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

C17H15N5 — CID 134191605

IUPAC1-ethyl-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine
SMILESCCc1nccc2cc(Nc3n[nH]c4cccnc34)ccc12
InChIInChI=1S/C17H15N5/c1-2-14-13-6-5-12(10-11(13)7-9-18-14)20-17-16-15(21-22-17)4-3-8-19-16/h3-10H,2H2,1H3,(H2,20,21,22)
InChIKeyLWNMUAQSSXQMHE-UHFFFAOYSA-N
MW289.34 g/mol
LogP3.81
Rot. Bonds3

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

1-ethyl-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine (PubChem CID 134191605) has the molecular formula C17H15N5 and a molecular weight of 289.34 g/mol. Its IUPAC name is 1-ethyl-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine.

Molecular Properties

Compound Name1-ethyl-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine
PubChem CID134191605
Molecular FormulaC17H15N5
Molecular Weight289.34 g/mol
Exact Mass289.13
IUPAC Name1-ethyl-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine
SMILESCCc1nccc2cc(Nc3n[nH]c4cccnc34)ccc12
InChIInChI=1S/C17H15N5/c1-2-14-13-6-5-12(10-11(13)7-9-18-14)20-17-16-15(21-22-17)4-3-8-19-16/h3-10H,2H2,1H3,(H2,20,21,22)
InChIKeyLWNMUAQSSXQMHE-UHFFFAOYSA-N
XLogP3.81
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.34
LogP ≤ 53.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine?
The IUPAC name of 1-ethyl-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine (CID 134191605) is 1-ethyl-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine.
What is the SMILES notation for 1-ethyl-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine?
The canonical SMILES for 1-ethyl-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine is CCc1nccc2cc(Nc3n[nH]c4cccnc34)ccc12.
What is the InChIKey of 1-ethyl-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine?
The InChIKey is LWNMUAQSSXQMHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N5/c1-2-14-13-6-5-12(10-11(13)7-9-18-14)20-17-16-15(21-22-17)4-3-8-19-16/h3-10H,2H2,1H3,(H2,20,21,22).
What are the key properties of 1-ethyl-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine?
1-ethyl-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine has a molecular weight of 289.34 g/mol, XLogP of 3.81, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine is sourced from PubChem (CID 134191605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).