6-[[[1-[(4-pyridin-2-yloxyphenyl)methyl]pyrazolo[4,5-c]pyridin-4-yl]amino]methyl]isoquinolin-1-amine

C28H23N7O — CID 118482122

IUPAC6-[[[1-[(4-pyridin-2-yloxyphenyl)methyl]pyrazolo[4,5-c]pyridin-4-yl]amino]methyl]isoquinolin-1-amine
SMILESNc1nccc2cc(CNc3nccc4c3cnn4Cc3ccc(Oc4ccccn4)cc3)ccc12
InChIInChI=1S/C28H23N7O/c29-27-23-9-6-20(15-21(23)10-13-31-27)16-33-28-24-17-34-35(25(24)11-14-32-28)18-19-4-7-22(8-5-19)36-26-3-1-2-12-30-26/h1-15,17H,16,18H2,(H2,29,31)(H,32,33)
InChIKeyZAHUUFAICZOWRG-UHFFFAOYSA-N
MW473.54 g/mol
LogP5.41
Rot. Bonds7

About 6-[[[1-[(4-pyridin-2-yloxyphenyl)methyl]pyrazolo[4,5-c]pyridin-4-yl]amino]methyl]isoquinolin-1-amine

6-[[[1-[(4-pyridin-2-yloxyphenyl)methyl]pyrazolo[4,5-c]pyridin-4-yl]amino]methyl]isoquinolin-1-amine (PubChem CID 118482122) has the molecular formula C28H23N7O and a molecular weight of 473.54 g/mol. Its IUPAC name is 6-[[[1-[(4-pyridin-2-yloxyphenyl)methyl]pyrazolo[4,5-c]pyridin-4-yl]amino]methyl]isoquinolin-1-amine.

Molecular Properties

Compound Name6-[[[1-[(4-pyridin-2-yloxyphenyl)methyl]pyrazolo[4,5-c]pyridin-4-yl]amino]methyl]isoquinolin-1-amine
PubChem CID118482122
Molecular FormulaC28H23N7O
Molecular Weight473.54 g/mol
Exact Mass473.20
IUPAC Name6-[[[1-[(4-pyridin-2-yloxyphenyl)methyl]pyrazolo[4,5-c]pyridin-4-yl]amino]methyl]isoquinolin-1-amine
SMILESNc1nccc2cc(CNc3nccc4c3cnn4Cc3ccc(Oc4ccccn4)cc3)ccc12
InChIInChI=1S/C28H23N7O/c29-27-23-9-6-20(15-21(23)10-13-31-27)16-33-28-24-17-34-35(25(24)11-14-32-28)18-19-4-7-22(8-5-19)36-26-3-1-2-12-30-26/h1-15,17H,16,18H2,(H2,29,31)(H,32,33)
InChIKeyZAHUUFAICZOWRG-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

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Frequently Asked Questions

What is the IUPAC name of 6-[[[1-[(4-pyridin-2-yloxyphenyl)methyl]pyrazolo[4,5-c]pyridin-4-yl]amino]methyl]isoquinolin-1-amine?
The IUPAC name of 6-[[[1-[(4-pyridin-2-yloxyphenyl)methyl]pyrazolo[4,5-c]pyridin-4-yl]amino]methyl]isoquinolin-1-amine (CID 118482122) is 6-[[[1-[(4-pyridin-2-yloxyphenyl)methyl]pyrazolo[4,5-c]pyridin-4-yl]amino]methyl]isoquinolin-1-amine.
What is the SMILES notation for 6-[[[1-[(4-pyridin-2-yloxyphenyl)methyl]pyrazolo[4,5-c]pyridin-4-yl]amino]methyl]isoquinolin-1-amine?
The canonical SMILES for 6-[[[1-[(4-pyridin-2-yloxyphenyl)methyl]pyrazolo[4,5-c]pyridin-4-yl]amino]methyl]isoquinolin-1-amine is Nc1nccc2cc(CNc3nccc4c3cnn4Cc3ccc(Oc4ccccn4)cc3)ccc12.
What is the InChIKey of 6-[[[1-[(4-pyridin-2-yloxyphenyl)methyl]pyrazolo[4,5-c]pyridin-4-yl]amino]methyl]isoquinolin-1-amine?
The InChIKey is ZAHUUFAICZOWRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H23N7O/c29-27-23-9-6-20(15-21(23)10-13-31-27)16-33-28-24-17-34-35(25(24)11-14-32-28)18-19-4-7-22(8-5-19)36-26-3-1-2-12-30-26/h1-15,17H,16,18H2,(H2,29,31)(H,32,33).
What are the key properties of 6-[[[1-[(4-pyridin-2-yloxyphenyl)methyl]pyrazolo[4,5-c]pyridin-4-yl]amino]methyl]isoquinolin-1-amine?
6-[[[1-[(4-pyridin-2-yloxyphenyl)methyl]pyrazolo[4,5-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-[[[1-[(4-pyridin-2-yloxyphenyl)methyl]pyrazolo[4,5-c]pyridin-4-yl]amino]methyl]isoquinolin-1-amine is sourced from PubChem (CID 118482122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).