1-[(2,4-difluorophenyl)methyl]-6-(1-methylpyrazol-4-yl)pyrazolo[4,5-b]pyridine;1-[(3,4-dimethoxyphenyl)methyl]-6-(1-methylpyrazol-4-yl)pyrazolo[4,5-b]pyridine;3,5-dimethyl-4-[[6-(1-methylpyrazol-4-yl)pyrazolo[4,5-b]pyridin-1-yl]methyl]-1,2-oxazole;1-[(4-fluorophenyl)methyl]-6-(1-methylpyrazol-4-yl)pyrazolo[4,5-b]pyridine;1-[(2-isocyanophenyl)methyl]-6-(1-methylpyrazol-4-yl)pyrazolo[4,5-b]pyridine;6-(1-methylpyrazol-4-yl)-1-[(4-nitrophenyl)methyl]pyrazolo[4,5-b]pyridine

C104H90F3N33O5 — CID 158264198

About 1-[(2,4-difluorophenyl)methyl]-6-(1-methylpyrazol-4-yl)pyrazolo[4,5-b]pyridine;1-[(3,4-dimethoxyphenyl)methyl]-6-(1-methylpyrazol-4-yl)pyrazolo[4,5-b]pyridine;3,5-dimethyl-4-[[6-(1-methylpyrazol-4-yl)pyrazolo[4,5-b]pyridin-1-yl]methyl]-1,2-oxazole;1-[(4-fluorophenyl)methyl]-6-(1-methylpyrazol-4-yl)pyrazolo[4,5-b]pyridine;1-[(2-isocyanophenyl)methyl]-6-(1-methylpyrazol-4-yl)pyrazolo[4,5-b]pyridine;6-(1-methylpyrazol-4-yl)-1-[(4-nitrophenyl)methyl]pyrazolo[4,5-b]pyridine

1-[(2,4-difluorophenyl)methyl]-6-(1-methylpyrazol-4-yl)pyrazolo[4,5-b]pyridine;1-[(3,4-dimethoxyphenyl)methyl]-6-(1-methylpyrazol-4-yl)pyrazolo[4,5-b]pyridine;3,5-dimethyl-4-[[6-(1-methylpyrazol-4-yl)pyrazolo[4,5-b]pyridin-1-yl]methyl]-1,2-oxazole;1-[(4-fluorophenyl)methyl]-6-(1-methylpyrazol-4-yl)pyrazolo[4,5-b]pyridine;1-[(2-isocyanophenyl)methyl]-6-(1-methylpyrazol-4-yl)pyrazolo[4,5-b]pyridine;6-(1-methylpyrazol-4-yl)-1-[(4-nitrophenyl)methyl]pyrazolo[4,5-b]pyridine (PubChem CID 158264198) has the molecular formula C104H90F3N33O5 and a molecular weight of 1939.08 g/mol. Its IUPAC name is 1-[(2,4-difluorophenyl)methyl]-6-(1-methylpyrazol-4-yl)pyrazolo[4,5-b]pyridine;1-[(3,4-dimethoxyphenyl)methyl]-6-(1-methylpyrazol-4-yl)pyrazolo[4,5-b]pyridine;3,5-dimethyl-4-[[6-(1-methylpyrazol-4-yl)pyrazolo[4,5-b]pyridin-1-yl]methyl]-1,2-oxazole;1-[(4-fluorophenyl)methyl]-6-(1-methylpyrazol-4-yl)pyrazolo[4,5-b]pyridine;1-[(2-isocyanophenyl)methyl]-6-(1-methylpyrazol-4-yl)pyrazolo[4,5-b]pyridine;6-(1-methylpyrazol-4-yl)-1-[(4-nitrophenyl)methyl]pyrazolo[4,5-b]pyridine.

