6-(1-ethylindazol-5-yl)-N-(1-methylsulfonylpiperidin-4-yl)isoquinolin-8-amine

C24H27N5O2S — CID 59534844

IUPAC6-(1-ethylindazol-5-yl)-N-(1-methylsulfonylpiperidin-4-yl)isoquinolin-8-amine
SMILESCCn1ncc2cc(-c3cc(NC4CCN(S(C)(=O)=O)CC4)c4cnccc4c3)ccc21
InChIInChI=1S/C24H27N5O2S/c1-3-29-24-5-4-17(12-20(24)15-26-29)19-13-18-6-9-25-16-22(18)23(14-19)27-21-7-10-28(11-8-21)32(2,30)31/h4-6,9,12-16,21,27H,3,7-8,10-11H2,1-2H3
InChIKeyCHCLIXPMTXKTIS-UHFFFAOYSA-N
MW449.58 g/mol
LogP4.11
Rot. Bonds5

About 6-(1-ethylindazol-5-yl)-N-(1-methylsulfonylpiperidin-4-yl)isoquinolin-8-amine

6-(1-ethylindazol-5-yl)-N-(1-methylsulfonylpiperidin-4-yl)isoquinolin-8-amine (PubChem CID 59534844) has the molecular formula C24H27N5O2S and a molecular weight of 449.58 g/mol. Its IUPAC name is 6-(1-ethylindazol-5-yl)-N-(1-methylsulfonylpiperidin-4-yl)isoquinolin-8-amine.

Molecular Properties

Compound Name6-(1-ethylindazol-5-yl)-N-(1-methylsulfonylpiperidin-4-yl)isoquinolin-8-amine
PubChem CID59534844
Molecular FormulaC24H27N5O2S
Molecular Weight449.58 g/mol
Exact Mass449.19
IUPAC Name6-(1-ethylindazol-5-yl)-N-(1-methylsulfonylpiperidin-4-yl)isoquinolin-8-amine
SMILESCCn1ncc2cc(-c3cc(NC4CCN(S(C)(=O)=O)CC4)c4cnccc4c3)ccc21
InChIInChI=1S/C24H27N5O2S/c1-3-29-24-5-4-17(12-20(24)15-26-29)19-13-18-6-9-25-16-22(18)23(14-19)27-21-7-10-28(11-8-21)32(2,30)31/h4-6,9,12-16,21,27H,3,7-8,10-11H2,1-2H3
InChIKeyCHCLIXPMTXKTIS-UHFFFAOYSA-N
XLogP4.11
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 ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

PI5P4Kalpha-IN-1
CID 155524400
7-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-N-[2-(3-methylphenyl)-4-pyridinyl]quinolin-4-amine
CID 164610927
7-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-N-[2-(2-methylphenyl)-4-pyridinyl]quinolin-4-amine
CID 164618451
7-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-N-[2-(2-fluorophenyl)-4-pyridinyl]quinolin-4-amine
CID 164621330
7-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-N-[2-(3-fluorophenyl)-4-pyridinyl]quinolin-4-amine
CID 164623515
7-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-N-(2-phenyl-4-pyridinyl)quinolin-4-amine
CID 164628562
N-[3-(1H-indol-4-yl)-5-pyridin-4-ylphenyl]methanesulfonamide
CID 25263021
4-[6-[4-(1-Piperazinyl)phenyl]pyrazolo[1,5-a]pyridin-3-yl]quinoline
CID 44223297
2-[4-[4-(1-Methylpyrazol-4-yl)phenyl]isoquinolin-6-yl]-1,2-thiazolidine 1,1-dioxide
CID 118660623
4-Benzyl-7-(1-piperidin-4-ylpyrazol-4-yl)quinoline
CID 137642817
2-Methylellipticinium methanesulfonate
CID 24199985
N-(4-(2,7-phenanthrolin-9-yl)phenyl)methanesulfonamide
CID 44444019

Frequently Asked Questions

What is the IUPAC name of 6-(1-ethylindazol-5-yl)-N-(1-methylsulfonylpiperidin-4-yl)isoquinolin-8-amine?
The IUPAC name of 6-(1-ethylindazol-5-yl)-N-(1-methylsulfonylpiperidin-4-yl)isoquinolin-8-amine (CID 59534844) is 6-(1-ethylindazol-5-yl)-N-(1-methylsulfonylpiperidin-4-yl)isoquinolin-8-amine.
What is the SMILES notation for 6-(1-ethylindazol-5-yl)-N-(1-methylsulfonylpiperidin-4-yl)isoquinolin-8-amine?
The canonical SMILES for 6-(1-ethylindazol-5-yl)-N-(1-methylsulfonylpiperidin-4-yl)isoquinolin-8-amine is CCn1ncc2cc(-c3cc(NC4CCN(S(C)(=O)=O)CC4)c4cnccc4c3)ccc21.
What is the InChIKey of 6-(1-ethylindazol-5-yl)-N-(1-methylsulfonylpiperidin-4-yl)isoquinolin-8-amine?
The InChIKey is CHCLIXPMTXKTIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N5O2S/c1-3-29-24-5-4-17(12-20(24)15-26-29)19-13-18-6-9-25-16-22(18)23(14-19)27-21-7-10-28(11-8-21)32(2,30)31/h4-6,9,12-16,21,27H,3,7-8,10-11H2,1-2H3.
What are the key properties of 6-(1-ethylindazol-5-yl)-N-(1-methylsulfonylpiperidin-4-yl)isoquinolin-8-amine?
6-(1-ethylindazol-5-yl)-N-(1-methylsulfonylpiperidin-4-yl)isoquinolin-8-amine has a molecular weight of 449.58 g/mol, XLogP of 4.11, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-ethylindazol-5-yl)-N-(1-methylsulfonylpiperidin-4-yl)isoquinolin-8-amine is sourced from PubChem (CID 59534844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).