6-[[[2-[(6-pyridin-3-yloxy-3-pyridinyl)methyl]pyrazolo[4,3-c]pyridin-4-yl]amino]methyl]isoquinolin-1-amine

C27H22N8O — CID 118482060

IUPAC6-[[[2-[(6-pyridin-3-yloxy-3-pyridinyl)methyl]pyrazolo[4,3-c]pyridin-4-yl]amino]methyl]isoquinolin-1-amine
SMILESNc1nccc2cc(CNc3nccc4nn(Cc5ccc(Oc6cccnc6)nc5)cc34)ccc12
InChIInChI=1S/C27H22N8O/c28-26-22-5-3-18(12-20(22)7-10-30-26)13-33-27-23-17-35(34-24(23)8-11-31-27)16-19-4-6-25(32-14-19)36-21-2-1-9-29-15-21/h1-12,14-15,17H,13,16H2,(H2,28,30)(H,31,33)
InChIKeyDHNBUIHTFVQEEQ-UHFFFAOYSA-N
MW474.53 g/mol
LogP4.80
Rot. Bonds7

About 6-[[[2-[(6-pyridin-3-yloxy-3-pyridinyl)methyl]pyrazolo[4,3-c]pyridin-4-yl]amino]methyl]isoquinolin-1-amine

6-[[[2-[(6-pyridin-3-yloxy-3-pyridinyl)methyl]pyrazolo[4,3-c]pyridin-4-yl]amino]methyl]isoquinolin-1-amine (PubChem CID 118482060) has the molecular formula C27H22N8O and a molecular weight of 474.53 g/mol. Its IUPAC name is 6-[[[2-[(6-pyridin-3-yloxy-3-pyridinyl)methyl]pyrazolo[4,3-c]pyridin-4-yl]amino]methyl]isoquinolin-1-amine.

Molecular Properties

Compound Name6-[[[2-[(6-pyridin-3-yloxy-3-pyridinyl)methyl]pyrazolo[4,3-c]pyridin-4-yl]amino]methyl]isoquinolin-1-amine
PubChem CID118482060
Molecular FormulaC27H22N8O
Molecular Weight474.53 g/mol
Exact Mass474.19
IUPAC Name6-[[[2-[(6-pyridin-3-yloxy-3-pyridinyl)methyl]pyrazolo[4,3-c]pyridin-4-yl]amino]methyl]isoquinolin-1-amine
SMILESNc1nccc2cc(CNc3nccc4nn(Cc5ccc(Oc6cccnc6)nc5)cc34)ccc12
InChIInChI=1S/C27H22N8O/c28-26-22-5-3-18(12-20(22)7-10-30-26)13-33-27-23-17-35(34-24(23)8-11-31-27)16-19-4-6-25(32-14-19)36-21-2-1-9-29-15-21/h1-12,14-15,17H,13,16H2,(H2,28,30)(H,31,33)
InChIKeyDHNBUIHTFVQEEQ-UHFFFAOYSA-N
XLogP4.80
TPSA116.66 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.53
LogP ≤ 54.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 6-[[[2-[(6-pyridin-3-yloxy-3-pyridinyl)methyl]pyrazolo[4,3-c]pyridin-4-yl]amino]methyl]isoquinolin-1-amine with MolForge

