N-(1-ethylsulfonylpiperidin-4-yl)-6-(5-fluoro-3-pyridinyl)isoquinolin-8-amine;N-(1-ethylsulfonylpiperidin-4-yl)-6-(1-propylpyrazol-4-yl)isoquinolin-8-amine;6-(5-methoxy-3-pyridinyl)-N-(1-methylsulfonylpiperidin-4-yl)isoquinolin-8-amine;6-(5-methyl-6-morpholin-4-yl-3-pyridinyl)-N-(1-methylsulfonylpiperidin-4-yl)isoquinolin-8-amine

C89H107FN18O10S4 — CID 157462736

IUPACN-(1-ethylsulfonylpiperidin-4-yl)-6-(5-fluoro-3-pyridinyl)isoquinolin-8-amine;N-(1-ethylsulfonylpiperidin-4-yl)-6-(1-propylpyrazol-4-yl)isoquinolin-8-amine;6-(5-methoxy-3-pyridinyl)-N-(1-methylsulfonylpiperidin-4-yl)isoquinolin-8-amine;6-(5-methyl-6-morpholin-4-yl-3-pyridinyl)-N-(1-methylsulfonylpiperidin-4-yl)isoquinolin-8-amine
SMILESCCCn1cc(-c2cc(NC3CCN(S(=O)(=O)CC)CC3)c3cnccc3c2)cn1.CCS(=O)(=O)N1CCC(Nc2cc(-c3cncc(F)c3)cc3ccncc23)CC1.COc1cncc(-c2cc(NC3CCN(S(C)(=O)=O)CC3)c3cnccc3c2)c1.Cc1cc(-c2cc(NC3CCN(S(C)(=O)=O)CC3)c3cnccc3c2)cnc1N1CCOCC1
InChIInChI=1S/C25H31N5O3S.C22H29N5O2S.C21H23FN4O2S.C21H24N4O3S/c1-18-13-21(16-27-25(18)29-9-11-33-12-10-29)20-14-19-3-6-26-17-23(19)24(15-20)28-22-4-7-30(8-5-22)34(2,31)32;1-3-9-26-16-19(14-24-26)18-12-17-5-8-23-15-21(17)22(13-18)25-20-6-10-27(11-7-20)30(28,29)4-2;1-2-29(27,28)26-7-4-19(5-8-26)25-21-11-16(17-10-18(22)13-24-12-17)9-15-3-6-23-14-20(15)21;1-28-19-10-17(12-23-13-19)16-9-15-3-6-22-14-20(15)21(11-16)24-18-4-7-25(8-5-18)29(2,26)27/h3,6,13-17,22,28H,4-5,7-12H2,1-2H3;5,8,12-16,20,25H,3-4,6-7,9-11H2,1-2H3;3,6,9-14,19,25H,2,4-5,7-8H2,1H3;3,6,9-14,18,24H,4-5,7-8H2,1-2H3
InChIKeyBUCUEURHZMTMPZ-UHFFFAOYSA-N
MW1736.22 g/mol
LogP13.82
Rot. Bonds22

About N-(1-ethylsulfonylpiperidin-4-yl)-6-(5-fluoro-3-pyridinyl)isoquinolin-8-amine;N-(1-ethylsulfonylpiperidin-4-yl)-6-(1-propylpyrazol-4-yl)isoquinolin-8-amine;6-(5-methoxy-3-pyridinyl)-N-(1-methylsulfonylpiperidin-4-yl)isoquinolin-8-amine;6-(5-methyl-6-morpholin-4-yl-3-pyridinyl)-N-(1-methylsulfonylpiperidin-4-yl)isoquinolin-8-amine

