3-[[5-(difluoromethyl)naphthalen-2-yl]methyl]-2H-pyrazolo[3,4-b]pyridine;3-[[5-(difluoromethyl)naphthalen-2-yl]methyl]-2H-pyrazolo[4,3-b]pyridine;1,3-dimethyl-6-(2H-pyrazolo[4,3-b]pyridin-3-ylmethyl)isoquinoline;1-ethenyl-3-methyl-6-(2H-pyrazolo[4,3-b]pyridin-3-ylmethyl)isoquinoline;3-methyl-1-prop-2-enyl-6-(2H-pyrazolo[4,3-b]pyridin-3-ylmethyl)isoquinoline;3-methyl-6-(2H-pyrazolo[4,3-b]pyridin-3-ylmethyl)-1-pyrazol-1-ylisoquinoline;3-methyl-6-(2H-pyrazolo[4,3-b]pyridin-3-ylmethyl)-1-(1,1,1-trifluoropropan-2-yl)isoquinoline;3-methyl-6-(2H-pyrazolo[4,3-b]pyridin-3-ylmethyl)-1-(3,3,3-trifluoroprop-1-en-2-yl)isoquinoline

C153H124F10N32 — CID 159777826

About 3-[[5-(difluoromethyl)naphthalen-2-yl]methyl]-2H-pyrazolo[3,4-b]pyridine;3-[[5-(difluoromethyl)naphthalen-2-yl]methyl]-2H-pyrazolo[4,3-b]pyridine;1,3-dimethyl-6-(2H-pyrazolo[4,3-b]pyridin-3-ylmethyl)isoquinoline;1-ethenyl-3-methyl-6-(2H-pyrazolo[4,3-b]pyridin-3-ylmethyl)isoquinoline;3-methyl-1-prop-2-enyl-6-(2H-pyrazolo[4,3-b]pyridin-3-ylmethyl)isoquinoline;3-methyl-6-(2H-pyrazolo[4,3-b]pyridin-3-ylmethyl)-1-pyrazol-1-ylisoquinoline;3-methyl-6-(2H-pyrazolo[4,3-b]pyridin-3-ylmethyl)-1-(1,1,1-trifluoropropan-2-yl)isoquinoline;3-methyl-6-(2H-pyrazolo[4,3-b]pyridin-3-ylmethyl)-1-(3,3,3-trifluoroprop-1-en-2-yl)isoquinoline

3-[[5-(difluoromethyl)naphthalen-2-yl]methyl]-2H-pyrazolo[3,4-b]pyridine;3-[[5-(difluoromethyl)naphthalen-2-yl]methyl]-2H-pyrazolo[4,3-b]pyridine;1,3-dimethyl-6-(2H-pyrazolo[4,3-b]pyridin-3-ylmethyl)isoquinoline;1-ethenyl-3-methyl-6-(2H-pyrazolo[4,3-b]pyridin-3-ylmethyl)isoquinoline;3-methyl-1-prop-2-enyl-6-(2H-pyrazolo[4,3-b]pyridin-3-ylmethyl)isoquinoline;3-methyl-6-(2H-pyrazolo[4,3-b]pyridin-3-ylmethyl)-1-pyrazol-1-ylisoquinoline;3-methyl-6-(2H-pyrazolo[4,3-b]pyridin-3-ylmethyl)-1-(1,1,1-trifluoropropan-2-yl)isoquinoline;3-methyl-6-(2H-pyrazolo[4,3-b]pyridin-3-ylmethyl)-1-(3,3,3-trifluoroprop-1-en-2-yl)isoquinoline (PubChem CID 159777826) has the molecular formula C153H124F10N32 and a molecular weight of 2600.88 g/mol. Its IUPAC name is 3-[[5-(difluoromethyl)naphthalen-2-yl]methyl]-2H-pyrazolo[3,4-b]pyridine;3-[[5-(difluoromethyl)naphthalen-2-yl]methyl]-2H-pyrazolo[4,3-b]pyridine;1,3-dimethyl-6-(2H-pyrazolo[4,3-b]pyridin-3-ylmethyl)isoquinoline;1-ethenyl-3-methyl-6-(2H-pyrazolo[4,3-b]pyridin-3-ylmethyl)isoquinoline;3-methyl-1-prop-2-enyl-6-(2H-pyrazolo[4,3-b]pyridin-3-ylmethyl)isoquinoline;3-methyl-6-(2H-pyrazolo[4,3-b]pyridin-3-ylmethyl)-1-pyrazol-1-ylisoquinoline;3-methyl-6-(2H-pyrazolo[4,3-b]pyridin-3-ylmethyl)-1-(1,1,1-trifluoropropan-2-yl)isoquinoline;3-methyl-6-(2H-pyrazolo[4,3-b]pyridin-3-ylmethyl)-1-(3,3,3-trifluoroprop-1-en-2-yl)isoquinoline.

