N-(1-ethylsulfonylpiperidin-4-yl)-6-(5-methyl-3-pyridinyl)isoquinolin-8-amine;6-(3-fluoro-4-pyridinyl)-N-(1-methylsulfonylpiperidin-4-yl)isoquinolin-8-amine;6-(5-fluoro-3-pyridinyl)-N-(1-methylsulfonylpiperidin-4-yl)isoquinolin-8-amine;4-[8-[(1-methylsulfonylpiperidin-4-yl)amino]isoquinolin-6-yl]pyridine-2-carbonitrile;N-(1-methylsulfonylpiperidin-4-yl)-6-(1-propylpyrazol-4-yl)isoquinolin-8-amine

C104H116F2N22O10S5 — CID 159273985

IUPACN-(1-ethylsulfonylpiperidin-4-yl)-6-(5-methyl-3-pyridinyl)isoquinolin-8-amine;6-(3-fluoro-4-pyridinyl)-N-(1-methylsulfonylpiperidin-4-yl)isoquinolin-8-amine;6-(5-fluoro-3-pyridinyl)-N-(1-methylsulfonylpiperidin-4-yl)isoquinolin-8-amine;4-[8-[(1-methylsulfonylpiperidin-4-yl)amino]isoquinolin-6-yl]pyridine-2-carbonitrile;N-(1-methylsulfonylpiperidin-4-yl)-6-(1-propylpyrazol-4-yl)isoquinolin-8-amine
SMILESCCCn1cc(-c2cc(NC3CCN(S(C)(=O)=O)CC3)c3cnccc3c2)cn1.CCS(=O)(=O)N1CCC(Nc2cc(-c3cncc(C)c3)cc3ccncc23)CC1.CS(=O)(=O)N1CCC(Nc2cc(-c3ccnc(C#N)c3)cc3ccncc23)CC1.CS(=O)(=O)N1CCC(Nc2cc(-c3ccncc3F)cc3ccncc23)CC1.CS(=O)(=O)N1CCC(Nc2cc(-c3cncc(F)c3)cc3ccncc23)CC1
InChIInChI=1S/C22H26N4O2S.C21H21N5O2S.C21H27N5O2S.2C20H21FN4O2S/c1-3-29(27,28)26-8-5-20(6-9-26)25-22-12-18(19-10-16(2)13-24-14-19)11-17-4-7-23-15-21(17)22;1-29(27,28)26-8-4-18(5-9-26)25-21-12-17(10-16-2-6-23-14-20(16)21)15-3-7-24-19(11-15)13-22;1-3-8-25-15-18(13-23-25)17-11-16-4-7-22-14-20(16)21(12-17)24-19-5-9-26(10-6-19)29(2,27)28;1-28(26,27)25-8-4-16(5-9-25)24-20-11-15(17-3-7-23-13-19(17)21)10-14-2-6-22-12-18(14)20;1-28(26,27)25-6-3-18(4-7-25)24-20-10-15(16-9-17(21)12-23-11-16)8-14-2-5-22-13-19(14)20/h4,7,10-15,20,25H,3,5-6,8-9H2,1-2H3;2-3,6-7,10-12,14,18,25H,4-5,8-9H2,1H3;4,7,11-15,19,24H,3,5-6,8-10H2,1-2H3;2-3,6-7,10-13,16,24H,4-5,8-9H2,1H3;2,5,8-13,18,24H,3-4,6-7H2,1H3
InChIKeyKYBKWMZIAPHQAG-UHFFFAOYSA-N
MW2032.55 g/mol
LogP16.72
Rot. Bonds23

About N-(1-ethylsulfonylpiperidin-4-yl)-6-(5-methyl-3-pyridinyl)isoquinolin-8-amine;6-(3-fluoro-4-pyridinyl)-N-(1-methylsulfonylpiperidin-4-yl)isoquinolin-8-amine;6-(5-fluoro-3-pyridinyl)-N-(1-methylsulfonylpiperidin-4-yl)isoquinolin-8-amine;4-[8-[(1-methylsulfonylpiperidin-4-yl)amino]isoquinolin-6-yl]pyridine-2-carbonitrile;N-(1-methylsulfonylpiperidin-4-yl)-6-(1-propylpyrazol-4-yl)isoquinolin-8-amine

