1-(2-methylpiperidin-1-yl)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine

C21H22N6 — CID 134191675

IUPAC1-(2-methylpiperidin-1-yl)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine
SMILESCC1CCCCN1c1nccc2cc(Nc3n[nH]c4cccnc34)ccc12
InChIInChI=1S/C21H22N6/c1-14-5-2-3-12-27(14)21-17-8-7-16(13-15(17)9-11-23-21)24-20-19-18(25-26-20)6-4-10-22-19/h4,6-11,13-14H,2-3,5,12H2,1H3,(H2,24,25,26)
InChIKeyOUULNBWHNFBRAJ-UHFFFAOYSA-N
MW358.45 g/mol
LogP4.63
Rot. Bonds3

About 1-(2-methylpiperidin-1-yl)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine

1-(2-methylpiperidin-1-yl)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine (PubChem CID 134191675) has the molecular formula C21H22N6 and a molecular weight of 358.45 g/mol. Its IUPAC name is 1-(2-methylpiperidin-1-yl)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine.

Molecular Properties

Compound Name1-(2-methylpiperidin-1-yl)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine
PubChem CID134191675
Molecular FormulaC21H22N6
Molecular Weight358.45 g/mol
Exact Mass358.19
IUPAC Name1-(2-methylpiperidin-1-yl)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine
SMILESCC1CCCCN1c1nccc2cc(Nc3n[nH]c4cccnc34)ccc12
InChIInChI=1S/C21H22N6/c1-14-5-2-3-12-27(14)21-17-8-7-16(13-15(17)9-11-23-21)24-20-19-18(25-26-20)6-4-10-22-19/h4,6-11,13-14H,2-3,5,12H2,1H3,(H2,24,25,26)
InChIKeyOUULNBWHNFBRAJ-UHFFFAOYSA-N
XLogP4.63
TPSA69.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.45
LogP ≤ 54.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methylpiperidin-1-yl)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine?
The IUPAC name of 1-(2-methylpiperidin-1-yl)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine (CID 134191675) is 1-(2-methylpiperidin-1-yl)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine.
What is the SMILES notation for 1-(2-methylpiperidin-1-yl)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine?
The canonical SMILES for 1-(2-methylpiperidin-1-yl)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine is CC1CCCCN1c1nccc2cc(Nc3n[nH]c4cccnc34)ccc12.
What is the InChIKey of 1-(2-methylpiperidin-1-yl)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine?
The InChIKey is OUULNBWHNFBRAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N6/c1-14-5-2-3-12-27(14)21-17-8-7-16(13-15(17)9-11-23-21)24-20-19-18(25-26-20)6-4-10-22-19/h4,6-11,13-14H,2-3,5,12H2,1H3,(H2,24,25,26).
What are the key properties of 1-(2-methylpiperidin-1-yl)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine?
1-(2-methylpiperidin-1-yl)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine has a molecular weight of 358.45 g/mol, XLogP of 4.63, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylpiperidin-1-yl)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine is sourced from PubChem (CID 134191675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).