6-(5-chloro-3-pyridinyl)-N-(1-ethylsulfonylpiperidin-4-yl)isoquinolin-8-amine;6-(1-ethylpyrazol-4-yl)-N-(1-ethylsulfonylpiperidin-4-yl)isoquinolin-8-amine;N-(1-ethylsulfonylpiperidin-4-yl)-6-(2-methoxy-1,3-thiazol-5-yl)isoquinolin-8-amine;N-(1-ethylsulfonylpiperidin-4-yl)-6-(1-methylindazol-6-yl)isoquinolin-8-amine;N-(1-ethylsulfonylpiperidin-4-yl)-6-(6-methyl-3-pyridinyl)isoquinolin-8-amine

C108H127ClN22O11S6 — CID 160667814

IUPAC6-(5-chloro-3-pyridinyl)-N-(1-ethylsulfonylpiperidin-4-yl)isoquinolin-8-amine;6-(1-ethylpyrazol-4-yl)-N-(1-ethylsulfonylpiperidin-4-yl)isoquinolin-8-amine;N-(1-ethylsulfonylpiperidin-4-yl)-6-(2-methoxy-1,3-thiazol-5-yl)isoquinolin-8-amine;N-(1-ethylsulfonylpiperidin-4-yl)-6-(1-methylindazol-6-yl)isoquinolin-8-amine;N-(1-ethylsulfonylpiperidin-4-yl)-6-(6-methyl-3-pyridinyl)isoquinolin-8-amine
SMILESCCS(=O)(=O)N1CCC(Nc2cc(-c3ccc(C)nc3)cc3ccncc23)CC1.CCS(=O)(=O)N1CCC(Nc2cc(-c3ccc4cnn(C)c4c3)cc3ccncc23)CC1.CCS(=O)(=O)N1CCC(Nc2cc(-c3cnc(OC)s3)cc3ccncc23)CC1.CCS(=O)(=O)N1CCC(Nc2cc(-c3cncc(Cl)c3)cc3ccncc23)CC1.CCn1cc(-c2cc(NC3CCN(S(=O)(=O)CC)CC3)c3cnccc3c2)cn1
InChIInChI=1S/C24H27N5O2S.C22H26N4O2S.C21H23ClN4O2S.C21H27N5O2S.C20H24N4O3S2/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;1-3-29(27,28)26-10-7-20(8-11-26)25-22-13-19(18-5-4-16(2)24-14-18)12-17-6-9-23-15-21(17)22;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;1-3-25-15-18(13-23-25)17-11-16-5-8-22-14-20(16)21(12-17)24-19-6-9-26(10-7-19)29(27,28)4-2;1-3-29(25,26)24-8-5-16(6-9-24)23-18-11-15(19-13-22-20(27-2)28-19)10-14-4-7-21-12-17(14)18/h4-6,9,12-16,21,27H,3,7-8,10-11H2,1-2H3;4-6,9,12-15,20,25H,3,7-8,10-11H2,1-2H3;3,6,9-14,19,25H,2,4-5,7-8H2,1H3;5,8,11-15,19,24H,3-4,6-7,9-10H2,1-2H3;4,7,10-13,16,23H,3,5-6,8-9H2,1-2H3
InChIKeyRMNQDPYIIRSBFA-UHFFFAOYSA-N
MW2137.20 g/mol
LogP18.96
Rot. Bonds27

About 6-(5-chloro-3-pyridinyl)-N-(1-ethylsulfonylpiperidin-4-yl)isoquinolin-8-amine;6-(1-ethylpyrazol-4-yl)-N-(1-ethylsulfonylpiperidin-4-yl)isoquinolin-8-amine;N-(1-ethylsulfonylpiperidin-4-yl)-6-(2-methoxy-1,3-thiazol-5-yl)isoquinolin-8-amine;N-(1-ethylsulfonylpiperidin-4-yl)-6-(1-methylindazol-6-yl)isoquinolin-8-amine;N-(1-ethylsulfonylpiperidin-4-yl)-6-(6-methyl-3-pyridinyl)isoquinolin-8-amine