N-(1-ethylsulfonylpiperidin-4-yl)-6-(5-methyl-3-pyridinyl)isoquinolin-8-amine;6-(3-fluoro-4-pyridinyl)-N-(1-methylsulfonylpiperidin-4-yl)isoquinolin-8-amine;6-(5-fluoro-3-pyridinyl)-N-(1-methylsulfonylpiperidin-4-yl)isoquinolin-8-amine;4-[8-[(1-methylsulfonylpiperidin-4-yl)amino]isoquinolin-6-yl]pyridine-2-carbonitrile;N-(1-methylsulfonylpiperidin-4-yl)-6-(1-propylpyrazol-4-yl)isoquinolin-8-amine (PubChem CID 159273985) has the molecular formula C104H116F2N22O10S5 and a molecular weight of 2032.55 g/mol. Its IUPAC name is N-(1-ethylsulfonylpiperidin-4-yl)-6-(5-methyl-3-pyridinyl)isoquinolin-8-amine;6-(3-fluoro-4-pyridinyl)-N-(1-methylsulfonylpiperidin-4-yl)isoquinolin-8-amine;6-(5-fluoro-3-pyridinyl)-N-(1-methylsulfonylpiperidin-4-yl)isoquinolin-8-amine;4-[8-[(1-methylsulfonylpiperidin-4-yl)amino]isoquinolin-6-yl]pyridine-2-carbonitrile;N-(1-methylsulfonylpiperidin-4-yl)-6-(1-propylpyrazol-4-yl)isoquinolin-8-amine.

Molecular Properties

Compound NameN-(1-ethylsulfonylpiperidin-4-yl)-6-(5-methyl-3-pyridinyl)isoquinolin-8-amine;6-(3-fluoro-4-pyridinyl)-N-(1-methylsulfonylpiperidin-4-yl)isoquinolin-8-amine;6-(5-fluoro-3-pyridinyl)-N-(1-methylsulfonylpiperidin-4-yl)isoquinolin-8-amine;4-[8-[(1-methylsulfonylpiperidin-4-yl)amino]isoquinolin-6-yl]pyridine-2-carbonitrile;N-(1-methylsulfonylpiperidin-4-yl)-6-(1-propylpyrazol-4-yl)isoquinolin-8-amine
PubChem CID159273985
Molecular FormulaC104H116F2N22O10S5
Molecular Weight2032.55 g/mol
Exact Mass2030.78
IUPAC NameN-(1-ethylsulfonylpiperidin-4-yl)-6-(5-methyl-3-pyridinyl)isoquinolin-8-amine;6-(3-fluoro-4-pyridinyl)-N-(1-methylsulfonylpiperidin-4-yl)isoquinolin-8-amine;6-(5-fluoro-3-pyridinyl)-N-(1-methylsulfonylpiperidin-4-yl)isoquinolin-8-amine;4-[8-[(1-methylsulfonylpiperidin-4-yl)amino]isoquinolin-6-yl]pyridine-2-carbonitrile;N-(1-methylsulfonylpiperidin-4-yl)-6-(1-propylpyrazol-4-yl)isoquinolin-8-amine
SMILESCCCn1cc(-c2cc(NC3CCN(S(C)(=O)=O)CC3)c3cnccc3c2)cn1.CCS(=O)(=O)N1CCC(Nc2cc(-c3cncc(C)c3)cc3ccncc23)CC1.CS(=O)(=O)N1CCC(Nc2cc(-c3ccnc(C#N)c3)cc3ccncc23)CC1.CS(=O)(=O)N1CCC(Nc2cc(-c3ccncc3F)cc3ccncc23)CC1.CS(=O)(=O)N1CCC(Nc2cc(-c3cncc(F)c3)cc3ccncc23)CC1
InChIInChI=1S/C22H26N4O2S.C21H21N5O2S.C21H27N5O2S.2C20H21FN4O2S/c1-3-29(27,28)26-8-5-20(6-9-26)25-22-12-18(19-10-16(2)13-24-14-19)11-17-4-7-23-15-21(17)22;1-29(27,28)26-8-4-18(5-9-26)25-21-12-17(10-16-2-6-23-14-20(16)21)15-3-7-24-19(11-15)13-22;1-3-8-25-15-18(13-23-25)17-11-16-4-7-22-14-20(16)21(12-17)24-19-5-9-26(10-6-19)29(2,27)28;1-28(26,27)25-8-4-16(5-9-25)24-20-11-15(17-3-7-23-13-19(17)21)10-14-2-6-22-12-18(14)20;1-28(26,27)25-6-3-18(4-7-25)24-20-10-15(16-9-17(21)12-23-11-16)8-14-2-5-22-13-19(14)20/h4,7,10-15,20,25H,3,5-6,8-9H2,1-2H3;2-3,6-7,10-12,14,18,25H,4-5,8-9H2,1H3;4,7,11-15,19,24H,3,5-6,8-10H2,1-2H3;2-3,6-7,10-13,16,24H,4-5,8-9H2,1H3;2,5,8-13,18,24H,3-4,6-7H2,1H3
InChIKeyKYBKWMZIAPHQAG-UHFFFAOYSA-N
XLogP16.72
TPSA404.67 Ų
H-Bond Donors5
H-Bond Acceptors27
Rotatable Bonds23
Heavy Atoms143
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002032.55
LogP ≤ 516.72
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1027

