6-(1,3-dimethylindazol-5-yl)-N-(1-methylsulfonylpiperidin-4-yl)isoquinolin-8-amine;6-[3-ethanimidoyl-4-(methylamino)phenyl]-N-(1-ethylsulfonylpiperidin-4-yl)isoquinolin-8-amine;6-(1-ethylindazol-5-yl)-N-(1-ethylsulfonylpiperidin-4-yl)isoquinolin-8-amine;6-(1-ethylindazol-5-yl)-N-(1-methylsulfonylpiperidin-4-yl)isoquinolin-8-amine;6-(2-ethyl-4-pyridinyl)-N-(1-ethylsulfonylpiperidin-4-yl)isoquinolin-8-amine

C121H142N24O10S5 — CID 161001267

IUPAC6-(1,3-dimethylindazol-5-yl)-N-(1-methylsulfonylpiperidin-4-yl)isoquinolin-8-amine;6-[3-ethanimidoyl-4-(methylamino)phenyl]-N-(1-ethylsulfonylpiperidin-4-yl)isoquinolin-8-amine;6-(1-ethylindazol-5-yl)-N-(1-ethylsulfonylpiperidin-4-yl)isoquinolin-8-amine;6-(1-ethylindazol-5-yl)-N-(1-methylsulfonylpiperidin-4-yl)isoquinolin-8-amine;6-(2-ethyl-4-pyridinyl)-N-(1-ethylsulfonylpiperidin-4-yl)isoquinolin-8-amine
SMILESCCc1cc(-c2cc(NC3CCN(S(=O)(=O)CC)CC3)c3cnccc3c2)ccn1.CCn1ncc2cc(-c3cc(NC4CCN(S(=O)(=O)CC)CC4)c4cnccc4c3)ccc21.CCn1ncc2cc(-c3cc(NC4CCN(S(C)(=O)=O)CC4)c4cnccc4c3)ccc21.Cc1nn(C)c2ccc(-c3cc(NC4CCN(S(C)(=O)=O)CC4)c4cnccc4c3)cc12.[H]/N=C(\C)c1cc(-c2cc(NC3CCN(S(=O)(=O)CC)CC3)c3cnccc3c2)ccc1NC
InChIInChI=1S/C25H29N5O2S.C25H31N5O2S.2C24H27N5O2S.C23H28N4O2S/c1-3-30-25-6-5-18(13-21(25)16-27-30)20-14-19-7-10-26-17-23(19)24(15-20)28-22-8-11-29(12-9-22)33(31,32)4-2;1-4-33(31,32)30-11-8-21(9-12-30)29-25-15-20(13-19-7-10-28-16-23(19)25)18-5-6-24(27-3)22(14-18)17(2)26;1-16-21-13-17(4-5-24(21)28(2)27-16)19-12-18-6-9-25-15-22(18)23(14-19)26-20-7-10-29(11-8-20)32(3,30)31;1-3-29-24-5-4-17(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;1-3-20-14-17(6-10-25-20)19-13-18-5-9-24-16-22(18)23(15-19)26-21-7-11-27(12-8-21)30(28,29)4-2/h5-7,10,13-17,22,28H,3-4,8-9,11-12H2,1-2H3;5-7,10,13-16,21,26-27,29H,4,8-9,11-12H2,1-3H3;4-6,9,12-15,20,26H,7-8,10-11H2,1-3H3;4-6,9,12-16,21,27H,3,7-8,10-11H2,1-2H3;5-6,9-10,13-16,21,26H,3-4,7-8,11-12H2,1-2H3/b;26-17+;;;
InChIKeyTVXIEDDKIJZABJ-QBDZJGEPSA-N
MW2252.96 g/mol
LogP21.18
Rot. Bonds28

