1-N-ethyl-1-N-methyl-6-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinoline-1,6-diamine;1-(2-methylphenoxy)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine;1-(4-methylphenoxy)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine;1-methyl-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine;N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1-pyrazol-1-ylisoquinolin-6-amine

C96H78N28O2 — CID 158015929

About 1-N-ethyl-1-N-methyl-6-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinoline-1,6-diamine;1-(2-methylphenoxy)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine;1-(4-methylphenoxy)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine;1-methyl-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine;N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1-pyrazol-1-ylisoquinolin-6-amine

1-N-ethyl-1-N-methyl-6-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinoline-1,6-diamine;1-(2-methylphenoxy)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine;1-(4-methylphenoxy)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine;1-methyl-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine;N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1-pyrazol-1-ylisoquinolin-6-amine (PubChem CID 158015929) has the molecular formula C96H78N28O2 and a molecular weight of 1655.87 g/mol. Its IUPAC name is 1-N-ethyl-1-N-methyl-6-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinoline-1,6-diamine;1-(2-methylphenoxy)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine;1-(4-methylphenoxy)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine;1-methyl-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine;N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1-pyrazol-1-ylisoquinolin-6-amine.

Molecular Properties

• Compound Name: 1-N-ethyl-1-N-methyl-6-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinoline-1,6-diamine;1-(2-methylphenoxy)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine;1-(4-methylphenoxy)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine;1-methyl-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine;N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1-pyrazol-1-ylisoquinolin-6-amine
• PubChem CID: 158015929
• Molecular Formula: C96H78N28O2
• Molecular Weight: 1655.87 g/mol
• Exact Mass: 1654.69
• IUPAC Name: 1-N-ethyl-1-N-methyl-6-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinoline-1,6-diamine;1-(2-methylphenoxy)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine;1-(4-methylphenoxy)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine;1-methyl-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine;N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1-pyrazol-1-ylisoquinolin-6-amine
• SMILES: CCN(C)c1nccc2cc(Nc3n[nH]c4cccnc34)ccc12.Cc1ccc(Oc2nccc3cc(Nc4n[nH]c5cccnc45)ccc23)cc1.Cc1ccccc1Oc1nccc2cc(Nc3n[nH]c4cccnc34)ccc12.Cc1nccc2cc(Nc3n[nH]c4cccnc34)ccc12.c1cnc2c(Nc3ccc4c(-n5cccn5)nccc4c3)n[nH]c2c1
• InChI: InChI=1S/2C22H17N5O.C18H13N7.C18H18N6.C16H13N5/c1-14-4-7-17(8-5-14)28-22-18-9-6-16(13-15(18)10-12-24-22)25-21-20-19(26-27-21)3-2-11-23-20;1-14-5-2-3-7-19(14)28-22-17-9-8-16(13-15(17)10-12-24-22)25-21-20-18(26-27-21)6-4-11-23-20;1-3-15-16(19-7-1)17(24-23-15)22-13-4-5-14-12(11-13)6-9-20-18(14)25-10-2-8-21-25;1-3-24(2)18-14-7-6-13(11-12(14)8-10-20-18)21-17-16-15(22-23-17)5-4-9-19-16;1-10-13-5-4-12(9-11(13)6-8-17-10)19-16-15-14(20-21-16)3-2-7-18-15/h2*2-13H,1H3,(H2,25,26,27);1-11H,(H2,22,23,24);4-11H,3H2,1-2H3,(H2,21,22,23);2-9H,1H3,(H2,19,20,21)
• InChIKey: FFLODLVPRWMYPO-UHFFFAOYSA-N
• XLogP: 21.40
• TPSA: 371.97 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 25
• Rotatable Bonds: 17
• Heavy Atoms: 126
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1655.87
LogP ≤ 5	21.40
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	25

Frequently Asked Questions

What is the IUPAC name of 1-N-ethyl-1-N-methyl-6-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinoline-1,6-diamine;1-(2-methylphenoxy)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine;1-(4-methylphenoxy)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine;1-methyl-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine;N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1-pyrazol-1-ylisoquinolin-6-amine?