Molecular Properties

• Compound Name: 3-[[5-(difluoromethyl)naphthalen-2-yl]methyl]-2H-pyrazolo[3,4-b]pyridine;3-[[5-(difluoromethyl)naphthalen-2-yl]methyl]-2H-pyrazolo[4,3-b]pyridine;1,3-dimethyl-6-(2H-pyrazolo[4,3-b]pyridin-3-ylmethyl)isoquinoline;1-ethenyl-3-methyl-6-(2H-pyrazolo[4,3-b]pyridin-3-ylmethyl)isoquinoline;3-methyl-1-prop-2-enyl-6-(2H-pyrazolo[4,3-b]pyridin-3-ylmethyl)isoquinoline;3-methyl-6-(2H-pyrazolo[4,3-b]pyridin-3-ylmethyl)-1-pyrazol-1-ylisoquinoline;3-methyl-6-(2H-pyrazolo[4,3-b]pyridin-3-ylmethyl)-1-(1,1,1-trifluoropropan-2-yl)isoquinoline;3-methyl-6-(2H-pyrazolo[4,3-b]pyridin-3-ylmethyl)-1-(3,3,3-trifluoroprop-1-en-2-yl)isoquinoline
• PubChem CID: 159777826
• Molecular Formula: C153H124F10N32
• Molecular Weight: 2600.88 g/mol
• Exact Mass: 2599.05
• IUPAC Name: 3-[[5-(difluoromethyl)naphthalen-2-yl]methyl]-2H-pyrazolo[3,4-b]pyridine;3-[[5-(difluoromethyl)naphthalen-2-yl]methyl]-2H-pyrazolo[4,3-b]pyridine;1,3-dimethyl-6-(2H-pyrazolo[4,3-b]pyridin-3-ylmethyl)isoquinoline;1-ethenyl-3-methyl-6-(2H-pyrazolo[4,3-b]pyridin-3-ylmethyl)isoquinoline;3-methyl-1-prop-2-enyl-6-(2H-pyrazolo[4,3-b]pyridin-3-ylmethyl)isoquinoline;3-methyl-6-(2H-pyrazolo[4,3-b]pyridin-3-ylmethyl)-1-pyrazol-1-ylisoquinoline;3-methyl-6-(2H-pyrazolo[4,3-b]pyridin-3-ylmethyl)-1-(1,1,1-trifluoropropan-2-yl)isoquinoline;3-methyl-6-(2H-pyrazolo[4,3-b]pyridin-3-ylmethyl)-1-(3,3,3-trifluoroprop-1-en-2-yl)isoquinoline
