6-(1-methylpyrazol-4-yl)-N-(1-methylsulfonylpiperidin-4-yl)isoquinolin-8-amine

C19H23N5O2S — CID 59534850

IUPAC6-(1-methylpyrazol-4-yl)-N-(1-methylsulfonylpiperidin-4-yl)isoquinolin-8-amine
SMILESCn1cc(-c2cc(NC3CCN(S(C)(=O)=O)CC3)c3cnccc3c2)cn1
InChIInChI=1S/C19H23N5O2S/c1-23-13-16(11-21-23)15-9-14-3-6-20-12-18(14)19(10-15)22-17-4-7-24(8-5-17)27(2,25)26/h3,6,9-13,17,22H,4-5,7-8H2,1-2H3
InChIKeyAJXOJELWKVBRDT-UHFFFAOYSA-N
MW385.49 g/mol
LogP2.47
Rot. Bonds4

About 6-(1-methylpyrazol-4-yl)-N-(1-methylsulfonylpiperidin-4-yl)isoquinolin-8-amine

6-(1-methylpyrazol-4-yl)-N-(1-methylsulfonylpiperidin-4-yl)isoquinolin-8-amine (PubChem CID 59534850) has the molecular formula C19H23N5O2S and a molecular weight of 385.49 g/mol. Its IUPAC name is 6-(1-methylpyrazol-4-yl)-N-(1-methylsulfonylpiperidin-4-yl)isoquinolin-8-amine.

Molecular Properties

Compound Name6-(1-methylpyrazol-4-yl)-N-(1-methylsulfonylpiperidin-4-yl)isoquinolin-8-amine
PubChem CID59534850
Molecular FormulaC19H23N5O2S
Molecular Weight385.49 g/mol
Exact Mass385.16
IUPAC Name6-(1-methylpyrazol-4-yl)-N-(1-methylsulfonylpiperidin-4-yl)isoquinolin-8-amine
SMILESCn1cc(-c2cc(NC3CCN(S(C)(=O)=O)CC3)c3cnccc3c2)cn1
InChIInChI=1S/C19H23N5O2S/c1-23-13-16(11-21-23)15-9-14-3-6-20-12-18(14)19(10-15)22-17-4-7-24(8-5-17)27(2,25)26/h3,6,9-13,17,22H,4-5,7-8H2,1-2H3
InChIKeyAJXOJELWKVBRDT-UHFFFAOYSA-N
XLogP2.47
TPSA80.12 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.49
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(1-methylpyrazol-4-yl)-N-(1-methylsulfonylpiperidin-4-yl)isoquinolin-8-amine?
The IUPAC name of 6-(1-methylpyrazol-4-yl)-N-(1-methylsulfonylpiperidin-4-yl)isoquinolin-8-amine (CID 59534850) is 6-(1-methylpyrazol-4-yl)-N-(1-methylsulfonylpiperidin-4-yl)isoquinolin-8-amine.
What is the SMILES notation for 6-(1-methylpyrazol-4-yl)-N-(1-methylsulfonylpiperidin-4-yl)isoquinolin-8-amine?
The canonical SMILES for 6-(1-methylpyrazol-4-yl)-N-(1-methylsulfonylpiperidin-4-yl)isoquinolin-8-amine is Cn1cc(-c2cc(NC3CCN(S(C)(=O)=O)CC3)c3cnccc3c2)cn1.
What is the InChIKey of 6-(1-methylpyrazol-4-yl)-N-(1-methylsulfonylpiperidin-4-yl)isoquinolin-8-amine?
The InChIKey is AJXOJELWKVBRDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5O2S/c1-23-13-16(11-21-23)15-9-14-3-6-20-12-18(14)19(10-15)22-17-4-7-24(8-5-17)27(2,25)26/h3,6,9-13,17,22H,4-5,7-8H2,1-2H3.
What are the key properties of 6-(1-methylpyrazol-4-yl)-N-(1-methylsulfonylpiperidin-4-yl)isoquinolin-8-amine?
6-(1-methylpyrazol-4-yl)-N-(1-methylsulfonylpiperidin-4-yl)isoquinolin-8-amine has a molecular weight of 385.49 g/mol, XLogP of 2.47, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-methylpyrazol-4-yl)-N-(1-methylsulfonylpiperidin-4-yl)isoquinolin-8-amine is sourced from PubChem (CID 59534850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).