N-(1-ethylsulfonylpiperidin-4-yl)-6-(5-fluoro-3-pyridinyl)isoquinolin-8-amine;N-(1-ethylsulfonylpiperidin-4-yl)-6-(1-propylpyrazol-4-yl)isoquinolin-8-amine;6-(5-methoxy-3-pyridinyl)-N-(1-methylsulfonylpiperidin-4-yl)isoquinolin-8-amine;6-(5-methyl-6-morpholin-4-yl-3-pyridinyl)-N-(1-methylsulfonylpiperidin-4-yl)isoquinolin-8-amine (PubChem CID 157462736) has the molecular formula C89H107FN18O10S4 and a molecular weight of 1736.22 g/mol. Its IUPAC name is N-(1-ethylsulfonylpiperidin-4-yl)-6-(5-fluoro-3-pyridinyl)isoquinolin-8-amine;N-(1-ethylsulfonylpiperidin-4-yl)-6-(1-propylpyrazol-4-yl)isoquinolin-8-amine;6-(5-methoxy-3-pyridinyl)-N-(1-methylsulfonylpiperidin-4-yl)isoquinolin-8-amine;6-(5-methyl-6-morpholin-4-yl-3-pyridinyl)-N-(1-methylsulfonylpiperidin-4-yl)isoquinolin-8-amine.

Molecular Properties

Compound NameN-(1-ethylsulfonylpiperidin-4-yl)-6-(5-fluoro-3-pyridinyl)isoquinolin-8-amine;N-(1-ethylsulfonylpiperidin-4-yl)-6-(1-propylpyrazol-4-yl)isoquinolin-8-amine;6-(5-methoxy-3-pyridinyl)-N-(1-methylsulfonylpiperidin-4-yl)isoquinolin-8-amine;6-(5-methyl-6-morpholin-4-yl-3-pyridinyl)-N-(1-methylsulfonylpiperidin-4-yl)isoquinolin-8-amine
PubChem CID157462736
Molecular FormulaC89H107FN18O10S4
Molecular Weight1736.22 g/mol
Exact Mass1734.73
IUPAC NameN-(1-ethylsulfonylpiperidin-4-yl)-6-(5-fluoro-3-pyridinyl)isoquinolin-8-amine;N-(1-ethylsulfonylpiperidin-4-yl)-6-(1-propylpyrazol-4-yl)isoquinolin-8-amine;6-(5-methoxy-3-pyridinyl)-N-(1-methylsulfonylpiperidin-4-yl)isoquinolin-8-amine;6-(5-methyl-6-morpholin-4-yl-3-pyridinyl)-N-(1-methylsulfonylpiperidin-4-yl)isoquinolin-8-amine
SMILESCCCn1cc(-c2cc(NC3CCN(S(=O)(=O)CC)CC3)c3cnccc3c2)cn1.CCS(=O)(=O)N1CCC(Nc2cc(-c3cncc(F)c3)cc3ccncc23)CC1.COc1cncc(-c2cc(NC3CCN(S(C)(=O)=O)CC3)c3cnccc3c2)c1.Cc1cc(-c2cc(NC3CCN(S(C)(=O)=O)CC3)c3cnccc3c2)cnc1N1CCOCC1
InChIInChI=1S/C25H31N5O3S.C22H29N5O2S.C21H23FN4O2S.C21H24N4O3S/c1-18-13-21(16-27-25(18)29-9-11-33-12-10-29)20-14-19-3-6-26-17-23(19)24(15-20)28-22-4-7-30(8-5-22)34(2,31)32;1-3-9-26-16-19(14-24-26)18-12-17-5-8-23-15-21(17)22(13-18)25-20-6-10-27(11-7-20)30(28,29)4-2;1-2-29(27,28)26-7-4-19(5-8-26)25-21-11-16(17-10-18(22)13-24-12-17)9-15-3-6-23-14-20(15)21;1-28-19-10-17(12-23-13-19)16-9-15-3-6-22-14-20(15)21(11-16)24-18-4-7-25(8-5-18)29(2,26)27/h3,6,13-17,22,28H,4-5,7-12H2,1-2H3;5,8,12-16,20,25H,3-4,6-7,9-11H2,1-2H3;3,6,9-14,19,25H,2,4-5,7-8H2,1H3;3,6,9-14,18,24H,4-5,7-8H2,1-2H3
InChIKeyBUCUEURHZMTMPZ-UHFFFAOYSA-N
XLogP13.82
TPSA327.39 Ų
H-Bond Donors4
H-Bond Acceptors24
Rotatable Bonds22
Heavy Atoms122
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001736.22
LogP ≤ 513.82
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1024

