N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine

C15H11N5 — CID 134191536

IUPACN-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine
SMILESc1cnc2c(Nc3ccc4cnccc4c3)n[nH]c2c1
InChIInChI=1S/C15H11N5/c1-2-13-14(17-6-1)15(20-19-13)18-12-4-3-11-9-16-7-5-10(11)8-12/h1-9H,(H2,18,19,20)
InChIKeyOEWKDSKMXGOOPC-UHFFFAOYSA-N
MW261.29 g/mol
LogP3.25
Rot. Bonds2

About N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine

N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine (PubChem CID 134191536) has the molecular formula C15H11N5 and a molecular weight of 261.29 g/mol. Its IUPAC name is N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine.

Molecular Properties

Compound NameN-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine
PubChem CID134191536
Molecular FormulaC15H11N5
Molecular Weight261.29 g/mol
Exact Mass261.10
IUPAC NameN-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine
SMILESc1cnc2c(Nc3ccc4cnccc4c3)n[nH]c2c1
InChIInChI=1S/C15H11N5/c1-2-13-14(17-6-1)15(20-19-13)18-12-4-3-11-9-16-7-5-10(11)8-12/h1-9H,(H2,18,19,20)
InChIKeyOEWKDSKMXGOOPC-UHFFFAOYSA-N
XLogP3.25
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.29
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine?
The IUPAC name of N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine (CID 134191536) is N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine.
What is the SMILES notation for N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine?
The canonical SMILES for N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine is c1cnc2c(Nc3ccc4cnccc4c3)n[nH]c2c1.
What is the InChIKey of N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine?
The InChIKey is OEWKDSKMXGOOPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11N5/c1-2-13-14(17-6-1)15(20-19-13)18-12-4-3-11-9-16-7-5-10(11)8-12/h1-9H,(H2,18,19,20).
What are the key properties of N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine?
N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine has a molecular weight of 261.29 g/mol, XLogP of 3.25, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine is sourced from PubChem (CID 134191536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).