6-(5-chloro-3-pyridinyl)-N-(1-ethylsulfonylpiperidin-4-yl)isoquinolin-8-amine;6-(1-ethylpyrazol-4-yl)-N-(1-ethylsulfonylpiperidin-4-yl)isoquinolin-8-amine;N-(1-ethylsulfonylpiperidin-4-yl)-6-(2-methoxy-1,3-thiazol-5-yl)isoquinolin-8-amine;N-(1-ethylsulfonylpiperidin-4-yl)-6-(1-methylindazol-6-yl)isoquinolin-8-amine;N-(1-ethylsulfonylpiperidin-4-yl)-6-(6-methyl-3-pyridinyl)isoquinolin-8-amine (PubChem CID 160667814) has the molecular formula C108H127ClN22O11S6 and a molecular weight of 2137.20 g/mol. Its IUPAC name is 6-(5-chloro-3-pyridinyl)-N-(1-ethylsulfonylpiperidin-4-yl)isoquinolin-8-amine;6-(1-ethylpyrazol-4-yl)-N-(1-ethylsulfonylpiperidin-4-yl)isoquinolin-8-amine;N-(1-ethylsulfonylpiperidin-4-yl)-6-(2-methoxy-1,3-thiazol-5-yl)isoquinolin-8-amine;N-(1-ethylsulfonylpiperidin-4-yl)-6-(1-methylindazol-6-yl)isoquinolin-8-amine;N-(1-ethylsulfonylpiperidin-4-yl)-6-(6-methyl-3-pyridinyl)isoquinolin-8-amine.

Molecular Properties

Compound Name6-(5-chloro-3-pyridinyl)-N-(1-ethylsulfonylpiperidin-4-yl)isoquinolin-8-amine;6-(1-ethylpyrazol-4-yl)-N-(1-ethylsulfonylpiperidin-4-yl)isoquinolin-8-amine;N-(1-ethylsulfonylpiperidin-4-yl)-6-(2-methoxy-1,3-thiazol-5-yl)isoquinolin-8-amine;N-(1-ethylsulfonylpiperidin-4-yl)-6-(1-methylindazol-6-yl)isoquinolin-8-amine;N-(1-ethylsulfonylpiperidin-4-yl)-6-(6-methyl-3-pyridinyl)isoquinolin-8-amine
PubChem CID160667814
Molecular FormulaC108H127ClN22O11S6
Molecular Weight2137.20 g/mol
Exact Mass2134.81
IUPAC Name6-(5-chloro-3-pyridinyl)-N-(1-ethylsulfonylpiperidin-4-yl)isoquinolin-8-amine;6-(1-ethylpyrazol-4-yl)-N-(1-ethylsulfonylpiperidin-4-yl)isoquinolin-8-amine;N-(1-ethylsulfonylpiperidin-4-yl)-6-(2-methoxy-1,3-thiazol-5-yl)isoquinolin-8-amine;N-(1-ethylsulfonylpiperidin-4-yl)-6-(1-methylindazol-6-yl)isoquinolin-8-amine;N-(1-ethylsulfonylpiperidin-4-yl)-6-(6-methyl-3-pyridinyl)isoquinolin-8-amine
SMILESCCS(=O)(=O)N1CCC(Nc2cc(-c3ccc(C)nc3)cc3ccncc23)CC1.CCS(=O)(=O)N1CCC(Nc2cc(-c3ccc4cnn(C)c4c3)cc3ccncc23)CC1.CCS(=O)(=O)N1CCC(Nc2cc(-c3cnc(OC)s3)cc3ccncc23)CC1.CCS(=O)(=O)N1CCC(Nc2cc(-c3cncc(Cl)c3)cc3ccncc23)CC1.CCn1cc(-c2cc(NC3CCN(S(=O)(=O)CC)CC3)c3cnccc3c2)cn1
InChIInChI=1S/C24H27N5O2S.C22H26N4O2S.C21H23ClN4O2S.C21H27N5O2S.C20H24N4O3S2/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;1-3-29(27,28)26-10-7-20(8-11-26)25-22-13-19(18-5-4-16(2)24-14-18)12-17-6-9-23-15-21(17)22;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;1-3-25-15-18(13-23-25)17-11-16-5-8-22-14-20(16)21(12-17)24-19-6-9-26(10-7-19)29(27,28)4-2;1-3-29(25,26)24-8-5-16(6-9-24)23-18-11-15(19-13-22-20(27-2)28-19)10-14-4-7-21-12-17(14)18/h4-6,9,12-16,21,27H,3,7-8,10-11H2,1-2H3;4-6,9,12-15,20,25H,3,7-8,10-11H2,1-2H3;3,6,9-14,19,25H,2,4-5,7-8H2,1H3;5,8,11-15,19,24H,3-4,6-7,9-10H2,1-2H3;4,7,10-13,16,23H,3,5-6,8-9H2,1-2H3
InChIKeyRMNQDPYIIRSBFA-UHFFFAOYSA-N
XLogP18.96
TPSA395.04 Ų
H-Bond Donors5
H-Bond Acceptors29
Rotatable Bonds27
Heavy Atoms148
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002137.20
LogP ≤ 518.96
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1029