Molecular Properties

• Compound Name: 1-[(2,4-difluorophenyl)methyl]-6-(1-methylpyrazol-4-yl)pyrazolo[4,5-b]pyridine;1-[(3,4-dimethoxyphenyl)methyl]-6-(1-methylpyrazol-4-yl)pyrazolo[4,5-b]pyridine;3,5-dimethyl-4-[[6-(1-methylpyrazol-4-yl)pyrazolo[4,5-b]pyridin-1-yl]methyl]-1,2-oxazole;1-[(4-fluorophenyl)methyl]-6-(1-methylpyrazol-4-yl)pyrazolo[4,5-b]pyridine;1-[(2-isocyanophenyl)methyl]-6-(1-methylpyrazol-4-yl)pyrazolo[4,5-b]pyridine;6-(1-methylpyrazol-4-yl)-1-[(4-nitrophenyl)methyl]pyrazolo[4,5-b]pyridine
• PubChem CID: 158264198
• Molecular Formula: C104H90F3N33O5
• Molecular Weight: 1939.08 g/mol
• Exact Mass: 1937.78
• IUPAC Name: 1-[(2,4-difluorophenyl)methyl]-6-(1-methylpyrazol-4-yl)pyrazolo[4,5-b]pyridine;1-[(3,4-dimethoxyphenyl)methyl]-6-(1-methylpyrazol-4-yl)pyrazolo[4,5-b]pyridine;3,5-dimethyl-4-[[6-(1-methylpyrazol-4-yl)pyrazolo[4,5-b]pyridin-1-yl]methyl]-1,2-oxazole;1-[(4-fluorophenyl)methyl]-6-(1-methylpyrazol-4-yl)pyrazolo[4,5-b]pyridine;1-[(2-isocyanophenyl)methyl]-6-(1-methylpyrazol-4-yl)pyrazolo[4,5-b]pyridine;6-(1-methylpyrazol-4-yl)-1-[(4-nitrophenyl)methyl]pyrazolo[4,5-b]pyridine
• SMILES: COc1ccc(Cn2ncc3ncc(-c4cnn(C)c4)cc32)cc1OC.Cc1noc(C)c1Cn1ncc2ncc(-c3cnn(C)c3)cc21.Cn1cc(-c2cnc3cnn(Cc4ccc(F)cc4)c3c2)cn1.Cn1cc(-c2cnc3cnn(Cc4ccc(F)cc4F)c3c2)cn1.Cn1cc(-c2cnc3cnn(Cc4ccc([N+](=O)[O-])cc4)c3c2)cn1.[C-]#[N+]c1ccccc1Cn1ncc2ncc(-c3cnn(C)c3)cc21
• InChI: InChI=1S/C19H19N5O2.C18H14N6.C17H13F2N5.C17H14FN5.C17H14N6O2.C16H16N6O/c1-23-12-15(9-21-23)14-7-17-16(20-8-14)10-22-24(17)11-13-4-5-18(25-2)19(6-13)26-3;1-19-16-6-4-3-5-13(16)12-24-18-7-14(8-20-17(18)10-22-24)15-9-21-23(2)11-15;1-23-9-13(7-21-23)12-4-17-16(20-6-12)8-22-24(17)10-11-2-3-14(18)5-15(11)19;1-22-11-14(8-20-22)13-6-17-16(19-7-13)9-21-23(17)10-12-2-4-15(18)5-3-12;1-21-11-14(8-19-21)13-6-17-16(18-7-13)9-20-22(17)10-12-2-4-15(5-3-12)23(24)25;1-10-14(11(2)23-20-10)9-22-16-4-12(5-17-15(16)7-19-22)13-6-18-21(3)8-13/h4-10,12H,11H2,1-3H3;3-11H,12H2,2H3;2-9H,10H2,1H3;2-9,11H,10H2,1H3;2-9,11H,10H2,1H3;4-8H,9H2,1-3H3
• InChIKey: GIFUBAYMOMSFCH-UHFFFAOYSA-N
• XLogP: 17.78
• TPSA: 383.17 Ų
• H-Bond Acceptors: 36
• Rotatable Bonds: 21
• Heavy Atoms: 145
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1939.08
LogP ≤ 5	17.78
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	36

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-[(2,4-difluorophenyl)methyl]-6-(1-methylpyrazol-4-yl)pyrazolo[4,5-b]pyridine;1-[(3,4-dimethoxyphenyl)methyl]-6-(1-methylpyrazol-4-yl)pyrazolo[4,5-b]pyridine;3,5-dimethyl-4-[[6-(1-methylpyrazol-4-yl)pyrazolo[4,5-b]pyridin-1-yl]methyl]-1,2-oxazole;1-[(4-fluorophenyl)methyl]-6-(1-methylpyrazol-4-yl)pyrazolo[4,5-b]pyridine;1-[(2-isocyanophenyl)methyl]-6-(1-methylpyrazol-4-yl)pyrazolo[4,5-b]pyridine;6-(1-methylpyrazol-4-yl)-1-[(4-nitrophenyl)methyl]pyrazolo[4,5-b]pyridine?

