3-chloro-N-cyclobutyl-N-methyl-6-(2H-pyrazolo[4,3-b]pyridin-3-ylmethyl)isoquinolin-1-amine;1-[3-(dimethylamino)pyrrolidin-1-yl]-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)isoquinolin-6-amine;N-(2-methoxyethyl)-3-methyl-6-(2H-pyrazolo[4,3-b]pyridin-3-ylmethyl)isoquinolin-1-amine;3-methyl-1-piperidin-1-yl-6-(2H-pyrazolo[4,3-b]pyridin-3-ylmethyl)isoquinoline;3-methyl-6-(2H-pyrazolo[4,3-b]pyridin-3-ylmethyl)-1-pyrrolidin-1-ylisoquinoline;N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-[1,2,4]triazolo[3,4-a]isoquinolin-8-amine

C122H120ClN33O — CID 157274286

About 3-chloro-N-cyclobutyl-N-methyl-6-(2H-pyrazolo[4,3-b]pyridin-3-ylmethyl)isoquinolin-1-amine;1-[3-(dimethylamino)pyrrolidin-1-yl]-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)isoquinolin-6-amine;N-(2-methoxyethyl)-3-methyl-6-(2H-pyrazolo[4,3-b]pyridin-3-ylmethyl)isoquinolin-1-amine;3-methyl-1-piperidin-1-yl-6-(2H-pyrazolo[4,3-b]pyridin-3-ylmethyl)isoquinoline;3-methyl-6-(2H-pyrazolo[4,3-b]pyridin-3-ylmethyl)-1-pyrrolidin-1-ylisoquinoline;N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-[1,2,4]triazolo[3,4-a]isoquinolin-8-amine

3-chloro-N-cyclobutyl-N-methyl-6-(2H-pyrazolo[4,3-b]pyridin-3-ylmethyl)isoquinolin-1-amine;1-[3-(dimethylamino)pyrrolidin-1-yl]-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)isoquinolin-6-amine;N-(2-methoxyethyl)-3-methyl-6-(2H-pyrazolo[4,3-b]pyridin-3-ylmethyl)isoquinolin-1-amine;3-methyl-1-piperidin-1-yl-6-(2H-pyrazolo[4,3-b]pyridin-3-ylmethyl)isoquinoline;3-methyl-6-(2H-pyrazolo[4,3-b]pyridin-3-ylmethyl)-1-pyrrolidin-1-ylisoquinoline;N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-[1,2,4]triazolo[3,4-a]isoquinolin-8-amine (PubChem CID 157274286) has the molecular formula C122H120ClN33O and a molecular weight of 2099.98 g/mol. Its IUPAC name is 3-chloro-N-cyclobutyl-N-methyl-6-(2H-pyrazolo[4,3-b]pyridin-3-ylmethyl)isoquinolin-1-amine;1-[3-(dimethylamino)pyrrolidin-1-yl]-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)isoquinolin-6-amine;N-(2-methoxyethyl)-3-methyl-6-(2H-pyrazolo[4,3-b]pyridin-3-ylmethyl)isoquinolin-1-amine;3-methyl-1-piperidin-1-yl-6-(2H-pyrazolo[4,3-b]pyridin-3-ylmethyl)isoquinoline;3-methyl-6-(2H-pyrazolo[4,3-b]pyridin-3-ylmethyl)-1-pyrrolidin-1-ylisoquinoline;N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-[1,2,4]triazolo[3,4-a]isoquinolin-8-amine.

