N-(1-cyclopropylsulfonylpiperidin-4-yl)-6-(3-fluorophenyl)isoquinolin-8-amine

C23H24FN3O2S — CID 59534716

IUPACN-(1-cyclopropylsulfonylpiperidin-4-yl)-6-(3-fluorophenyl)isoquinolin-8-amine
SMILESO=S(=O)(C1CC1)N1CCC(Nc2cc(-c3cccc(F)c3)cc3ccncc23)CC1
InChIInChI=1S/C23H24FN3O2S/c24-19-3-1-2-16(13-19)18-12-17-6-9-25-15-22(17)23(14-18)26-20-7-10-27(11-8-20)30(28,29)21-4-5-21/h1-3,6,9,12-15,20-21,26H,4-5,7-8,10-11H2
InChIKeyRVKKARPDFCDSIE-UHFFFAOYSA-N
MW425.53 g/mol
LogP4.41
Rot. Bonds5

About N-(1-cyclopropylsulfonylpiperidin-4-yl)-6-(3-fluorophenyl)isoquinolin-8-amine

N-(1-cyclopropylsulfonylpiperidin-4-yl)-6-(3-fluorophenyl)isoquinolin-8-amine (PubChem CID 59534716) has the molecular formula C23H24FN3O2S and a molecular weight of 425.53 g/mol. Its IUPAC name is N-(1-cyclopropylsulfonylpiperidin-4-yl)-6-(3-fluorophenyl)isoquinolin-8-amine.

Molecular Properties

Compound NameN-(1-cyclopropylsulfonylpiperidin-4-yl)-6-(3-fluorophenyl)isoquinolin-8-amine
PubChem CID59534716
Molecular FormulaC23H24FN3O2S
Molecular Weight425.53 g/mol
Exact Mass425.16
IUPAC NameN-(1-cyclopropylsulfonylpiperidin-4-yl)-6-(3-fluorophenyl)isoquinolin-8-amine
SMILESO=S(=O)(C1CC1)N1CCC(Nc2cc(-c3cccc(F)c3)cc3ccncc23)CC1
InChIInChI=1S/C23H24FN3O2S/c24-19-3-1-2-16(13-19)18-12-17-6-9-25-15-22(17)23(14-18)26-20-7-10-27(11-8-20)30(28,29)21-4-5-21/h1-3,6,9,12-15,20-21,26H,4-5,7-8,10-11H2
InChIKeyRVKKARPDFCDSIE-UHFFFAOYSA-N
XLogP4.41
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.53
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1-cyclopropylsulfonylpiperidin-4-yl)-6-(3-fluorophenyl)isoquinolin-8-amine?
The IUPAC name of N-(1-cyclopropylsulfonylpiperidin-4-yl)-6-(3-fluorophenyl)isoquinolin-8-amine (CID 59534716) is N-(1-cyclopropylsulfonylpiperidin-4-yl)-6-(3-fluorophenyl)isoquinolin-8-amine.
What is the SMILES notation for N-(1-cyclopropylsulfonylpiperidin-4-yl)-6-(3-fluorophenyl)isoquinolin-8-amine?
The canonical SMILES for N-(1-cyclopropylsulfonylpiperidin-4-yl)-6-(3-fluorophenyl)isoquinolin-8-amine is O=S(=O)(C1CC1)N1CCC(Nc2cc(-c3cccc(F)c3)cc3ccncc23)CC1.
What is the InChIKey of N-(1-cyclopropylsulfonylpiperidin-4-yl)-6-(3-fluorophenyl)isoquinolin-8-amine?
The InChIKey is RVKKARPDFCDSIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24FN3O2S/c24-19-3-1-2-16(13-19)18-12-17-6-9-25-15-22(17)23(14-18)26-20-7-10-27(11-8-20)30(28,29)21-4-5-21/h1-3,6,9,12-15,20-21,26H,4-5,7-8,10-11H2.
What are the key properties of N-(1-cyclopropylsulfonylpiperidin-4-yl)-6-(3-fluorophenyl)isoquinolin-8-amine?
N-(1-cyclopropylsulfonylpiperidin-4-yl)-6-(3-fluorophenyl)isoquinolin-8-amine has a molecular weight of 425.53 g/mol, XLogP of 4.41, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclopropylsulfonylpiperidin-4-yl)-6-(3-fluorophenyl)isoquinolin-8-amine is sourced from PubChem (CID 59534716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).