• SMILES: C=C(c1nc(C)cc2cc(Cc3[nH]nc4cccnc34)ccc12)C(F)(F)F.C=CCc1nc(C)cc2cc(Cc3[nH]nc4cccnc34)ccc12.C=Cc1nc(C)cc2cc(Cc3[nH]nc4cccnc34)ccc12.Cc1cc2cc(Cc3[nH]nc4cccnc34)ccc2c(-n2cccn2)n1.Cc1cc2cc(Cc3[nH]nc4cccnc34)ccc2c(C(C)C(F)(F)F)n1.Cc1cc2cc(Cc3[nH]nc4cccnc34)ccc2c(C)n1.FC(F)c1cccc2cc(Cc3[nH]nc4cccnc34)ccc12.FC(F)c1cccc2cc(Cc3[nH]nc4ncccc34)ccc12
• InChI: InChI=1S/C20H17F3N4.C20H15F3N4.C20H16N6.C20H18N4.C19H16N4.2C18H13F2N3.C18H16N4/c2*1-11-8-14-9-13(10-17-19-16(26-27-17)4-3-7-24-19)5-6-15(14)18(25-11)12(2)20(21,22)23;1-13-10-15-11-14(12-18-19-17(24-25-18)4-2-7-21-19)5-6-16(15)20(23-13)26-9-3-8-22-26;1-3-5-17-16-8-7-14(11-15(16)10-13(2)22-17)12-19-20-18(23-24-19)6-4-9-21-20;1-3-16-15-7-6-13(10-14(15)9-12(2)21-16)11-18-19-17(22-23-18)5-4-8-20-19;19-18(20)14-4-1-3-12-9-11(6-7-13(12)14)10-16-17-15(22-23-16)5-2-8-21-17;19-17(20)14-4-1-3-12-9-11(6-7-13(12)14)10-16-15-5-2-8-21-18(15)23-22-16;1-11-8-14-9-13(5-6-15(14)12(2)20-11)10-17-18-16(21-22-17)4-3-7-19-18/h3-9,12H,10H2,1-2H3,(H,26,27);3-9H,2,10H2,1H3,(H,26,27);2-11H,12H2,1H3,(H,24,25);3-4,6-11H,1,5,12H2,2H3,(H,23,24);3-10H,1,11H2,2H3,(H,22,23);1-9,18H,10H2,(H,22,23);1-9,17H,10H2,(H,21,22,23);3-9H,10H2,1-2H3,(H,21,22)
• InChIKey: NGYYJEKAVCXUHH-UHFFFAOYSA-N
• XLogP: 34.82
• TPSA: 427.72 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 24
• Rotatable Bonds: 24
• Heavy Atoms: 195
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2600.88
LogP ≤ 5	34.82
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	24