Analyze 6-(5-chloro-3-pyridinyl)-N-(1-ethylsulfonylpiperidin-4-yl)isoquinolin-8-amine;6-(1-ethylpyrazol-4-yl)-N-(1-ethylsulfonylpiperidin-4-yl)isoquinolin-8-amine;N-(1-ethylsulfonylpiperidin-4-yl)-6-(2-methoxy-1,3-thiazol-5-yl)isoquinolin-8-amine;N-(1-ethylsulfonylpiperidin-4-yl)-6-(1-methylindazol-6-yl)isoquinolin-8-amine;N-(1-ethylsulfonylpiperidin-4-yl)-6-(6-methyl-3-pyridinyl)isoquinolin-8-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-(5-chloro-3-pyridinyl)-N-(1-ethylsulfonylpiperidin-4-yl)isoquinolin-8-amine;6-(1-ethylpyrazol-4-yl)-N-(1-ethylsulfonylpiperidin-4-yl)isoquinolin-8-amine;N-(1-ethylsulfonylpiperidin-4-yl)-6-(2-methoxy-1,3-thiazol-5-yl)isoquinolin-8-amine;N-(1-ethylsulfonylpiperidin-4-yl)-6-(1-methylindazol-6-yl)isoquinolin-8-amine;N-(1-ethylsulfonylpiperidin-4-yl)-6-(6-methyl-3-pyridinyl)isoquinolin-8-amine?
The IUPAC name of 6-(5-chloro-3-pyridinyl)-N-(1-ethylsulfonylpiperidin-4-yl)isoquinolin-8-amine;6-(1-ethylpyrazol-4-yl)-N-(1-ethylsulfonylpiperidin-4-yl)isoquinolin-8-amine;N-(1-ethylsulfonylpiperidin-4-yl)-6-(2-methoxy-1,3-thiazol-5-yl)isoquinolin-8-amine;N-(1-ethylsulfonylpiperidin-4-yl)-6-(1-methylindazol-6-yl)isoquinolin-8-amine;N-(1-ethylsulfonylpiperidin-4-yl)-6-(6-methyl-3-pyridinyl)isoquinolin-8-amine (CID 160667814) is 6-(5-chloro-3-pyridinyl)-N-(1-ethylsulfonylpiperidin-4-yl)isoquinolin-8-amine;6-(1-ethylpyrazol-4-yl)-N-(1-ethylsulfonylpiperidin-4-yl)isoquinolin-8-amine;N-(1-ethylsulfonylpiperidin-4-yl)-6-(2-methoxy-1,3-thiazol-5-yl)isoquinolin-8-amine;N-(1-ethylsulfonylpiperidin-4-yl)-6-(1-methylindazol-6-yl)isoquinolin-8-amine;N-(1-ethylsulfonylpiperidin-4-yl)-6-(6-methyl-3-pyridinyl)isoquinolin-8-amine.
What is the SMILES notation for 6-(5-chloro-3-pyridinyl)-N-(1-ethylsulfonylpiperidin-4-yl)isoquinolin-8-amine;6-(1-ethylpyrazol-4-yl)-N-(1-ethylsulfonylpiperidin-4-yl)isoquinolin-8-amine;N-(1-ethylsulfonylpiperidin-4-yl)-6-(2-methoxy-1,3-thiazol-5-yl)isoquinolin-8-amine;N-(1-ethylsulfonylpiperidin-4-yl)-6-(1-methylindazol-6-yl)isoquinolin-8-amine;N-(1-ethylsulfonylpiperidin-4-yl)-6-(6-methyl-3-pyridinyl)isoquinolin-8-amine?
The canonical SMILES for 6-(5-chloro-3-pyridinyl)-N-(1-ethylsulfonylpiperidin-4-yl)isoquinolin-8-amine;6-(1-ethylpyrazol-4-yl)-N-(1-ethylsulfonylpiperidin-4-yl)isoquinolin-8-amine;N-(1-ethylsulfonylpiperidin-4-yl)-6-(2-methoxy-1,3-thiazol-5-yl)isoquinolin-8-amine;N-(1-ethylsulfonylpiperidin-4-yl)-6-(1-methylindazol-6-yl)isoquinolin-8-amine;N-(1-ethylsulfonylpiperidin-4-yl)-6-(6-methyl-3-pyridinyl)isoquinolin-8-amine is CCS(=O)(=O)N1CCC(Nc2cc(-c3ccc(C)nc3)cc3ccncc23)CC1.CCS(=O)(=O)N1CCC(Nc2cc(-c3ccc4cnn(C)c4c3)cc3ccncc23)CC1.CCS(=O)(=O)N1CCC(Nc2cc(-c3cnc(OC)s3)cc3ccncc23)CC1.CCS(=O)(=O)N1CCC(Nc2cc(-c3cncc(Cl)c3)cc3ccncc23)CC1.CCn1cc(-c2cc(NC3CCN(S(=O)(=O)CC)CC3)c3cnccc3c2)cn1.
