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

C20H20N6 — CID 134191681

IUPAC1-piperidin-1-yl-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine
SMILESc1cnc2c(Nc3ccc4c(N5CCCCC5)nccc4c3)n[nH]c2c1
InChIInChI=1S/C20H20N6/c1-2-11-26(12-3-1)20-16-7-6-15(13-14(16)8-10-22-20)23-19-18-17(24-25-19)5-4-9-21-18/h4-10,13H,1-3,11-12H2,(H2,23,24,25)
InChIKeyGGYXNEFKIIDDMJ-UHFFFAOYSA-N
MW344.42 g/mol
LogP4.24
Rot. Bonds3

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

1-piperidin-1-yl-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine (PubChem CID 134191681) has the molecular formula C20H20N6 and a molecular weight of 344.42 g/mol. Its IUPAC name is 1-piperidin-1-yl-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine.

Molecular Properties

Compound Name1-piperidin-1-yl-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine
PubChem CID134191681
Molecular FormulaC20H20N6
Molecular Weight344.42 g/mol
Exact Mass344.17
IUPAC Name1-piperidin-1-yl-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine
SMILESc1cnc2c(Nc3ccc4c(N5CCCCC5)nccc4c3)n[nH]c2c1
InChIInChI=1S/C20H20N6/c1-2-11-26(12-3-1)20-16-7-6-15(13-14(16)8-10-22-20)23-19-18-17(24-25-19)5-4-9-21-18/h4-10,13H,1-3,11-12H2,(H2,23,24,25)
InChIKeyGGYXNEFKIIDDMJ-UHFFFAOYSA-N
XLogP4.24
TPSA69.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.42
LogP ≤ 54.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-piperidin-1-yl-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine?
The IUPAC name of 1-piperidin-1-yl-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine (CID 134191681) is 1-piperidin-1-yl-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine.
What is the SMILES notation for 1-piperidin-1-yl-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine?
The canonical SMILES for 1-piperidin-1-yl-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine is c1cnc2c(Nc3ccc4c(N5CCCCC5)nccc4c3)n[nH]c2c1.
What is the InChIKey of 1-piperidin-1-yl-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine?
The InChIKey is GGYXNEFKIIDDMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N6/c1-2-11-26(12-3-1)20-16-7-6-15(13-14(16)8-10-22-20)23-19-18-17(24-25-19)5-4-9-21-18/h4-10,13H,1-3,11-12H2,(H2,23,24,25).
What are the key properties of 1-piperidin-1-yl-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine?
1-piperidin-1-yl-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine has a molecular weight of 344.42 g/mol, XLogP of 4.24, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-piperidin-1-yl-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine is sourced from PubChem (CID 134191681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).