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-[[5-(difluoromethyl)naphthalen-2-yl]methyl]-2H-pyrazolo[3,4-b]pyridine;3-[[5-(difluoromethyl)naphthalen-2-yl]methyl]-2H-pyrazolo[4,3-b]pyridine;1,3-dimethyl-6-(2H-pyrazolo[4,3-b]pyridin-3-ylmethyl)isoquinoline;1-ethenyl-3-methyl-6-(2H-pyrazolo[4,3-b]pyridin-3-ylmethyl)isoquinoline;3-methyl-1-prop-2-enyl-6-(2H-pyrazolo[4,3-b]pyridin-3-ylmethyl)isoquinoline;3-methyl-6-(2H-pyrazolo[4,3-b]pyridin-3-ylmethyl)-1-pyrazol-1-ylisoquinoline;3-methyl-6-(2H-pyrazolo[4,3-b]pyridin-3-ylmethyl)-1-(1,1,1-trifluoropropan-2-yl)isoquinoline;3-methyl-6-(2H-pyrazolo[4,3-b]pyridin-3-ylmethyl)-1-(3,3,3-trifluoroprop-1-en-2-yl)isoquinoline?

The IUPAC name of 3-[[5-(difluoromethyl)naphthalen-2-yl]methyl]-2H-pyrazolo[3,4-b]pyridine;3-[[5-(difluoromethyl)naphthalen-2-yl]methyl]-2H-pyrazolo[4,3-b]pyridine;1,3-dimethyl-6-(2H-pyrazolo[4,3-b]pyridin-3-ylmethyl)isoquinoline;1-ethenyl-3-methyl-6-(2H-pyrazolo[4,3-b]pyridin-3-ylmethyl)isoquinoline;3-methyl-1-prop-2-enyl-6-(2H-pyrazolo[4,3-b]pyridin-3-ylmethyl)isoquinoline;3-methyl-6-(2H-pyrazolo[4,3-b]pyridin-3-ylmethyl)-1-pyrazol-1-ylisoquinoline;3-methyl-6-(2H-pyrazolo[4,3-b]pyridin-3-ylmethyl)-1-(1,1,1-trifluoropropan-2-yl)isoquinoline;3-methyl-6-(2H-pyrazolo[4,3-b]pyridin-3-ylmethyl)-1-(3,3,3-trifluoroprop-1-en-2-yl)isoquinoline (CID 159777826) is 3-[[5-(difluoromethyl)naphthalen-2-yl]methyl]-2H-pyrazolo[3,4-b]pyridine;3-[[5-(difluoromethyl)naphthalen-2-yl]methyl]-2H-pyrazolo[4,3-b]pyridine;1,3-dimethyl-6-(2H-pyrazolo[4,3-b]pyridin-3-ylmethyl)isoquinoline;1-ethenyl-3-methyl-6-(2H-pyrazolo[4,3-b]pyridin-3-ylmethyl)isoquinoline;3-methyl-1-prop-2-enyl-6-(2H-pyrazolo[4,3-b]pyridin-3-ylmethyl)isoquinoline;3-methyl-6-(2H-pyrazolo[4,3-b]pyridin-3-ylmethyl)-1-pyrazol-1-ylisoquinoline;3-methyl-6-(2H-pyrazolo[4,3-b]pyridin-3-ylmethyl)-1-(1,1,1-trifluoropropan-2-yl)isoquinoline;3-methyl-6-(2H-pyrazolo[4,3-b]pyridin-3-ylmethyl)-1-(3,3,3-trifluoroprop-1-en-2-yl)isoquinoline.

What is the SMILES notation for 3-[[5-(difluoromethyl)naphthalen-2-yl]methyl]-2H-pyrazolo[3,4-b]pyridine;3-[[5-(difluoromethyl)naphthalen-2-yl]methyl]-2H-pyrazolo[4,3-b]pyridine;1,3-dimethyl-6-(2H-pyrazolo[4,3-b]pyridin-3-ylmethyl)isoquinoline;1-ethenyl-3-methyl-6-(2H-pyrazolo[4,3-b]pyridin-3-ylmethyl)isoquinoline;3-methyl-1-prop-2-enyl-6-(2H-pyrazolo[4,3-b]pyridin-3-ylmethyl)isoquinoline;3-methyl-6-(2H-pyrazolo[4,3-b]pyridin-3-ylmethyl)-1-pyrazol-1-ylisoquinoline;3-methyl-6-(2H-pyrazolo[4,3-b]pyridin-3-ylmethyl)-1-(1,1,1-trifluoropropan-2-yl)isoquinoline;3-methyl-6-(2H-pyrazolo[4,3-b]pyridin-3-ylmethyl)-1-(3,3,3-trifluoroprop-1-en-2-yl)isoquinoline?