Analyze N-(1-ethylsulfonylpiperidin-4-yl)-6-(5-fluoro-3-pyridinyl)isoquinolin-8-amine;N-(1-ethylsulfonylpiperidin-4-yl)-6-(1-propylpyrazol-4-yl)isoquinolin-8-amine;6-(5-methoxy-3-pyridinyl)-N-(1-methylsulfonylpiperidin-4-yl)isoquinolin-8-amine;6-(5-methyl-6-morpholin-4-yl-3-pyridinyl)-N-(1-methylsulfonylpiperidin-4-yl)isoquinolin-8-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-(1-ethylsulfonylpiperidin-4-yl)-6-(5-fluoro-3-pyridinyl)isoquinolin-8-amine;N-(1-ethylsulfonylpiperidin-4-yl)-6-(1-propylpyrazol-4-yl)isoquinolin-8-amine;6-(5-methoxy-3-pyridinyl)-N-(1-methylsulfonylpiperidin-4-yl)isoquinolin-8-amine;6-(5-methyl-6-morpholin-4-yl-3-pyridinyl)-N-(1-methylsulfonylpiperidin-4-yl)isoquinolin-8-amine?
The IUPAC name of N-(1-ethylsulfonylpiperidin-4-yl)-6-(5-fluoro-3-pyridinyl)isoquinolin-8-amine;N-(1-ethylsulfonylpiperidin-4-yl)-6-(1-propylpyrazol-4-yl)isoquinolin-8-amine;6-(5-methoxy-3-pyridinyl)-N-(1-methylsulfonylpiperidin-4-yl)isoquinolin-8-amine;6-(5-methyl-6-morpholin-4-yl-3-pyridinyl)-N-(1-methylsulfonylpiperidin-4-yl)isoquinolin-8-amine (CID 157462736) is N-(1-ethylsulfonylpiperidin-4-yl)-6-(5-fluoro-3-pyridinyl)isoquinolin-8-amine;N-(1-ethylsulfonylpiperidin-4-yl)-6-(1-propylpyrazol-4-yl)isoquinolin-8-amine;6-(5-methoxy-3-pyridinyl)-N-(1-methylsulfonylpiperidin-4-yl)isoquinolin-8-amine;6-(5-methyl-6-morpholin-4-yl-3-pyridinyl)-N-(1-methylsulfonylpiperidin-4-yl)isoquinolin-8-amine.
What is the SMILES notation for N-(1-ethylsulfonylpiperidin-4-yl)-6-(5-fluoro-3-pyridinyl)isoquinolin-8-amine;N-(1-ethylsulfonylpiperidin-4-yl)-6-(1-propylpyrazol-4-yl)isoquinolin-8-amine;6-(5-methoxy-3-pyridinyl)-N-(1-methylsulfonylpiperidin-4-yl)isoquinolin-8-amine;6-(5-methyl-6-morpholin-4-yl-3-pyridinyl)-N-(1-methylsulfonylpiperidin-4-yl)isoquinolin-8-amine?
The canonical SMILES for N-(1-ethylsulfonylpiperidin-4-yl)-6-(5-fluoro-3-pyridinyl)isoquinolin-8-amine;N-(1-ethylsulfonylpiperidin-4-yl)-6-(1-propylpyrazol-4-yl)isoquinolin-8-amine;6-(5-methoxy-3-pyridinyl)-N-(1-methylsulfonylpiperidin-4-yl)isoquinolin-8-amine;6-(5-methyl-6-morpholin-4-yl-3-pyridinyl)-N-(1-methylsulfonylpiperidin-4-yl)isoquinolin-8-amine is CCCn1cc(-c2cc(NC3CCN(S(=O)(=O)CC)CC3)c3cnccc3c2)cn1.CCS(=O)(=O)N1CCC(Nc2cc(-c3cncc(F)c3)cc3ccncc23)CC1.COc1cncc(-c2cc(NC3CCN(S(C)(=O)=O)CC3)c3cnccc3c2)c1.Cc1cc(-c2cc(NC3CCN(S(C)(=O)=O)CC3)c3cnccc3c2)cnc1N1CCOCC1.
