N-(1-ethylsulfonylpiperidin-4-yl)-6-(1-methylindazol-6-yl)isoquinolin-8-amine

C24H27N5O2S — CID 59535263

IUPACN-(1-ethylsulfonylpiperidin-4-yl)-6-(1-methylindazol-6-yl)isoquinolin-8-amine
SMILESCCS(=O)(=O)N1CCC(Nc2cc(-c3ccc4cnn(C)c4c3)cc3ccncc23)CC1
InChIInChI=1S/C24H27N5O2S/c1-3-32(30,31)29-10-7-21(8-11-29)27-23-13-20(12-18-6-9-25-16-22(18)23)17-4-5-19-15-26-28(2)24(19)14-17/h4-6,9,12-16,21,27H,3,7-8,10-11H2,1-2H3
InChIKeyUKKLJZGCKUYOOI-UHFFFAOYSA-N
MW449.58 g/mol
LogP4.01
Rot. Bonds5

About N-(1-ethylsulfonylpiperidin-4-yl)-6-(1-methylindazol-6-yl)isoquinolin-8-amine

N-(1-ethylsulfonylpiperidin-4-yl)-6-(1-methylindazol-6-yl)isoquinolin-8-amine (PubChem CID 59535263) has the molecular formula C24H27N5O2S and a molecular weight of 449.58 g/mol. Its IUPAC name is N-(1-ethylsulfonylpiperidin-4-yl)-6-(1-methylindazol-6-yl)isoquinolin-8-amine.

Molecular Properties

Compound NameN-(1-ethylsulfonylpiperidin-4-yl)-6-(1-methylindazol-6-yl)isoquinolin-8-amine
PubChem CID59535263
Molecular FormulaC24H27N5O2S
Molecular Weight449.58 g/mol
Exact Mass449.19
IUPAC NameN-(1-ethylsulfonylpiperidin-4-yl)-6-(1-methylindazol-6-yl)isoquinolin-8-amine
SMILESCCS(=O)(=O)N1CCC(Nc2cc(-c3ccc4cnn(C)c4c3)cc3ccncc23)CC1
InChIInChI=1S/C24H27N5O2S/c1-3-32(30,31)29-10-7-21(8-11-29)27-23-13-20(12-18-6-9-25-16-22(18)23)17-4-5-19-15-26-28(2)24(19)14-17/h4-6,9,12-16,21,27H,3,7-8,10-11H2,1-2H3
InChIKeyUKKLJZGCKUYOOI-UHFFFAOYSA-N
XLogP4.01
TPSA80.12 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.58
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(1-ethylsulfonylpiperidin-4-yl)-6-(1-methylindazol-6-yl)isoquinolin-8-amine?
The IUPAC name of N-(1-ethylsulfonylpiperidin-4-yl)-6-(1-methylindazol-6-yl)isoquinolin-8-amine (CID 59535263) is N-(1-ethylsulfonylpiperidin-4-yl)-6-(1-methylindazol-6-yl)isoquinolin-8-amine.
What is the SMILES notation for N-(1-ethylsulfonylpiperidin-4-yl)-6-(1-methylindazol-6-yl)isoquinolin-8-amine?
The canonical SMILES for N-(1-ethylsulfonylpiperidin-4-yl)-6-(1-methylindazol-6-yl)isoquinolin-8-amine is CCS(=O)(=O)N1CCC(Nc2cc(-c3ccc4cnn(C)c4c3)cc3ccncc23)CC1.
What is the InChIKey of N-(1-ethylsulfonylpiperidin-4-yl)-6-(1-methylindazol-6-yl)isoquinolin-8-amine?
The InChIKey is UKKLJZGCKUYOOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N5O2S/c1-3-32(30,31)29-10-7-21(8-11-29)27-23-13-20(12-18-6-9-25-16-22(18)23)17-4-5-19-15-26-28(2)24(19)14-17/h4-6,9,12-16,21,27H,3,7-8,10-11H2,1-2H3.
What are the key properties of N-(1-ethylsulfonylpiperidin-4-yl)-6-(1-methylindazol-6-yl)isoquinolin-8-amine?
N-(1-ethylsulfonylpiperidin-4-yl)-6-(1-methylindazol-6-yl)isoquinolin-8-amine has a molecular weight of 449.58 g/mol, XLogP of 4.01, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-ethylsulfonylpiperidin-4-yl)-6-(1-methylindazol-6-yl)isoquinolin-8-amine is sourced from PubChem (CID 59535263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).