What is the InChIKey of 6-(5-chloro-3-pyridinyl)-N-(1-ethylsulfonylpiperidin-4-yl)isoquinolin-8-amine;6-(1-ethylpyrazol-4-yl)-N-(1-ethylsulfonylpiperidin-4-yl)isoquinolin-8-amine;N-(1-ethylsulfonylpiperidin-4-yl)-6-(2-methoxy-1,3-thiazol-5-yl)isoquinolin-8-amine;N-(1-ethylsulfonylpiperidin-4-yl)-6-(1-methylindazol-6-yl)isoquinolin-8-amine;N-(1-ethylsulfonylpiperidin-4-yl)-6-(6-methyl-3-pyridinyl)isoquinolin-8-amine?
The InChIKey is RMNQDPYIIRSBFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N5O2S.C22H26N4O2S.C21H23ClN4O2S.C21H27N5O2S.C20H24N4O3S2/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;1-3-29(27,28)26-10-7-20(8-11-26)25-22-13-19(18-5-4-16(2)24-14-18)12-17-6-9-23-15-21(17)22;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;1-3-25-15-18(13-23-25)17-11-16-5-8-22-14-20(16)21(12-17)24-19-6-9-26(10-7-19)29(27,28)4-2;1-3-29(25,26)24-8-5-16(6-9-24)23-18-11-15(19-13-22-20(27-2)28-19)10-14-4-7-21-12-17(14)18/h4-6,9,12-16,21,27H,3,7-8,10-11H2,1-2H3;4-6,9,12-15,20,25H,3,7-8,10-11H2,1-2H3;3,6,9-14,19,25H,2,4-5,7-8H2,1H3;5,8,11-15,19,24H,3-4,6-7,9-10H2,1-2H3;4,7,10-13,16,23H,3,5-6,8-9H2,1-2H3.
What are the key properties of 6-(5-chloro-3-pyridinyl)-N-(1-ethylsulfonylpiperidin-4-yl)isoquinolin-8-amine;6-(1-ethylpyrazol-4-yl)-N-(1-ethylsulfonylpiperidin-4-yl)isoquinolin-8-amine;N-(1-ethylsulfonylpiperidin-4-yl)-6-(2-methoxy-1,3-thiazol-5-yl)isoquinolin-8-amine;N-(1-ethylsulfonylpiperidin-4-yl)-6-(1-methylindazol-6-yl)isoquinolin-8-amine;N-(1-ethylsulfonylpiperidin-4-yl)-6-(6-methyl-3-pyridinyl)isoquinolin-8-amine?
6-(5-chloro-3-pyridinyl)-N-(1-ethylsulfonylpiperidin-4-yl)isoquinolin-8-amine;6-(1-ethylpyrazol-4-yl)-N-(1-ethylsulfonylpiperidin-4-yl)isoquinolin-8-amine;N-(1-ethylsulfonylpiperidin-4-yl)-6-(2-methoxy-1,3-thiazol-5-yl)isoquinolin-8-amine;N-(1-ethylsulfonylpiperidin-4-yl)-6-(1-methylindazol-6-yl)isoquinolin-8-amine;N-(1-ethylsulfonylpiperidin-4-yl)-6-(6-methyl-3-pyridinyl)isoquinolin-8-amine has a molecular weight of 2137.20 g/mol, XLogP of 18.96, 27 rotatable bonds, 5 hydrogen bond donors, and 29 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(5-chloro-3-pyridinyl)-N-(1-ethylsulfonylpiperidin-4-yl)isoquinolin-8-amine;6-(1-ethylpyrazol-4-yl)-N-(1-ethylsulfonylpiperidin-4-yl)isoquinolin-8-amine;N-(1-ethylsulfonylpiperidin-4-yl)-6-(2-methoxy-1,3-thiazol-5-yl)isoquinolin-8-amine;N-(1-ethylsulfonylpiperidin-4-yl)-6-(1-methylindazol-6-yl)isoquinolin-8-amine;N-(1-ethylsulfonylpiperidin-4-yl)-6-(6-methyl-3-pyridinyl)isoquinolin-8-amine is sourced from PubChem (CID 160667814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).