The IUPAC name of 1-[(2,4-difluorophenyl)methyl]-6-(1-methylpyrazol-4-yl)pyrazolo[4,5-b]pyridine;1-[(3,4-dimethoxyphenyl)methyl]-6-(1-methylpyrazol-4-yl)pyrazolo[4,5-b]pyridine;3,5-dimethyl-4-[[6-(1-methylpyrazol-4-yl)pyrazolo[4,5-b]pyridin-1-yl]methyl]-1,2-oxazole;1-[(4-fluorophenyl)methyl]-6-(1-methylpyrazol-4-yl)pyrazolo[4,5-b]pyridine;1-[(2-isocyanophenyl)methyl]-6-(1-methylpyrazol-4-yl)pyrazolo[4,5-b]pyridine;6-(1-methylpyrazol-4-yl)-1-[(4-nitrophenyl)methyl]pyrazolo[4,5-b]pyridine (CID 158264198) is 1-[(2,4-difluorophenyl)methyl]-6-(1-methylpyrazol-4-yl)pyrazolo[4,5-b]pyridine;1-[(3,4-dimethoxyphenyl)methyl]-6-(1-methylpyrazol-4-yl)pyrazolo[4,5-b]pyridine;3,5-dimethyl-4-[[6-(1-methylpyrazol-4-yl)pyrazolo[4,5-b]pyridin-1-yl]methyl]-1,2-oxazole;1-[(4-fluorophenyl)methyl]-6-(1-methylpyrazol-4-yl)pyrazolo[4,5-b]pyridine;1-[(2-isocyanophenyl)methyl]-6-(1-methylpyrazol-4-yl)pyrazolo[4,5-b]pyridine;6-(1-methylpyrazol-4-yl)-1-[(4-nitrophenyl)methyl]pyrazolo[4,5-b]pyridine.

What is the SMILES notation for 1-[(2,4-difluorophenyl)methyl]-6-(1-methylpyrazol-4-yl)pyrazolo[4,5-b]pyridine;1-[(3,4-dimethoxyphenyl)methyl]-6-(1-methylpyrazol-4-yl)pyrazolo[4,5-b]pyridine;3,5-dimethyl-4-[[6-(1-methylpyrazol-4-yl)pyrazolo[4,5-b]pyridin-1-yl]methyl]-1,2-oxazole;1-[(4-fluorophenyl)methyl]-6-(1-methylpyrazol-4-yl)pyrazolo[4,5-b]pyridine;1-[(2-isocyanophenyl)methyl]-6-(1-methylpyrazol-4-yl)pyrazolo[4,5-b]pyridine;6-(1-methylpyrazol-4-yl)-1-[(4-nitrophenyl)methyl]pyrazolo[4,5-b]pyridine?

The canonical SMILES for 1-[(2,4-difluorophenyl)methyl]-6-(1-methylpyrazol-4-yl)pyrazolo[4,5-b]pyridine;1-[(3,4-dimethoxyphenyl)methyl]-6-(1-methylpyrazol-4-yl)pyrazolo[4,5-b]pyridine;3,5-dimethyl-4-[[6-(1-methylpyrazol-4-yl)pyrazolo[4,5-b]pyridin-1-yl]methyl]-1,2-oxazole;1-[(4-fluorophenyl)methyl]-6-(1-methylpyrazol-4-yl)pyrazolo[4,5-b]pyridine;1-[(2-isocyanophenyl)methyl]-6-(1-methylpyrazol-4-yl)pyrazolo[4,5-b]pyridine;6-(1-methylpyrazol-4-yl)-1-[(4-nitrophenyl)methyl]pyrazolo[4,5-b]pyridine is COc1ccc(Cn2ncc3ncc(-c4cnn(C)c4)cc32)cc1OC.Cc1noc(C)c1Cn1ncc2ncc(-c3cnn(C)c3)cc21.Cn1cc(-c2cnc3cnn(Cc4ccc(F)cc4)c3c2)cn1.Cn1cc(-c2cnc3cnn(Cc4ccc(F)cc4F)c3c2)cn1.Cn1cc(-c2cnc3cnn(Cc4ccc([N+](=O)[O-])cc4)c3c2)cn1.[C-]#[N+]c1ccccc1Cn1ncc2ncc(-c3cnn(C)c3)cc21.

What is the InChIKey of 1-[(2,4-difluorophenyl)methyl]-6-(1-methylpyrazol-4-yl)pyrazolo[4,5-b]pyridine;1-[(3,4-dimethoxyphenyl)methyl]-6-(1-methylpyrazol-4-yl)pyrazolo[4,5-b]pyridine;3,5-dimethyl-4-[[6-(1-methylpyrazol-4-yl)pyrazolo[4,5-b]pyridin-1-yl]methyl]-1,2-oxazole;1-[(4-fluorophenyl)methyl]-6-(1-methylpyrazol-4-yl)pyrazolo[4,5-b]pyridine;1-[(2-isocyanophenyl)methyl]-6-(1-methylpyrazol-4-yl)pyrazolo[4,5-b]pyridine;6-(1-methylpyrazol-4-yl)-1-[(4-nitrophenyl)methyl]pyrazolo[4,5-b]pyridine?

The InChIKey is GIFUBAYMOMSFCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5O2.C18H14N6.C17H13F2N5.C17H14FN5.C17H14N6O2.C16H16N6O/c1-23-12-15(9-21-23)14-7-17-16(20-8-14)10-22-24(17)11-13-4-5-18(25-2)19(6-13)26-3;1-19-16-6-4-3-5-13(16)12-24-18-7-14(8-20-17(18)10-22-24)15-9-21-23(2)11-15;1-23-9-13(7-21-23)12-4-17-16(20-6-12)8-22-24(17)10-11-2-3-14(18)5-15(11)19;1-22-11-14(8-20-22)13-6-17-16(19-7-13)9-21-23(17)10-12-2-4-15(18)5-3-12;1-21-11-14(8-19-21)13-6-17-16(18-7-13)9-20-22(17)10-12-2-4-15(5-3-12)23(24)25;1-10-14(11(2)23-20-10)9-22-16-4-12(5-17-15(16)7-19-22)13-6-18-21(3)8-13/h4-10,12H,11H2,1-3H3;3-11H,12H2,2H3;2-9H,10H2,1H3;2-9,11H,10H2,1H3;2-9,11H,10H2,1H3;4-8H,9H2,1-3H3.

What are the key properties of 1-[(2,4-difluorophenyl)methyl]-6-(1-methylpyrazol-4-yl)pyrazolo[4,5-b]pyridine;1-[(3,4-dimethoxyphenyl)methyl]-6-(1-methylpyrazol-4-yl)pyrazolo[4,5-b]pyridine;3,5-dimethyl-4-[[6-(1-methylpyrazol-4-yl)pyrazolo[4,5-b]pyridin-1-yl]methyl]-1,2-oxazole;1-[(4-fluorophenyl)methyl]-6-(1-methylpyrazol-4-yl)pyrazolo[4,5-b]pyridine;1-[(2-isocyanophenyl)methyl]-6-(1-methylpyrazol-4-yl)pyrazolo[4,5-b]pyridine;6-(1-methylpyrazol-4-yl)-1-[(4-nitrophenyl)methyl]pyrazolo[4,5-b]pyridine?

1-[(2,4-difluorophenyl)methyl]-6-(1-methylpyrazol-4-yl)pyrazolo[4,5-b]pyridine;1-[(3,4-dimethoxyphenyl)methyl]-6-(1-methylpyrazol-4-yl)pyrazolo[4,5-b]pyridine;3,5-dimethyl-4-[[6-(1-methylpyrazol-4-yl)pyrazolo[4,5-b]pyridin-1-yl]methyl]-1,2-oxazole;1-[(4-fluorophenyl)methyl]-6-(1-methylpyrazol-4-yl)pyrazolo[4,5-b]pyridine;1-[(2-isocyanophenyl)methyl]-6-(1-methylpyrazol-4-yl)pyrazolo[4,5-b]pyridine;6-(1-methylpyrazol-4-yl)-1-[(4-nitrophenyl)methyl]pyrazolo[4,5-b]pyridine has a molecular weight of 1939.08 g/mol, XLogP of 17.78, 21 rotatable bonds, 0 hydrogen bond donors, and 36 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[(2,4-difluorophenyl)methyl]-6-(1-methylpyrazol-4-yl)pyrazolo[4,5-b]pyridine;1-[(3,4-dimethoxyphenyl)methyl]-6-(1-methylpyrazol-4-yl)pyrazolo[4,5-b]pyridine;3,5-dimethyl-4-[[6-(1-methylpyrazol-4-yl)pyrazolo[4,5-b]pyridin-1-yl]methyl]-1,2-oxazole;1-[(4-fluorophenyl)methyl]-6-(1-methylpyrazol-4-yl)pyrazolo[4,5-b]pyridine;1-[(2-isocyanophenyl)methyl]-6-(1-methylpyrazol-4-yl)pyrazolo[4,5-b]pyridine;6-(1-methylpyrazol-4-yl)-1-[(4-nitrophenyl)methyl]pyrazolo[4,5-b]pyridine is sourced from PubChem (CID 158264198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).