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Related Compounds

6-[[[2-[(4-pyridin-3-yloxyphenyl)methyl]pyrazolo[4,3-c]pyridin-4-yl]amino]methyl]isoquinolin-1-amine
CID 118489030
6-[[[2-[[6-(oxan-4-yloxy)-3-pyridinyl]methyl]pyrazolo[4,3-c]pyridin-4-yl]amino]methyl]isoquinolin-1-amine
CID 118482127
6-[[[2-[(5-chloro-6-methoxy-3-pyridinyl)methyl]pyrazolo[4,3-c]pyridin-4-yl]amino]methyl]isoquinolin-1-amine
CID 118482158
6-[[[1-[(4-pyridin-2-yloxyphenyl)methyl]pyrazolo[4,5-c]pyridin-4-yl]amino]methyl]isoquinolin-1-amine
CID 118482122
2-[(1,2-dimethylindol-5-yl)methyl]-N-[(1-methylisoquinolin-6-yl)methyl]pyrazolo[4,3-c]pyridin-4-amine
CID 118508633
6-(aminomethyl)isoquinolin-1-amine;4-chloro-1-[(1,2-dimethylindol-5-yl)methyl]pyrazolo[4,5-c]pyridine;4-chloro-2-[(1,2-dimethylindol-5-yl)methyl]pyrazolo[4,3-c]pyridine;4-chloro-1H-pyrrolo[3,4-c]pyridine;(1,2-dimethylindol-5-yl)methanol;6-[[[1-[(1,2-dimethylindol-5-yl)methyl]pyrazolo[4,5-c]pyridin-4-yl]amino]methyl]isoquinolin-1-amine;6-[[[2-[(1,2-dimethylindol-5-yl)methyl]pyrazolo[4,3-c]pyridin-4-yl]amino]methyl]isoquinolin-1-amine
CID 159832787
N-[(5-chloro-2H-indazol-3-yl)methyl]-2-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]pyrazolo[4,3-c]pyridin-4-amine
CID 118482526
2-fluoro-4-[[[2-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]pyrazolo[4,3-c]pyridin-4-yl]amino]methyl]benzonitrile
CID 118481970
2-(6-pyridin-3-yloxy-3-pyridinyl)ethanamine
CID 80640422
6-(methylaminomethyl)isoquinolin-1-amine
CID 139340899
N-[(6-chloro-1H-benzimidazol-2-yl)methyl]-2-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]pyrazolo[4,3-c]pyridin-4-amine
CID 118482444
6-[(benzylamino)methyl]isoquinolin-1-amine
CID 53322817

Frequently Asked Questions

What is the IUPAC name of 6-[[[2-[(6-pyridin-3-yloxy-3-pyridinyl)methyl]pyrazolo[4,3-c]pyridin-4-yl]amino]methyl]isoquinolin-1-amine?
The IUPAC name of 6-[[[2-[(6-pyridin-3-yloxy-3-pyridinyl)methyl]pyrazolo[4,3-c]pyridin-4-yl]amino]methyl]isoquinolin-1-amine (CID 118482060) is 6-[[[2-[(6-pyridin-3-yloxy-3-pyridinyl)methyl]pyrazolo[4,3-c]pyridin-4-yl]amino]methyl]isoquinolin-1-amine.
What is the SMILES notation for 6-[[[2-[(6-pyridin-3-yloxy-3-pyridinyl)methyl]pyrazolo[4,3-c]pyridin-4-yl]amino]methyl]isoquinolin-1-amine?
The canonical SMILES for 6-[[[2-[(6-pyridin-3-yloxy-3-pyridinyl)methyl]pyrazolo[4,3-c]pyridin-4-yl]amino]methyl]isoquinolin-1-amine is Nc1nccc2cc(CNc3nccc4nn(Cc5ccc(Oc6cccnc6)nc5)cc34)ccc12.
What is the InChIKey of 6-[[[2-[(6-pyridin-3-yloxy-3-pyridinyl)methyl]pyrazolo[4,3-c]pyridin-4-yl]amino]methyl]isoquinolin-1-amine?
The InChIKey is DHNBUIHTFVQEEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H22N8O/c28-26-22-5-3-18(12-20(22)7-10-30-26)13-33-27-23-17-35(34-24(23)8-11-31-27)16-19-4-6-25(32-14-19)36-21-2-1-9-29-15-21/h1-12,14-15,17H,13,16H2,(H2,28,30)(H,31,33).
What are the key properties of 6-[[[2-[(6-pyridin-3-yloxy-3-pyridinyl)methyl]pyrazolo[4,3-c]pyridin-4-yl]amino]methyl]isoquinolin-1-amine?
6-[[[2-[(6-pyridin-3-yloxy-3-pyridinyl)methyl]pyrazolo[4,3-c]pyridin-4-yl]amino]methyl]isoquinolin-1-amine has a molecular weight of 474.53 g/mol, XLogP of 4.80, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[[2-[(6-pyridin-3-yloxy-3-pyridinyl)methyl]pyrazolo[4,3-c]pyridin-4-yl]amino]methyl]isoquinolin-1-amine is sourced from PubChem (CID 118482060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).