About 6-(1,3-dimethylindazol-5-yl)-N-(1-methylsulfonylpiperidin-4-yl)isoquinolin-8-amine;6-[3-ethanimidoyl-4-(methylamino)phenyl]-N-(1-ethylsulfonylpiperidin-4-yl)isoquinolin-8-amine;6-(1-ethylindazol-5-yl)-N-(1-ethylsulfonylpiperidin-4-yl)isoquinolin-8-amine;6-(1-ethylindazol-5-yl)-N-(1-methylsulfonylpiperidin-4-yl)isoquinolin-8-amine;6-(2-ethyl-4-pyridinyl)-N-(1-ethylsulfonylpiperidin-4-yl)isoquinolin-8-amine

6-(1,3-dimethylindazol-5-yl)-N-(1-methylsulfonylpiperidin-4-yl)isoquinolin-8-amine;6-[3-ethanimidoyl-4-(methylamino)phenyl]-N-(1-ethylsulfonylpiperidin-4-yl)isoquinolin-8-amine;6-(1-ethylindazol-5-yl)-N-(1-ethylsulfonylpiperidin-4-yl)isoquinolin-8-amine;6-(1-ethylindazol-5-yl)-N-(1-methylsulfonylpiperidin-4-yl)isoquinolin-8-amine;6-(2-ethyl-4-pyridinyl)-N-(1-ethylsulfonylpiperidin-4-yl)isoquinolin-8-amine (PubChem CID 161001267) has the molecular formula C121H142N24O10S5 and a molecular weight of 2252.96 g/mol. Its IUPAC name is 6-(1,3-dimethylindazol-5-yl)-N-(1-methylsulfonylpiperidin-4-yl)isoquinolin-8-amine;6-[3-ethanimidoyl-4-(methylamino)phenyl]-N-(1-ethylsulfonylpiperidin-4-yl)isoquinolin-8-amine;6-(1-ethylindazol-5-yl)-N-(1-ethylsulfonylpiperidin-4-yl)isoquinolin-8-amine;6-(1-ethylindazol-5-yl)-N-(1-methylsulfonylpiperidin-4-yl)isoquinolin-8-amine;6-(2-ethyl-4-pyridinyl)-N-(1-ethylsulfonylpiperidin-4-yl)isoquinolin-8-amine.

Molecular Properties

Compound Name6-(1,3-dimethylindazol-5-yl)-N-(1-methylsulfonylpiperidin-4-yl)isoquinolin-8-amine;6-[3-ethanimidoyl-4-(methylamino)phenyl]-N-(1-ethylsulfonylpiperidin-4-yl)isoquinolin-8-amine;6-(1-ethylindazol-5-yl)-N-(1-ethylsulfonylpiperidin-4-yl)isoquinolin-8-amine;6-(1-ethylindazol-5-yl)-N-(1-methylsulfonylpiperidin-4-yl)isoquinolin-8-amine;6-(2-ethyl-4-pyridinyl)-N-(1-ethylsulfonylpiperidin-4-yl)isoquinolin-8-amine
PubChem CID161001267
Molecular FormulaC121H142N24O10S5
Molecular Weight2252.96 g/mol
Exact Mass2250.99
IUPAC Name6-(1,3-dimethylindazol-5-yl)-N-(1-methylsulfonylpiperidin-4-yl)isoquinolin-8-amine;6-[3-ethanimidoyl-4-(methylamino)phenyl]-N-(1-ethylsulfonylpiperidin-4-yl)isoquinolin-8-amine;6-(1-ethylindazol-5-yl)-N-(1-ethylsulfonylpiperidin-4-yl)isoquinolin-8-amine;6-(1-ethylindazol-5-yl)-N-(1-methylsulfonylpiperidin-4-yl)isoquinolin-8-amine;6-(2-ethyl-4-pyridinyl)-N-(1-ethylsulfonylpiperidin-4-yl)isoquinolin-8-amine