Analyze N-(1-ethylsulfonylpiperidin-4-yl)-6-(5-methyl-3-pyridinyl)isoquinolin-8-amine;6-(3-fluoro-4-pyridinyl)-N-(1-methylsulfonylpiperidin-4-yl)isoquinolin-8-amine;6-(5-fluoro-3-pyridinyl)-N-(1-methylsulfonylpiperidin-4-yl)isoquinolin-8-amine;4-[8-[(1-methylsulfonylpiperidin-4-yl)amino]isoquinolin-6-yl]pyridine-2-carbonitrile;N-(1-methylsulfonylpiperidin-4-yl)-6-(1-propylpyrazol-4-yl)isoquinolin-8-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Frequently Asked Questions

What is the IUPAC name of N-(1-ethylsulfonylpiperidin-4-yl)-6-(5-methyl-3-pyridinyl)isoquinolin-8-amine;6-(3-fluoro-4-pyridinyl)-N-(1-methylsulfonylpiperidin-4-yl)isoquinolin-8-amine;6-(5-fluoro-3-pyridinyl)-N-(1-methylsulfonylpiperidin-4-yl)isoquinolin-8-amine;4-[8-[(1-methylsulfonylpiperidin-4-yl)amino]isoquinolin-6-yl]pyridine-2-carbonitrile;N-(1-methylsulfonylpiperidin-4-yl)-6-(1-propylpyrazol-4-yl)isoquinolin-8-amine?
The IUPAC name of N-(1-ethylsulfonylpiperidin-4-yl)-6-(5-methyl-3-pyridinyl)isoquinolin-8-amine;6-(3-fluoro-4-pyridinyl)-N-(1-methylsulfonylpiperidin-4-yl)isoquinolin-8-amine;6-(5-fluoro-3-pyridinyl)-N-(1-methylsulfonylpiperidin-4-yl)isoquinolin-8-amine;4-[8-[(1-methylsulfonylpiperidin-4-yl)amino]isoquinolin-6-yl]pyridine-2-carbonitrile;N-(1-methylsulfonylpiperidin-4-yl)-6-(1-propylpyrazol-4-yl)isoquinolin-8-amine (CID 159273985) is N-(1-ethylsulfonylpiperidin-4-yl)-6-(5-methyl-3-pyridinyl)isoquinolin-8-amine;6-(3-fluoro-4-pyridinyl)-N-(1-methylsulfonylpiperidin-4-yl)isoquinolin-8-amine;6-(5-fluoro-3-pyridinyl)-N-(1-methylsulfonylpiperidin-4-yl)isoquinolin-8-amine;4-[8-[(1-methylsulfonylpiperidin-4-yl)amino]isoquinolin-6-yl]pyridine-2-carbonitrile;N-(1-methylsulfonylpiperidin-4-yl)-6-(1-propylpyrazol-4-yl)isoquinolin-8-amine.
What is the SMILES notation for N-(1-ethylsulfonylpiperidin-4-yl)-6-(5-methyl-3-pyridinyl)isoquinolin-8-amine;6-(3-fluoro-4-pyridinyl)-N-(1-methylsulfonylpiperidin-4-yl)isoquinolin-8-amine;6-(5-fluoro-3-pyridinyl)-N-(1-methylsulfonylpiperidin-4-yl)isoquinolin-8-amine;4-[8-[(1-methylsulfonylpiperidin-4-yl)amino]isoquinolin-6-yl]pyridine-2-carbonitrile;N-(1-methylsulfonylpiperidin-4-yl)-6-(1-propylpyrazol-4-yl)isoquinolin-8-amine?
The canonical SMILES for N-(1-ethylsulfonylpiperidin-4-yl)-6-(5-methyl-3-pyridinyl)isoquinolin-8-amine;6-(3-fluoro-4-pyridinyl)-N-(1-methylsulfonylpiperidin-4-yl)isoquinolin-8-amine;6-(5-fluoro-3-pyridinyl)-N-(1-methylsulfonylpiperidin-4-yl)isoquinolin-8-amine;4-[8-[(1-methylsulfonylpiperidin-4-yl)amino]isoquinolin-6-yl]pyridine-2-carbonitrile;N-(1-methylsulfonylpiperidin-4-yl)-6-(1-propylpyrazol-4-yl)isoquinolin-8-amine is CCCn1cc(-c2cc(NC3CCN(S(C)(=O)=O)CC3)c3cnccc3c2)cn1.CCS(=O)(=O)N1CCC(Nc2cc(-c3cncc(C)c3)cc3ccncc23)CC1.CS(=O)(=O)N1CCC(Nc2cc(-c3ccnc(C#N)c3)cc3ccncc23)CC1.CS(=O)(=O)N1CCC(Nc2cc(-c3ccncc3F)cc3ccncc23)CC1.CS(=O)(=O)N1CCC(Nc2cc(-c3cncc(F)c3)cc3ccncc23)CC1.