The canonical SMILES for 3-[[5-(difluoromethyl)naphthalen-2-yl]methyl]-2H-pyrazolo[3,4-b]pyridine;3-[[5-(difluoromethyl)naphthalen-2-yl]methyl]-2H-pyrazolo[4,3-b]pyridine;1,3-dimethyl-6-(2H-pyrazolo[4,3-b]pyridin-3-ylmethyl)isoquinoline;1-ethenyl-3-methyl-6-(2H-pyrazolo[4,3-b]pyridin-3-ylmethyl)isoquinoline;3-methyl-1-prop-2-enyl-6-(2H-pyrazolo[4,3-b]pyridin-3-ylmethyl)isoquinoline;3-methyl-6-(2H-pyrazolo[4,3-b]pyridin-3-ylmethyl)-1-pyrazol-1-ylisoquinoline;3-methyl-6-(2H-pyrazolo[4,3-b]pyridin-3-ylmethyl)-1-(1,1,1-trifluoropropan-2-yl)isoquinoline;3-methyl-6-(2H-pyrazolo[4,3-b]pyridin-3-ylmethyl)-1-(3,3,3-trifluoroprop-1-en-2-yl)isoquinoline is C=C(c1nc(C)cc2cc(Cc3[nH]nc4cccnc34)ccc12)C(F)(F)F.C=CCc1nc(C)cc2cc(Cc3[nH]nc4cccnc34)ccc12.C=Cc1nc(C)cc2cc(Cc3[nH]nc4cccnc34)ccc12.Cc1cc2cc(Cc3[nH]nc4cccnc34)ccc2c(-n2cccn2)n1.Cc1cc2cc(Cc3[nH]nc4cccnc34)ccc2c(C(C)C(F)(F)F)n1.Cc1cc2cc(Cc3[nH]nc4cccnc34)ccc2c(C)n1.FC(F)c1cccc2cc(Cc3[nH]nc4cccnc34)ccc12.FC(F)c1cccc2cc(Cc3[nH]nc4ncccc34)ccc12.

What is the InChIKey of 3-[[5-(difluoromethyl)naphthalen-2-yl]methyl]-2H-pyrazolo[3,4-b]pyridine;3-[[5-(difluoromethyl)naphthalen-2-yl]methyl]-2H-pyrazolo[4,3-b]pyridine;1,3-dimethyl-6-(2H-pyrazolo[4,3-b]pyridin-3-ylmethyl)isoquinoline;1-ethenyl-3-methyl-6-(2H-pyrazolo[4,3-b]pyridin-3-ylmethyl)isoquinoline;3-methyl-1-prop-2-enyl-6-(2H-pyrazolo[4,3-b]pyridin-3-ylmethyl)isoquinoline;3-methyl-6-(2H-pyrazolo[4,3-b]pyridin-3-ylmethyl)-1-pyrazol-1-ylisoquinoline;3-methyl-6-(2H-pyrazolo[4,3-b]pyridin-3-ylmethyl)-1-(1,1,1-trifluoropropan-2-yl)isoquinoline;3-methyl-6-(2H-pyrazolo[4,3-b]pyridin-3-ylmethyl)-1-(3,3,3-trifluoroprop-1-en-2-yl)isoquinoline?

The InChIKey is NGYYJEKAVCXUHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17F3N4.C20H15F3N4.C20H16N6.C20H18N4.C19H16N4.2C18H13F2N3.C18H16N4/c2*1-11-8-14-9-13(10-17-19-16(26-27-17)4-3-7-24-19)5-6-15(14)18(25-11)12(2)20(21,22)23;1-13-10-15-11-14(12-18-19-17(24-25-18)4-2-7-21-19)5-6-16(15)20(23-13)26-9-3-8-22-26;1-3-5-17-16-8-7-14(11-15(16)10-13(2)22-17)12-19-20-18(23-24-19)6-4-9-21-20;1-3-16-15-7-6-13(10-14(15)9-12(2)21-16)11-18-19-17(22-23-18)5-4-8-20-19;19-18(20)14-4-1-3-12-9-11(6-7-13(12)14)10-16-17-15(22-23-16)5-2-8-21-17;19-17(20)14-4-1-3-12-9-11(6-7-13(12)14)10-16-15-5-2-8-21-18(15)23-22-16;1-11-8-14-9-13(5-6-15(14)12(2)20-11)10-17-18-16(21-22-17)4-3-7-19-18/h3-9,12H,10H2,1-2H3,(H,26,27);3-9H,2,10H2,1H3,(H,26,27);2-11H,12H2,1H3,(H,24,25);3-4,6-11H,1,5,12H2,2H3,(H,23,24);3-10H,1,11H2,2H3,(H,22,23);1-9,18H,10H2,(H,22,23);1-9,17H,10H2,(H,21,22,23);3-9H,10H2,1-2H3,(H,21,22).

