N-(1-cyclobutylsulfonylpiperidin-4-yl)-6-(6-methyl-3-pyridinyl)isoquinolin-8-amine

C24H28N4O2S — CID 59535146

IUPACN-(1-cyclobutylsulfonylpiperidin-4-yl)-6-(6-methyl-3-pyridinyl)isoquinolin-8-amine
SMILESCc1ccc(-c2cc(NC3CCN(S(=O)(=O)C4CCC4)CC3)c3cnccc3c2)cn1
InChIInChI=1S/C24H28N4O2S/c1-17-5-6-19(15-26-17)20-13-18-7-10-25-16-23(18)24(14-20)27-21-8-11-28(12-9-21)31(29,30)22-3-2-4-22/h5-7,10,13-16,21-22,27H,2-4,8-9,11-12H2,1H3
InChIKeyIVWHAAFXTWXERS-UHFFFAOYSA-N
MW436.58 g/mol
LogP4.36
Rot. Bonds5

About N-(1-cyclobutylsulfonylpiperidin-4-yl)-6-(6-methyl-3-pyridinyl)isoquinolin-8-amine

N-(1-cyclobutylsulfonylpiperidin-4-yl)-6-(6-methyl-3-pyridinyl)isoquinolin-8-amine (PubChem CID 59535146) has the molecular formula C24H28N4O2S and a molecular weight of 436.58 g/mol. Its IUPAC name is N-(1-cyclobutylsulfonylpiperidin-4-yl)-6-(6-methyl-3-pyridinyl)isoquinolin-8-amine.

Molecular Properties

Compound NameN-(1-cyclobutylsulfonylpiperidin-4-yl)-6-(6-methyl-3-pyridinyl)isoquinolin-8-amine
PubChem CID59535146
Molecular FormulaC24H28N4O2S
Molecular Weight436.58 g/mol
Exact Mass436.19
IUPAC NameN-(1-cyclobutylsulfonylpiperidin-4-yl)-6-(6-methyl-3-pyridinyl)isoquinolin-8-amine
SMILESCc1ccc(-c2cc(NC3CCN(S(=O)(=O)C4CCC4)CC3)c3cnccc3c2)cn1
InChIInChI=1S/C24H28N4O2S/c1-17-5-6-19(15-26-17)20-13-18-7-10-25-16-23(18)24(14-20)27-21-8-11-28(12-9-21)31(29,30)22-3-2-4-22/h5-7,10,13-16,21-22,27H,2-4,8-9,11-12H2,1H3
InChIKeyIVWHAAFXTWXERS-UHFFFAOYSA-N
XLogP4.36
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.58
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(1-cyclobutylsulfonylpiperidin-4-yl)-6-(6-methyl-3-pyridinyl)isoquinolin-8-amine?
The IUPAC name of N-(1-cyclobutylsulfonylpiperidin-4-yl)-6-(6-methyl-3-pyridinyl)isoquinolin-8-amine (CID 59535146) is N-(1-cyclobutylsulfonylpiperidin-4-yl)-6-(6-methyl-3-pyridinyl)isoquinolin-8-amine.
What is the SMILES notation for N-(1-cyclobutylsulfonylpiperidin-4-yl)-6-(6-methyl-3-pyridinyl)isoquinolin-8-amine?
The canonical SMILES for N-(1-cyclobutylsulfonylpiperidin-4-yl)-6-(6-methyl-3-pyridinyl)isoquinolin-8-amine is Cc1ccc(-c2cc(NC3CCN(S(=O)(=O)C4CCC4)CC3)c3cnccc3c2)cn1.
What is the InChIKey of N-(1-cyclobutylsulfonylpiperidin-4-yl)-6-(6-methyl-3-pyridinyl)isoquinolin-8-amine?
The InChIKey is IVWHAAFXTWXERS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O2S/c1-17-5-6-19(15-26-17)20-13-18-7-10-25-16-23(18)24(14-20)27-21-8-11-28(12-9-21)31(29,30)22-3-2-4-22/h5-7,10,13-16,21-22,27H,2-4,8-9,11-12H2,1H3.
What are the key properties of N-(1-cyclobutylsulfonylpiperidin-4-yl)-6-(6-methyl-3-pyridinyl)isoquinolin-8-amine?
N-(1-cyclobutylsulfonylpiperidin-4-yl)-6-(6-methyl-3-pyridinyl)isoquinolin-8-amine has a molecular weight of 436.58 g/mol, XLogP of 4.36, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclobutylsulfonylpiperidin-4-yl)-6-(6-methyl-3-pyridinyl)isoquinolin-8-amine is sourced from PubChem (CID 59535146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).