What is the InChIKey of N-(1-ethylsulfonylpiperidin-4-yl)-6-(5-fluoro-3-pyridinyl)isoquinolin-8-amine;N-(1-ethylsulfonylpiperidin-4-yl)-6-(1-propylpyrazol-4-yl)isoquinolin-8-amine;6-(5-methoxy-3-pyridinyl)-N-(1-methylsulfonylpiperidin-4-yl)isoquinolin-8-amine;6-(5-methyl-6-morpholin-4-yl-3-pyridinyl)-N-(1-methylsulfonylpiperidin-4-yl)isoquinolin-8-amine?
The InChIKey is BUCUEURHZMTMPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N5O3S.C22H29N5O2S.C21H23FN4O2S.C21H24N4O3S/c1-18-13-21(16-27-25(18)29-9-11-33-12-10-29)20-14-19-3-6-26-17-23(19)24(15-20)28-22-4-7-30(8-5-22)34(2,31)32;1-3-9-26-16-19(14-24-26)18-12-17-5-8-23-15-21(17)22(13-18)25-20-6-10-27(11-7-20)30(28,29)4-2;1-2-29(27,28)26-7-4-19(5-8-26)25-21-11-16(17-10-18(22)13-24-12-17)9-15-3-6-23-14-20(15)21;1-28-19-10-17(12-23-13-19)16-9-15-3-6-22-14-20(15)21(11-16)24-18-4-7-25(8-5-18)29(2,26)27/h3,6,13-17,22,28H,4-5,7-12H2,1-2H3;5,8,12-16,20,25H,3-4,6-7,9-11H2,1-2H3;3,6,9-14,19,25H,2,4-5,7-8H2,1H3;3,6,9-14,18,24H,4-5,7-8H2,1-2H3.
What are the key properties of N-(1-ethylsulfonylpiperidin-4-yl)-6-(5-fluoro-3-pyridinyl)isoquinolin-8-amine;N-(1-ethylsulfonylpiperidin-4-yl)-6-(1-propylpyrazol-4-yl)isoquinolin-8-amine;6-(5-methoxy-3-pyridinyl)-N-(1-methylsulfonylpiperidin-4-yl)isoquinolin-8-amine;6-(5-methyl-6-morpholin-4-yl-3-pyridinyl)-N-(1-methylsulfonylpiperidin-4-yl)isoquinolin-8-amine?
N-(1-ethylsulfonylpiperidin-4-yl)-6-(5-fluoro-3-pyridinyl)isoquinolin-8-amine;N-(1-ethylsulfonylpiperidin-4-yl)-6-(1-propylpyrazol-4-yl)isoquinolin-8-amine;6-(5-methoxy-3-pyridinyl)-N-(1-methylsulfonylpiperidin-4-yl)isoquinolin-8-amine;6-(5-methyl-6-morpholin-4-yl-3-pyridinyl)-N-(1-methylsulfonylpiperidin-4-yl)isoquinolin-8-amine has a molecular weight of 1736.22 g/mol, XLogP of 13.82, 22 rotatable bonds, 4 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-ethylsulfonylpiperidin-4-yl)-6-(5-fluoro-3-pyridinyl)isoquinolin-8-amine;N-(1-ethylsulfonylpiperidin-4-yl)-6-(1-propylpyrazol-4-yl)isoquinolin-8-amine;6-(5-methoxy-3-pyridinyl)-N-(1-methylsulfonylpiperidin-4-yl)isoquinolin-8-amine;6-(5-methyl-6-morpholin-4-yl-3-pyridinyl)-N-(1-methylsulfonylpiperidin-4-yl)isoquinolin-8-amine is sourced from PubChem (CID 157462736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).