SMILESCCc1cc(-c2cc(NC3CCN(S(=O)(=O)CC)CC3)c3cnccc3c2)ccn1.CCn1ncc2cc(-c3cc(NC4CCN(S(=O)(=O)CC)CC4)c4cnccc4c3)ccc21.CCn1ncc2cc(-c3cc(NC4CCN(S(C)(=O)=O)CC4)c4cnccc4c3)ccc21.Cc1nn(C)c2ccc(-c3cc(NC4CCN(S(C)(=O)=O)CC4)c4cnccc4c3)cc12.[H]/N=C(\C)c1cc(-c2cc(NC3CCN(S(=O)(=O)CC)CC3)c3cnccc3c2)ccc1NC
InChIInChI=1S/C25H29N5O2S.C25H31N5O2S.2C24H27N5O2S.C23H28N4O2S/c1-3-30-25-6-5-18(13-21(25)16-27-30)20-14-19-7-10-26-17-23(19)24(15-20)28-22-8-11-29(12-9-22)33(31,32)4-2;1-4-33(31,32)30-11-8-21(9-12-30)29-25-15-20(13-19-7-10-28-16-23(19)25)18-5-6-24(27-3)22(14-18)17(2)26;1-16-21-13-17(4-5-24(21)28(2)27-16)19-12-18-6-9-25-15-22(18)23(14-19)26-20-7-10-29(11-8-20)32(3,30)31;1-3-29-24-5-4-17(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;1-3-20-14-17(6-10-25-20)19-13-18-5-9-24-16-22(18)23(15-19)26-21-7-11-27(12-8-21)30(28,29)4-2/h5-7,10,13-17,22,28H,3-4,8-9,11-12H2,1-2H3;5-7,10,13-16,21,26-27,29H,4,8-9,11-12H2,1-3H3;4-6,9,12-15,20,26H,7-8,10-11H2,1-3H3;4-6,9,12-16,21,27H,3,7-8,10-11H2,1-2H3;5-6,9-10,13-16,21,26H,3-4,7-8,11-12H2,1-2H3/b;26-17+;;;
InChIKeyTVXIEDDKIJZABJ-QBDZJGEPSA-N
XLogP21.18
TPSA413.73 Ų
H-Bond Donors7
H-Bond Acceptors29
Rotatable Bonds28
Heavy Atoms160
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002252.96
LogP ≤ 521.18
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1029

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 6-(1,3-dimethylindazol-5-yl)-N-(1-methylsulfonylpiperidin-4-yl)isoquinolin-8-amine;6-[3-ethanimidoyl-4-(methylamino)phenyl]-N-(1-ethylsulfonylpiperidin-4-yl)isoquinolin-8-amine;6-(1-ethylindazol-5-yl)-N-(1-ethylsulfonylpiperidin-4-yl)isoquinolin-8-amine;6-(1-ethylindazol-5-yl)-N-(1-methylsulfonylpiperidin-4-yl)isoquinolin-8-amine;6-(2-ethyl-4-pyridinyl)-N-(1-ethylsulfonylpiperidin-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 6-(1,3-dimethylindazol-5-yl)-N-(1-methylsulfonylpiperidin-4-yl)isoquinolin-8-amine;6-[3-ethanimidoyl-4-(methylamino)phenyl]-N-(1-ethylsulfonylpiperidin-4-yl)isoquinolin-8-amine;6-(1-ethylindazol-5-yl)-N-(1-ethylsulfonylpiperidin-4-yl)isoquinolin-8-amine;6-(1-ethylindazol-5-yl)-N-(1-methylsulfonylpiperidin-4-yl)isoquinolin-8-amine;6-(2-ethyl-4-pyridinyl)-N-(1-ethylsulfonylpiperidin-4-yl)isoquinolin-8-amine?