Molecular Properties

• Compound Name: 3-chloro-N-cyclobutyl-N-methyl-6-(2H-pyrazolo[4,3-b]pyridin-3-ylmethyl)isoquinolin-1-amine;1-[3-(dimethylamino)pyrrolidin-1-yl]-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)isoquinolin-6-amine;N-(2-methoxyethyl)-3-methyl-6-(2H-pyrazolo[4,3-b]pyridin-3-ylmethyl)isoquinolin-1-amine;3-methyl-1-piperidin-1-yl-6-(2H-pyrazolo[4,3-b]pyridin-3-ylmethyl)isoquinoline;3-methyl-6-(2H-pyrazolo[4,3-b]pyridin-3-ylmethyl)-1-pyrrolidin-1-ylisoquinoline;N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-[1,2,4]triazolo[3,4-a]isoquinolin-8-amine
• PubChem CID: 157274286
• Molecular Formula: C122H120ClN33O
• Molecular Weight: 2099.98 g/mol
• Exact Mass: 2098.00
• IUPAC Name: 3-chloro-N-cyclobutyl-N-methyl-6-(2H-pyrazolo[4,3-b]pyridin-3-ylmethyl)isoquinolin-1-amine;1-[3-(dimethylamino)pyrrolidin-1-yl]-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)isoquinolin-6-amine;N-(2-methoxyethyl)-3-methyl-6-(2H-pyrazolo[4,3-b]pyridin-3-ylmethyl)isoquinolin-1-amine;3-methyl-1-piperidin-1-yl-6-(2H-pyrazolo[4,3-b]pyridin-3-ylmethyl)isoquinoline;3-methyl-6-(2H-pyrazolo[4,3-b]pyridin-3-ylmethyl)-1-pyrrolidin-1-ylisoquinoline;N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-[1,2,4]triazolo[3,4-a]isoquinolin-8-amine
• SMILES: CN(C)C1CCN(c2nccc3cc(NC4=NCc5cccnc54)ccc23)C1.CN(c1nc(Cl)cc2cc(Cc3[nH]nc4cccnc34)ccc12)C1CCC1.COCCNc1nc(C)cc2cc(Cc3[nH]nc4cccnc34)ccc12.Cc1cc2cc(Cc3[nH]nc4cccnc34)ccc2c(N2CCCC2)n1.Cc1cc2cc(Cc3[nH]nc4cccnc34)ccc2c(N2CCCCC2)n1.c1cnc2c(Nc3ccc4c(ccn5cnnc45)c3)n[nH]c2c1
• InChI: InChI=1S/C22H24N6.C22H23N5.C21H20ClN5.C21H21N5.C20H21N5O.C16H11N7/c1-27(2)18-8-11-28(14-18)22-19-6-5-17(12-15(19)7-10-24-22)26-21-20-16(13-25-21)4-3-9-23-20;1-15-12-17-13-16(14-20-21-19(25-26-20)6-5-9-23-21)7-8-18(17)22(24-15)27-10-3-2-4-11-27;1-27(15-4-2-5-15)21-16-8-7-13(10-14(16)12-19(22)24-21)11-18-20-17(25-26-18)6-3-9-23-20;1-14-11-16-12-15(13-19-20-18(24-25-19)5-4-8-22-20)6-7-17(16)21(23-14)26-9-2-3-10-26;1-13-10-15-11-14(5-6-16(15)20(23-13)22-8-9-26-2)12-18-19-17(24-25-18)4-3-7-21-19;1-2-13-14(17-6-1)15(21-20-13)19-11-3-4-12-10(8-11)5-7-23-9-18-22-16(12)23/h3-7,9-10,12,18H,8,11,13-14H2,1-2H3,(H,25,26);5-9,12-13H,2-4,10-11,14H2,1H3,(H,25,26);3,6-10,12,15H,2,4-5,11H2,1H3,(H,25,26);4-8,11-12H,2-3,9-10,13H2,1H3,(H,24,25);3-7,10-11H,8-9,12H2,1-2H3,(H,22,23)(H,24,25);1-9H,(H2,19,20,21)
• InChIKey: AYXGGIPPKVOEMW-UHFFFAOYSA-N
• XLogP: 22.64
• TPSA: 389.26 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 29
• Rotatable Bonds: 21
• Heavy Atoms: 157
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2099.98
LogP ≤ 5	22.64
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	29

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-cyclobutyl-N-methyl-6-(2H-pyrazolo[4,3-b]pyridin-3-ylmethyl)isoquinolin-1-amine;1-[3-(dimethylamino)pyrrolidin-1-yl]-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)isoquinolin-6-amine;N-(2-methoxyethyl)-3-methyl-6-(2H-pyrazolo[4,3-b]pyridin-3-ylmethyl)isoquinolin-1-amine;3-methyl-1-piperidin-1-yl-6-(2H-pyrazolo[4,3-b]pyridin-3-ylmethyl)isoquinoline;3-methyl-6-(2H-pyrazolo[4,3-b]pyridin-3-ylmethyl)-1-pyrrolidin-1-ylisoquinoline;N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-[1,2,4]triazolo[3,4-a]isoquinolin-8-amine?