What is the InChIKey of N-(1-ethylsulfonylpiperidin-4-yl)-6-(5-methyl-3-pyridinyl)isoquinolin-8-amine;6-(3-fluoro-4-pyridinyl)-N-(1-methylsulfonylpiperidin-4-yl)isoquinolin-8-amine;6-(5-fluoro-3-pyridinyl)-N-(1-methylsulfonylpiperidin-4-yl)isoquinolin-8-amine;4-[8-[(1-methylsulfonylpiperidin-4-yl)amino]isoquinolin-6-yl]pyridine-2-carbonitrile;N-(1-methylsulfonylpiperidin-4-yl)-6-(1-propylpyrazol-4-yl)isoquinolin-8-amine?
The InChIKey is KYBKWMZIAPHQAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O2S.C21H21N5O2S.C21H27N5O2S.2C20H21FN4O2S/c1-3-29(27,28)26-8-5-20(6-9-26)25-22-12-18(19-10-16(2)13-24-14-19)11-17-4-7-23-15-21(17)22;1-29(27,28)26-8-4-18(5-9-26)25-21-12-17(10-16-2-6-23-14-20(16)21)15-3-7-24-19(11-15)13-22;1-3-8-25-15-18(13-23-25)17-11-16-4-7-22-14-20(16)21(12-17)24-19-5-9-26(10-6-19)29(2,27)28;1-28(26,27)25-8-4-16(5-9-25)24-20-11-15(17-3-7-23-13-19(17)21)10-14-2-6-22-12-18(14)20;1-28(26,27)25-6-3-18(4-7-25)24-20-10-15(16-9-17(21)12-23-11-16)8-14-2-5-22-13-19(14)20/h4,7,10-15,20,25H,3,5-6,8-9H2,1-2H3;2-3,6-7,10-12,14,18,25H,4-5,8-9H2,1H3;4,7,11-15,19,24H,3,5-6,8-10H2,1-2H3;2-3,6-7,10-13,16,24H,4-5,8-9H2,1H3;2,5,8-13,18,24H,3-4,6-7H2,1H3.
What are the key properties of N-(1-ethylsulfonylpiperidin-4-yl)-6-(5-methyl-3-pyridinyl)isoquinolin-8-amine;6-(3-fluoro-4-pyridinyl)-N-(1-methylsulfonylpiperidin-4-yl)isoquinolin-8-amine;6-(5-fluoro-3-pyridinyl)-N-(1-methylsulfonylpiperidin-4-yl)isoquinolin-8-amine;4-[8-[(1-methylsulfonylpiperidin-4-yl)amino]isoquinolin-6-yl]pyridine-2-carbonitrile;N-(1-methylsulfonylpiperidin-4-yl)-6-(1-propylpyrazol-4-yl)isoquinolin-8-amine?
N-(1-ethylsulfonylpiperidin-4-yl)-6-(5-methyl-3-pyridinyl)isoquinolin-8-amine;6-(3-fluoro-4-pyridinyl)-N-(1-methylsulfonylpiperidin-4-yl)isoquinolin-8-amine;6-(5-fluoro-3-pyridinyl)-N-(1-methylsulfonylpiperidin-4-yl)isoquinolin-8-amine;4-[8-[(1-methylsulfonylpiperidin-4-yl)amino]isoquinolin-6-yl]pyridine-2-carbonitrile;N-(1-methylsulfonylpiperidin-4-yl)-6-(1-propylpyrazol-4-yl)isoquinolin-8-amine has a molecular weight of 2032.55 g/mol, XLogP of 16.72, 23 rotatable bonds, 5 hydrogen bond donors, and 27 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-ethylsulfonylpiperidin-4-yl)-6-(5-methyl-3-pyridinyl)isoquinolin-8-amine;6-(3-fluoro-4-pyridinyl)-N-(1-methylsulfonylpiperidin-4-yl)isoquinolin-8-amine;6-(5-fluoro-3-pyridinyl)-N-(1-methylsulfonylpiperidin-4-yl)isoquinolin-8-amine;4-[8-[(1-methylsulfonylpiperidin-4-yl)amino]isoquinolin-6-yl]pyridine-2-carbonitrile;N-(1-methylsulfonylpiperidin-4-yl)-6-(1-propylpyrazol-4-yl)isoquinolin-8-amine is sourced from PubChem (CID 159273985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).