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

C28H23N7O — CID 118489030

IUPAC6-[[[2-[(4-pyridin-3-yloxyphenyl)methyl]pyrazolo[4,3-c]pyridin-4-yl]amino]methyl]isoquinolin-1-amine
SMILESNc1nccc2cc(CNc3nccc4nn(Cc5ccc(Oc6cccnc6)cc5)cc34)ccc12
InChIInChI=1S/C28H23N7O/c29-27-24-8-5-20(14-21(24)9-12-31-27)15-33-28-25-18-35(34-26(25)10-13-32-28)17-19-3-6-22(7-4-19)36-23-2-1-11-30-16-23/h1-14,16,18H,15,17H2,(H2,29,31)(H,32,33)
InChIKeyGGASLMSARWTGOS-UHFFFAOYSA-N
MW473.54 g/mol
LogP5.41
Rot. Bonds7

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

6-[[[2-[(4-pyridin-3-yloxyphenyl)methyl]pyrazolo[4,3-c]pyridin-4-yl]amino]methyl]isoquinolin-1-amine (PubChem CID 118489030) has the molecular formula C28H23N7O and a molecular weight of 473.54 g/mol. Its IUPAC name is 6-[[[2-[(4-pyridin-3-yloxyphenyl)methyl]pyrazolo[4,3-c]pyridin-4-yl]amino]methyl]isoquinolin-1-amine.

Molecular Properties

Compound Name6-[[[2-[(4-pyridin-3-yloxyphenyl)methyl]pyrazolo[4,3-c]pyridin-4-yl]amino]methyl]isoquinolin-1-amine
PubChem CID118489030
Molecular FormulaC28H23N7O
Molecular Weight473.54 g/mol
Exact Mass473.20
IUPAC Name6-[[[2-[(4-pyridin-3-yloxyphenyl)methyl]pyrazolo[4,3-c]pyridin-4-yl]amino]methyl]isoquinolin-1-amine
SMILESNc1nccc2cc(CNc3nccc4nn(Cc5ccc(Oc6cccnc6)cc5)cc34)ccc12
InChIInChI=1S/C28H23N7O/c29-27-24-8-5-20(14-21(24)9-12-31-27)15-33-28-25-18-35(34-26(25)10-13-32-28)17-19-3-6-22(7-4-19)36-23-2-1-11-30-16-23/h1-14,16,18H,15,17H2,(H2,29,31)(H,32,33)
InChIKeyGGASLMSARWTGOS-UHFFFAOYSA-N
XLogP5.41
TPSA103.77 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500473.54
LogP ≤ 55.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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

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Related Compounds

6-[[[2-[(6-pyridin-3-yloxy-3-pyridinyl)methyl]pyrazolo[4,3-c]pyridin-4-yl]amino]methyl]isoquinolin-1-amine
CID 118482060
6-[[[2-[(5-chloro-6-methoxy-3-pyridinyl)methyl]pyrazolo[4,3-c]pyridin-4-yl]amino]methyl]isoquinolin-1-amine
CID 118482158
6-[[[2-[[6-(oxan-4-yloxy)-3-pyridinyl]methyl]pyrazolo[4,3-c]pyridin-4-yl]amino]methyl]isoquinolin-1-amine
CID 118482127
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
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-(methylaminomethyl)isoquinolin-1-amine
CID 139340899
N-(2-methylpropyl)-2-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]pyrazolo[4,3-c]pyridin-4-amine
CID 150031182
6-[(benzylamino)methyl]isoquinolin-1-amine
CID 53322817

Frequently Asked Questions

What is the IUPAC name of 6-[[[2-[(4-pyridin-3-yloxyphenyl)methyl]pyrazolo[4,3-c]pyridin-4-yl]amino]methyl]isoquinolin-1-amine?
The IUPAC name of 6-[[[2-[(4-pyridin-3-yloxyphenyl)methyl]pyrazolo[4,3-c]pyridin-4-yl]amino]methyl]isoquinolin-1-amine (CID 118489030) is 6-[[[2-[(4-pyridin-3-yloxyphenyl)methyl]pyrazolo[4,3-c]pyridin-4-yl]amino]methyl]isoquinolin-1-amine.
What is the SMILES notation for 6-[[[2-[(4-pyridin-3-yloxyphenyl)methyl]pyrazolo[4,3-c]pyridin-4-yl]amino]methyl]isoquinolin-1-amine?
The canonical SMILES for 6-[[[2-[(4-pyridin-3-yloxyphenyl)methyl]pyrazolo[4,3-c]pyridin-4-yl]amino]methyl]isoquinolin-1-amine is Nc1nccc2cc(CNc3nccc4nn(Cc5ccc(Oc6cccnc6)cc5)cc34)ccc12.
What is the InChIKey of 6-[[[2-[(4-pyridin-3-yloxyphenyl)methyl]pyrazolo[4,3-c]pyridin-4-yl]amino]methyl]isoquinolin-1-amine?
The InChIKey is GGASLMSARWTGOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H23N7O/c29-27-24-8-5-20(14-21(24)9-12-31-27)15-33-28-25-18-35(34-26(25)10-13-32-28)17-19-3-6-22(7-4-19)36-23-2-1-11-30-16-23/h1-14,16,18H,15,17H2,(H2,29,31)(H,32,33).
What are the key properties of 6-[[[2-[(4-pyridin-3-yloxyphenyl)methyl]pyrazolo[4,3-c]pyridin-4-yl]amino]methyl]isoquinolin-1-amine?
6-[[[2-[(4-pyridin-3-yloxyphenyl)methyl]pyrazolo[4,3-c]pyridin-4-yl]amino]methyl]isoquinolin-1-amine has a molecular weight of 473.54 g/mol, XLogP of 5.41, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[[2-[(4-pyridin-3-yloxyphenyl)methyl]pyrazolo[4,3-c]pyridin-4-yl]amino]methyl]isoquinolin-1-amine is sourced from PubChem (CID 118489030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).