The IUPAC name of 6-(1,3-dimethylindazol-5-yl)-N-(1-methylsulfonylpiperidin-4-yl)isoquinolin-8-amine;6-[3-ethanimidoyl-4-(methylamino)phenyl]-N-(1-ethylsulfonylpiperidin-4-yl)isoquinolin-8-amine;6-(1-ethylindazol-5-yl)-N-(1-ethylsulfonylpiperidin-4-yl)isoquinolin-8-amine;6-(1-ethylindazol-5-yl)-N-(1-methylsulfonylpiperidin-4-yl)isoquinolin-8-amine;6-(2-ethyl-4-pyridinyl)-N-(1-ethylsulfonylpiperidin-4-yl)isoquinolin-8-amine (CID 161001267) is 6-(1,3-dimethylindazol-5-yl)-N-(1-methylsulfonylpiperidin-4-yl)isoquinolin-8-amine;6-[3-ethanimidoyl-4-(methylamino)phenyl]-N-(1-ethylsulfonylpiperidin-4-yl)isoquinolin-8-amine;6-(1-ethylindazol-5-yl)-N-(1-ethylsulfonylpiperidin-4-yl)isoquinolin-8-amine;6-(1-ethylindazol-5-yl)-N-(1-methylsulfonylpiperidin-4-yl)isoquinolin-8-amine;6-(2-ethyl-4-pyridinyl)-N-(1-ethylsulfonylpiperidin-4-yl)isoquinolin-8-amine.
What is the SMILES notation for 6-(1,3-dimethylindazol-5-yl)-N-(1-methylsulfonylpiperidin-4-yl)isoquinolin-8-amine;6-[3-ethanimidoyl-4-(methylamino)phenyl]-N-(1-ethylsulfonylpiperidin-4-yl)isoquinolin-8-amine;6-(1-ethylindazol-5-yl)-N-(1-ethylsulfonylpiperidin-4-yl)isoquinolin-8-amine;6-(1-ethylindazol-5-yl)-N-(1-methylsulfonylpiperidin-4-yl)isoquinolin-8-amine;6-(2-ethyl-4-pyridinyl)-N-(1-ethylsulfonylpiperidin-4-yl)isoquinolin-8-amine?
The canonical SMILES for 6-(1,3-dimethylindazol-5-yl)-N-(1-methylsulfonylpiperidin-4-yl)isoquinolin-8-amine;6-[3-ethanimidoyl-4-(methylamino)phenyl]-N-(1-ethylsulfonylpiperidin-4-yl)isoquinolin-8-amine;6-(1-ethylindazol-5-yl)-N-(1-ethylsulfonylpiperidin-4-yl)isoquinolin-8-amine;6-(1-ethylindazol-5-yl)-N-(1-methylsulfonylpiperidin-4-yl)isoquinolin-8-amine;6-(2-ethyl-4-pyridinyl)-N-(1-ethylsulfonylpiperidin-4-yl)isoquinolin-8-amine is CCc1cc(-c2cc(NC3CCN(S(=O)(=O)CC)CC3)c3cnccc3c2)ccn1.CCn1ncc2cc(-c3cc(NC4CCN(S(=O)(=O)CC)CC4)c4cnccc4c3)ccc21.CCn1ncc2cc(-c3cc(NC4CCN(S(C)(=O)=O)CC4)c4cnccc4c3)ccc21.Cc1nn(C)c2ccc(-c3cc(NC4CCN(S(C)(=O)=O)CC4)c4cnccc4c3)cc12.[H]/N=C(\C)c1cc(-c2cc(NC3CCN(S(=O)(=O)CC)CC3)c3cnccc3c2)ccc1NC.
What is the InChIKey of 6-(1,3-dimethylindazol-5-yl)-N-(1-methylsulfonylpiperidin-4-yl)isoquinolin-8-amine;6-[3-ethanimidoyl-4-(methylamino)phenyl]-N-(1-ethylsulfonylpiperidin-4-yl)isoquinolin-8-amine;6-(1-ethylindazol-5-yl)-N-(1-ethylsulfonylpiperidin-4-yl)isoquinolin-8-amine;6-(1-ethylindazol-5-yl)-N-(1-methylsulfonylpiperidin-4-yl)isoquinolin-8-amine;6-(2-ethyl-4-pyridinyl)-N-(1-ethylsulfonylpiperidin-4-yl)isoquinolin-8-amine?