The IUPAC name of 1-N-ethyl-1-N-methyl-6-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinoline-1,6-diamine;1-(2-methylphenoxy)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine;1-(4-methylphenoxy)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine;1-methyl-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine;N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1-pyrazol-1-ylisoquinolin-6-amine (CID 158015929) is 1-N-ethyl-1-N-methyl-6-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinoline-1,6-diamine;1-(2-methylphenoxy)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine;1-(4-methylphenoxy)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine;1-methyl-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine;N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1-pyrazol-1-ylisoquinolin-6-amine.

What is the SMILES notation for 1-N-ethyl-1-N-methyl-6-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinoline-1,6-diamine;1-(2-methylphenoxy)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine;1-(4-methylphenoxy)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine;1-methyl-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine;N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1-pyrazol-1-ylisoquinolin-6-amine?

The canonical SMILES for 1-N-ethyl-1-N-methyl-6-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinoline-1,6-diamine;1-(2-methylphenoxy)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine;1-(4-methylphenoxy)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine;1-methyl-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine;N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1-pyrazol-1-ylisoquinolin-6-amine is CCN(C)c1nccc2cc(Nc3n[nH]c4cccnc34)ccc12.Cc1ccc(Oc2nccc3cc(Nc4n[nH]c5cccnc45)ccc23)cc1.Cc1ccccc1Oc1nccc2cc(Nc3n[nH]c4cccnc34)ccc12.Cc1nccc2cc(Nc3n[nH]c4cccnc34)ccc12.c1cnc2c(Nc3ccc4c(-n5cccn5)nccc4c3)n[nH]c2c1.

What is the InChIKey of 1-N-ethyl-1-N-methyl-6-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinoline-1,6-diamine;1-(2-methylphenoxy)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine;1-(4-methylphenoxy)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine;1-methyl-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine;N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1-pyrazol-1-ylisoquinolin-6-amine?

The InChIKey is FFLODLVPRWMYPO-UHFFFAOYSA-N. The full InChI is InChI=1S/2C22H17N5O.C18H13N7.C18H18N6.C16H13N5/c1-14-4-7-17(8-5-14)28-22-18-9-6-16(13-15(18)10-12-24-22)25-21-20-19(26-27-21)3-2-11-23-20;1-14-5-2-3-7-19(14)28-22-17-9-8-16(13-15(17)10-12-24-22)25-21-20-18(26-27-21)6-4-11-23-20;1-3-15-16(19-7-1)17(24-23-15)22-13-4-5-14-12(11-13)6-9-20-18(14)25-10-2-8-21-25;1-3-24(2)18-14-7-6-13(11-12(14)8-10-20-18)21-17-16-15(22-23-17)5-4-9-19-16;1-10-13-5-4-12(9-11(13)6-8-17-10)19-16-15-14(20-21-16)3-2-7-18-15/h2*2-13H,1H3,(H2,25,26,27);1-11H,(H2,22,23,24);4-11H,3H2,1-2H3,(H2,21,22,23);2-9H,1H3,(H2,19,20,21).

What are the key properties of 1-N-ethyl-1-N-methyl-6-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinoline-1,6-diamine;1-(2-methylphenoxy)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine;1-(4-methylphenoxy)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine;1-methyl-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine;N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1-pyrazol-1-ylisoquinolin-6-amine?

1-N-ethyl-1-N-methyl-6-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinoline-1,6-diamine;1-(2-methylphenoxy)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine;1-(4-methylphenoxy)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine;1-methyl-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine;N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1-pyrazol-1-ylisoquinolin-6-amine has a molecular weight of 1655.87 g/mol, XLogP of 21.40, 17 rotatable bonds, 10 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for 1-N-ethyl-1-N-methyl-6-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinoline-1,6-diamine;1-(2-methylphenoxy)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine;1-(4-methylphenoxy)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine;1-methyl-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine;N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1-pyrazol-1-ylisoquinolin-6-amine is sourced from PubChem (CID 158015929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).