The IUPAC name of 3-chloro-N-cyclobutyl-N-methyl-6-(2H-pyrazolo[4,3-b]pyridin-3-ylmethyl)isoquinolin-1-amine;1-[3-(dimethylamino)pyrrolidin-1-yl]-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)isoquinolin-6-amine;N-(2-methoxyethyl)-3-methyl-6-(2H-pyrazolo[4,3-b]pyridin-3-ylmethyl)isoquinolin-1-amine;3-methyl-1-piperidin-1-yl-6-(2H-pyrazolo[4,3-b]pyridin-3-ylmethyl)isoquinoline;3-methyl-6-(2H-pyrazolo[4,3-b]pyridin-3-ylmethyl)-1-pyrrolidin-1-ylisoquinoline;N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-[1,2,4]triazolo[3,4-a]isoquinolin-8-amine (CID 157274286) is 3-chloro-N-cyclobutyl-N-methyl-6-(2H-pyrazolo[4,3-b]pyridin-3-ylmethyl)isoquinolin-1-amine;1-[3-(dimethylamino)pyrrolidin-1-yl]-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)isoquinolin-6-amine;N-(2-methoxyethyl)-3-methyl-6-(2H-pyrazolo[4,3-b]pyridin-3-ylmethyl)isoquinolin-1-amine;3-methyl-1-piperidin-1-yl-6-(2H-pyrazolo[4,3-b]pyridin-3-ylmethyl)isoquinoline;3-methyl-6-(2H-pyrazolo[4,3-b]pyridin-3-ylmethyl)-1-pyrrolidin-1-ylisoquinoline;N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-[1,2,4]triazolo[3,4-a]isoquinolin-8-amine.

What is the SMILES notation for 3-chloro-N-cyclobutyl-N-methyl-6-(2H-pyrazolo[4,3-b]pyridin-3-ylmethyl)isoquinolin-1-amine;1-[3-(dimethylamino)pyrrolidin-1-yl]-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)isoquinolin-6-amine;N-(2-methoxyethyl)-3-methyl-6-(2H-pyrazolo[4,3-b]pyridin-3-ylmethyl)isoquinolin-1-amine;3-methyl-1-piperidin-1-yl-6-(2H-pyrazolo[4,3-b]pyridin-3-ylmethyl)isoquinoline;3-methyl-6-(2H-pyrazolo[4,3-b]pyridin-3-ylmethyl)-1-pyrrolidin-1-ylisoquinoline;N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-[1,2,4]triazolo[3,4-a]isoquinolin-8-amine?

The canonical SMILES for 3-chloro-N-cyclobutyl-N-methyl-6-(2H-pyrazolo[4,3-b]pyridin-3-ylmethyl)isoquinolin-1-amine;1-[3-(dimethylamino)pyrrolidin-1-yl]-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)isoquinolin-6-amine;N-(2-methoxyethyl)-3-methyl-6-(2H-pyrazolo[4,3-b]pyridin-3-ylmethyl)isoquinolin-1-amine;3-methyl-1-piperidin-1-yl-6-(2H-pyrazolo[4,3-b]pyridin-3-ylmethyl)isoquinoline;3-methyl-6-(2H-pyrazolo[4,3-b]pyridin-3-ylmethyl)-1-pyrrolidin-1-ylisoquinoline;N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-[1,2,4]triazolo[3,4-a]isoquinolin-8-amine is CN(C)C1CCN(c2nccc3cc(NC4=NCc5cccnc54)ccc23)C1.CN(c1nc(Cl)cc2cc(Cc3[nH]nc4cccnc34)ccc12)C1CCC1.COCCNc1nc(C)cc2cc(Cc3[nH]nc4cccnc34)ccc12.Cc1cc2cc(Cc3[nH]nc4cccnc34)ccc2c(N2CCCC2)n1.Cc1cc2cc(Cc3[nH]nc4cccnc34)ccc2c(N2CCCCC2)n1.c1cnc2c(Nc3ccc4c(ccn5cnnc45)c3)n[nH]c2c1.

What is the InChIKey of 3-chloro-N-cyclobutyl-N-methyl-6-(2H-pyrazolo[4,3-b]pyridin-3-ylmethyl)isoquinolin-1-amine;1-[3-(dimethylamino)pyrrolidin-1-yl]-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)isoquinolin-6-amine;N-(2-methoxyethyl)-3-methyl-6-(2H-pyrazolo[4,3-b]pyridin-3-ylmethyl)isoquinolin-1-amine;3-methyl-1-piperidin-1-yl-6-(2H-pyrazolo[4,3-b]pyridin-3-ylmethyl)isoquinoline;3-methyl-6-(2H-pyrazolo[4,3-b]pyridin-3-ylmethyl)-1-pyrrolidin-1-ylisoquinoline;N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-[1,2,4]triazolo[3,4-a]isoquinolin-8-amine?

The InChIKey is AYXGGIPPKVOEMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N6.C22H23N5.C21H20ClN5.C21H21N5.C20H21N5O.C16H11N7/c1-27(2)18-8-11-28(14-18)22-19-6-5-17(12-15(19)7-10-24-22)26-21-20-16(13-25-21)4-3-9-23-20;1-15-12-17-13-16(14-20-21-19(25-26-20)6-5-9-23-21)7-8-18(17)22(24-15)27-10-3-2-4-11-27;1-27(15-4-2-5-15)21-16-8-7-13(10-14(16)12-19(22)24-21)11-18-20-17(25-26-18)6-3-9-23-20;1-14-11-16-12-15(13-19-20-18(24-25-19)5-4-8-22-20)6-7-17(16)21(23-14)26-9-2-3-10-26;1-13-10-15-11-14(5-6-16(15)20(23-13)22-8-9-26-2)12-18-19-17(24-25-18)4-3-7-21-19;1-2-13-14(17-6-1)15(21-20-13)19-11-3-4-12-10(8-11)5-7-23-9-18-22-16(12)23/h3-7,9-10,12,18H,8,11,13-14H2,1-2H3,(H,25,26);5-9,12-13H,2-4,10-11,14H2,1H3,(H,25,26);3,6-10,12,15H,2,4-5,11H2,1H3,(H,25,26);4-8,11-12H,2-3,9-10,13H2,1H3,(H,24,25);3-7,10-11H,8-9,12H2,1-2H3,(H,22,23)(H,24,25);1-9H,(H2,19,20,21).

What are the key properties of 3-chloro-N-cyclobutyl-N-methyl-6-(2H-pyrazolo[4,3-b]pyridin-3-ylmethyl)isoquinolin-1-amine;1-[3-(dimethylamino)pyrrolidin-1-yl]-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)isoquinolin-6-amine;N-(2-methoxyethyl)-3-methyl-6-(2H-pyrazolo[4,3-b]pyridin-3-ylmethyl)isoquinolin-1-amine;3-methyl-1-piperidin-1-yl-6-(2H-pyrazolo[4,3-b]pyridin-3-ylmethyl)isoquinoline;3-methyl-6-(2H-pyrazolo[4,3-b]pyridin-3-ylmethyl)-1-pyrrolidin-1-ylisoquinoline;N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-[1,2,4]triazolo[3,4-a]isoquinolin-8-amine?

3-chloro-N-cyclobutyl-N-methyl-6-(2H-pyrazolo[4,3-b]pyridin-3-ylmethyl)isoquinolin-1-amine;1-[3-(dimethylamino)pyrrolidin-1-yl]-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)isoquinolin-6-amine;N-(2-methoxyethyl)-3-methyl-6-(2H-pyrazolo[4,3-b]pyridin-3-ylmethyl)isoquinolin-1-amine;3-methyl-1-piperidin-1-yl-6-(2H-pyrazolo[4,3-b]pyridin-3-ylmethyl)isoquinoline;3-methyl-6-(2H-pyrazolo[4,3-b]pyridin-3-ylmethyl)-1-pyrrolidin-1-ylisoquinoline;N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-[1,2,4]triazolo[3,4-a]isoquinolin-8-amine has a molecular weight of 2099.98 g/mol, XLogP of 22.64, 21 rotatable bonds, 8 hydrogen bond donors, and 29 hydrogen bond acceptors.

Where does this data come from?

All data for 3-chloro-N-cyclobutyl-N-methyl-6-(2H-pyrazolo[4,3-b]pyridin-3-ylmethyl)isoquinolin-1-amine;1-[3-(dimethylamino)pyrrolidin-1-yl]-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)isoquinolin-6-amine;N-(2-methoxyethyl)-3-methyl-6-(2H-pyrazolo[4,3-b]pyridin-3-ylmethyl)isoquinolin-1-amine;3-methyl-1-piperidin-1-yl-6-(2H-pyrazolo[4,3-b]pyridin-3-ylmethyl)isoquinoline;3-methyl-6-(2H-pyrazolo[4,3-b]pyridin-3-ylmethyl)-1-pyrrolidin-1-ylisoquinoline;N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-[1,2,4]triazolo[3,4-a]isoquinolin-8-amine is sourced from PubChem (CID 157274286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).