonds14
Heavy Atoms70
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500921.09
LogP ≤ 58.93
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1016

Analyze 6-[[[2-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]pyrazolo[3,4-c]pyridin-7-yl]amino]methyl]isoquinolin-1-amine;6-[[[2-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]pyrazolo[4,3-c]pyridin-4-yl]amino]methyl]isoquinolin-1-amine with MolForge

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Related Compounds

9-phenyl-8-(4-((4-(4-(pyridin-2-yl)-1H-imidazol-1-yl)piperidin-1-yl)methyl)phenyl)-[1,2,4]triazolo[3,4-f][1,6]naphthyridin-3-amine
CID 15979150
8-[6-[6-(6-Methylpyrazin-2-yl)pyrazolo[4,3-c]pyridin-1-yl]-2-pyridinyl]-1,8-diazaspiro[4.5]decane
CID 72714387
8-methyl-9-[4-(1-methylpyrazol-4-yl)phenyl]-N-[1-(pyridin-4-ylmethyl)pyrazol-4-yl]-5,6-dihydropyrazolo[3,4-h]quinazolin-2-amine
CID 89708770
8-[6-[6-(6-Methylpyrazin-2-yl)pyrazolo[4,3-c]pyridin-1-yl]-2-pyridinyl]-2,8-diazaspiro[4.5]decane
CID 89914516
2-[6-[6-(6-Methylpyrazin-2-yl)pyrazolo[4,3-c]pyridin-1-yl]-2-pyridinyl]-2,8-diazaspiro[4.5]decane
CID 89914578
Phenethyl-(2-phenyl-2H-pyrazolo[3,4-c]quinolin-4-yl)-amine
CID 10522801
Benzyl-(2-phenyl-2H-pyrazolo[3,4-c]quinolin-4-yl)-amine
CID 10617844
7-[[1-(1,2,3,4-tetrahydroisoquinolin-6-ylmethyl)pyrazol-3-yl]methyl]-2H-triazolo[4,5-b]pyridin-5-amine
CID 164611334
7-[[1-(isoquinolin-6-ylmethyl)pyrazol-3-yl]methyl]-2H-triazolo[4,5-b]pyridin-5-amine
CID 164621182
US11014929, Example 112
CID 134326800
US11014929, Example 110
CID 134326809
US11014929, Example 107
CID 134327020

Frequently Asked Questions

What is the IUPAC name of 6-[[[2-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]pyrazolo[3,4-c]pyridin-7-yl]amino]methyl]isoquinolin-1-amine;6-[[[2-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]pyrazolo[4,3-c]pyridin-4-yl]amino]methyl]isoquinolin-1-amine?
The IUPAC name of 6-[[[2-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]pyrazolo[3,4-c]pyridin-7-yl]amino]methyl]isoquinolin-1-amine;6-[[[2-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]pyrazolo[4,3-c]pyridin-4-yl]amino]methyl]isoquinolin-1-amine (CID 144957950) is 6-[[[2-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]pyrazolo[3,4-c]pyridin-7-yl]amino]methyl]isoquinolin-1-amine;6-[[[2-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]pyrazolo[4,3-c]pyridin-4-yl]amino]methyl]isoquinolin-1-amine.
What is the SMILES notation for 6-[[[2-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]pyrazolo[3,4-c]pyridin-7-yl]amino]methyl]isoquinolin-1-amine;6-[[[2-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]pyrazolo[4,3-c]pyridin-4-yl]amino]methyl]isoquinolin-1-amine?
The canonical SMILES for 6-[[[2-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]pyrazolo[3,4-c]pyridin-7-yl]amino]methyl]isoquinolin-1-amine;6-[[[2-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]pyrazolo[4,3-c]pyridin-4-yl]amino]methyl]isoquinolin-1-amine is Nc1nccc2cc(CNc3nccc4cn(Cc5ccc(Cn6cccn6)cc5)nc34)ccc12.Nc1nccc2cc(CNc3nccc4nn(Cc5ccc(Cn6cccn6)cc5)cc34)ccc12.
What is the InChIKey of 6-[[[2-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]pyrazolo[3,4-c]pyridin-7-yl]amino]methyl]isoquinolin-1-amine;6-[[[2-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]pyrazolo[4,3-c]pyridin-4-yl]amino]methyl]isoquinolin-1-amine?
The InChIKey is ZMLOUHNCHLEGIV-UHFFFAOYSA-N. The full InChI is InChI=1S/2C27H24N8/c28-26-24-7-6-21(14-22(24)8-11-29-26)15-31-27-25-23(9-12-30-27)18-35(33-25)17-20-4-2-19(3-5-20)16-34-13-1-10-32-34;28-26-23-7-6-21(14-22(23)8-11-29-26)15-31-27-24-18-35(33-25(24)9-12-30-27)17-20-4-2-19(3-5-20)16-34-13-1-10-32-34/h2*1-14,18H,15-17H2,(H2,28,29)(H,30,31).
What are the key properties of 6-[[[2-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]pyrazolo[3,4-c]pyridin-7-yl]amino]methyl]isoquinolin-1-amine;6-[[[2-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]pyrazolo[4,3-c]pyridin-4-yl]amino]methyl]isoquinolin-1-amine?
6-[[[2-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]pyrazolo[3,4-c]pyridin-7-yl]amino]methyl]isoquinolin-1-amine;6-[[[2-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]pyrazolo[4,3-c]pyridin-4-yl]amino]methyl]isoquinolin-1-amine has a molecular weight of 921.09 g/mol, XLogP of 8.93, 14 rotatable bonds, 4 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[[2-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]pyrazolo[3,4-c]pyridin-7-yl]amino]methyl]isoquinolin-1-amine;6-[[[2-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]pyrazolo[4,3-c]pyridin-4-yl]amino]methyl]isoquinolin-1-amine is sourced from PubChem (CID 144957950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).