The InChIKey is TVXIEDDKIJZABJ-QBDZJGEPSA-N. The full InChI is InChI=1S/C25H29N5O2S.C25H31N5O2S.2C24H27N5O2S.C23H28N4O2S/c1-3-30-25-6-5-18(13-21(25)16-27-30)20-14-19-7-10-26-17-23(19)24(15-20)28-22-8-11-29(12-9-22)33(31,32)4-2;1-4-33(31,32)30-11-8-21(9-12-30)29-25-15-20(13-19-7-10-28-16-23(19)25)18-5-6-24(27-3)22(14-18)17(2)26;1-16-21-13-17(4-5-24(21)28(2)27-16)19-12-18-6-9-25-15-22(18)23(14-19)26-20-7-10-29(11-8-20)32(3,30)31;1-3-29-24-5-4-17(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;1-3-20-14-17(6-10-25-20)19-13-18-5-9-24-16-22(18)23(15-19)26-21-7-11-27(12-8-21)30(28,29)4-2/h5-7,10,13-17,22,28H,3-4,8-9,11-12H2,1-2H3;5-7,10,13-16,21,26-27,29H,4,8-9,11-12H2,1-3H3;4-6,9,12-15,20,26H,7-8,10-11H2,1-3H3;4-6,9,12-16,21,27H,3,7-8,10-11H2,1-2H3;5-6,9-10,13-16,21,26H,3-4,7-8,11-12H2,1-2H3/b;26-17+;;;.
What are the key properties of 6-(1,3-dimethylindazol-5-yl)-N-(1-methylsulfonylpiperidin-4-yl)isoquinolin-8-amine;6-[3-ethanimidoyl-4-(methylamino)phenyl]-N-(1-ethylsulfonylpiperidin-4-yl)isoquinolin-8-amine;6-(1-ethylindazol-5-yl)-N-(1-ethylsulfonylpiperidin-4-yl)isoquinolin-8-amine;6-(1-ethylindazol-5-yl)-N-(1-methylsulfonylpiperidin-4-yl)isoquinolin-8-amine;6-(2-ethyl-4-pyridinyl)-N-(1-ethylsulfonylpiperidin-4-yl)isoquinolin-8-amine?
6-(1,3-dimethylindazol-5-yl)-N-(1-methylsulfonylpiperidin-4-yl)isoquinolin-8-amine;6-[3-ethanimidoyl-4-(methylamino)phenyl]-N-(1-ethylsulfonylpiperidin-4-yl)isoquinolin-8-amine;6-(1-ethylindazol-5-yl)-N-(1-ethylsulfonylpiperidin-4-yl)isoquinolin-8-amine;6-(1-ethylindazol-5-yl)-N-(1-methylsulfonylpiperidin-4-yl)isoquinolin-8-amine;6-(2-ethyl-4-pyridinyl)-N-(1-ethylsulfonylpiperidin-4-yl)isoquinolin-8-amine has a molecular weight of 2252.96 g/mol, XLogP of 21.18, 28 rotatable bonds, 7 hydrogen bond donors, and 29 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1,3-dimethylindazol-5-yl)-N-(1-methylsulfonylpiperidin-4-yl)isoquinolin-8-amine;6-[3-ethanimidoyl-4-(methylamino)phenyl]-N-(1-ethylsulfonylpiperidin-4-yl)isoquinolin-8-amine;6-(1-ethylindazol-5-yl)-N-(1-ethylsulfonylpiperidin-4-yl)isoquinolin-8-amine;6-(1-ethylindazol-5-yl)-N-(1-methylsulfonylpiperidin-4-yl)isoquinolin-8-amine;6-(2-ethyl-4-pyridinyl)-N-(1-ethylsulfonylpiperidin-4-yl)isoquinolin-8-amine is sourced from PubChem (CID 161001267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).