What are the key properties of 3-[[5-(difluoromethyl)naphthalen-2-yl]methyl]-2H-pyrazolo[3,4-b]pyridine;3-[[5-(difluoromethyl)naphthalen-2-yl]methyl]-2H-pyrazolo[4,3-b]pyridine;1,3-dimethyl-6-(2H-pyrazolo[4,3-b]pyridin-3-ylmethyl)isoquinoline;1-ethenyl-3-methyl-6-(2H-pyrazolo[4,3-b]pyridin-3-ylmethyl)isoquinoline;3-methyl-1-prop-2-enyl-6-(2H-pyrazolo[4,3-b]pyridin-3-ylmethyl)isoquinoline;3-methyl-6-(2H-pyrazolo[4,3-b]pyridin-3-ylmethyl)-1-pyrazol-1-ylisoquinoline;3-methyl-6-(2H-pyrazolo[4,3-b]pyridin-3-ylmethyl)-1-(1,1,1-trifluoropropan-2-yl)isoquinoline;3-methyl-6-(2H-pyrazolo[4,3-b]pyridin-3-ylmethyl)-1-(3,3,3-trifluoroprop-1-en-2-yl)isoquinoline?

3-[[5-(difluoromethyl)naphthalen-2-yl]methyl]-2H-pyrazolo[3,4-b]pyridine;3-[[5-(difluoromethyl)naphthalen-2-yl]methyl]-2H-pyrazolo[4,3-b]pyridine;1,3-dimethyl-6-(2H-pyrazolo[4,3-b]pyridin-3-ylmethyl)isoquinoline;1-ethenyl-3-methyl-6-(2H-pyrazolo[4,3-b]pyridin-3-ylmethyl)isoquinoline;3-methyl-1-prop-2-enyl-6-(2H-pyrazolo[4,3-b]pyridin-3-ylmethyl)isoquinoline;3-methyl-6-(2H-pyrazolo[4,3-b]pyridin-3-ylmethyl)-1-pyrazol-1-ylisoquinoline;3-methyl-6-(2H-pyrazolo[4,3-b]pyridin-3-ylmethyl)-1-(1,1,1-trifluoropropan-2-yl)isoquinoline;3-methyl-6-(2H-pyrazolo[4,3-b]pyridin-3-ylmethyl)-1-(3,3,3-trifluoroprop-1-en-2-yl)isoquinoline has a molecular weight of 2600.88 g/mol, XLogP of 34.82, 24 rotatable bonds, 8 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[[5-(difluoromethyl)naphthalen-2-yl]methyl]-2H-pyrazolo[3,4-b]pyridine;3-[[5-(difluoromethyl)naphthalen-2-yl]methyl]-2H-pyrazolo[4,3-b]pyridine;1,3-dimethyl-6-(2H-pyrazolo[4,3-b]pyridin-3-ylmethyl)isoquinoline;1-ethenyl-3-methyl-6-(2H-pyrazolo[4,3-b]pyridin-3-ylmethyl)isoquinoline;3-methyl-1-prop-2-enyl-6-(2H-pyrazolo[4,3-b]pyridin-3-ylmethyl)isoquinoline;3-methyl-6-(2H-pyrazolo[4,3-b]pyridin-3-ylmethyl)-1-pyrazol-1-ylisoquinoline;3-methyl-6-(2H-pyrazolo[4,3-b]pyridin-3-ylmethyl)-1-(1,1,1-trifluoropropan-2-yl)isoquinoline;3-methyl-6-(2H-pyrazolo[4,3-b]pyridin-3-ylmethyl)-1-(3,3,3-trifluoroprop-1-en-2-yl)isoquinoline is sourced from PubChem (CID 159777826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).