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

C21H22N6 — CID 134191680

IUPAC1-(4-methylpiperidin-1-yl)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine
SMILESCC1CCN(c2nccc3cc(Nc4n[nH]c5cccnc45)ccc23)CC1
InChIInChI=1S/C21H22N6/c1-14-7-11-27(12-8-14)21-17-5-4-16(13-15(17)6-10-23-21)24-20-19-18(25-26-20)3-2-9-22-19/h2-6,9-10,13-14H,7-8,11-12H2,1H3,(H2,24,25,26)
InChIKeyWXJJEKLATMBOEE-UHFFFAOYSA-N
MW358.45 g/mol
LogP4.49
Rot. Bonds3

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

1-(4-methylpiperidin-1-yl)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine (PubChem CID 134191680) has the molecular formula C21H22N6 and a molecular weight of 358.45 g/mol. Its IUPAC name is 1-(4-methylpiperidin-1-yl)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine.

Molecular Properties

Compound Name1-(4-methylpiperidin-1-yl)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine
PubChem CID134191680
Molecular FormulaC21H22N6
Molecular Weight358.45 g/mol
Exact Mass358.19
IUPAC Name1-(4-methylpiperidin-1-yl)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine
SMILESCC1CCN(c2nccc3cc(Nc4n[nH]c5cccnc45)ccc23)CC1
InChIInChI=1S/C21H22N6/c1-14-7-11-27(12-8-14)21-17-5-4-16(13-15(17)6-10-23-21)24-20-19-18(25-26-20)3-2-9-22-19/h2-6,9-10,13-14H,7-8,11-12H2,1H3,(H2,24,25,26)
InChIKeyWXJJEKLATMBOEE-UHFFFAOYSA-N
XLogP4.49
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 ≤ 54.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methylpiperidin-1-yl)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine?
The IUPAC name of 1-(4-methylpiperidin-1-yl)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine (CID 134191680) is 1-(4-methylpiperidin-1-yl)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine.
What is the SMILES notation for 1-(4-methylpiperidin-1-yl)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine?
The canonical SMILES for 1-(4-methylpiperidin-1-yl)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine is CC1CCN(c2nccc3cc(Nc4n[nH]c5cccnc45)ccc23)CC1.
What is the InChIKey of 1-(4-methylpiperidin-1-yl)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine?
The InChIKey is WXJJEKLATMBOEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N6/c1-14-7-11-27(12-8-14)21-17-5-4-16(13-15(17)6-10-23-21)24-20-19-18(25-26-20)3-2-9-22-19/h2-6,9-10,13-14H,7-8,11-12H2,1H3,(H2,24,25,26).
What are the key properties of 1-(4-methylpiperidin-1-yl)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine?
1-(4-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 4.49, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylpiperidin-1-yl)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine is sourced from PubChem (CID 134191680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).