4-chloro-1-(4-fluorophenyl)-5-methyl-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylic acid;4,6-dichloro-1-(4-fluorophenyl)-5-methyl-3-propan-2-ylpyrazolo[5,4-b]pyridine;diethyl 2-methylpropanedioate;1-(4-fluorophenyl)-4-hydroxy-5-methyl-3-propan-2-yl-7,7a-dihydro-3aH-pyrazolo[3,4-b]pyridin-6-one;1-(4-fluorophenyl)-3-propan-2-ylpyrazol-5-amine;methyl 4-chloro-1-(4-fluorophenyl)-5-methyl-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylate

C87H92Cl4F5N15O10 — CID 157288075

About 4-chloro-1-(4-fluorophenyl)-5-methyl-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylic acid;4,6-dichloro-1-(4-fluorophenyl)-5-methyl-3-propan-2-ylpyrazolo[5,4-b]pyridine;diethyl 2-methylpropanedioate;1-(4-fluorophenyl)-4-hydroxy-5-methyl-3-propan-2-yl-7,7a-dihydro-3aH-pyrazolo[3,4-b]pyridin-6-one;1-(4-fluorophenyl)-3-propan-2-ylpyrazol-5-amine;methyl 4-chloro-1-(4-fluorophenyl)-5-methyl-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylate

4-chloro-1-(4-fluorophenyl)-5-methyl-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylic acid;4,6-dichloro-1-(4-fluorophenyl)-5-methyl-3-propan-2-ylpyrazolo[5,4-b]pyridine;diethyl 2-methylpropanedioate;1-(4-fluorophenyl)-4-hydroxy-5-methyl-3-propan-2-yl-7,7a-dihydro-3aH-pyrazolo[3,4-b]pyridin-6-one;1-(4-fluorophenyl)-3-propan-2-ylpyrazol-5-amine;methyl 4-chloro-1-(4-fluorophenyl)-5-methyl-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylate (PubChem CID 157288075) has the molecular formula C87H92Cl4F5N15O10 and a molecular weight of 1744.59 g/mol. Its IUPAC name is 4-chloro-1-(4-fluorophenyl)-5-methyl-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylic acid;4,6-dichloro-1-(4-fluorophenyl)-5-methyl-3-propan-2-ylpyrazolo[5,4-b]pyridine;diethyl 2-methylpropanedioate;1-(4-fluorophenyl)-4-hydroxy-5-methyl-3-propan-2-yl-7,7a-dihydro-3aH-pyrazolo[3,4-b]pyridin-6-one;1-(4-fluorophenyl)-3-propan-2-ylpyrazol-5-amine;methyl 4-chloro-1-(4-fluorophenyl)-5-methyl-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylate.

Molecular Properties

• Compound Name: 4-chloro-1-(4-fluorophenyl)-5-methyl-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylic acid;4,6-dichloro-1-(4-fluorophenyl)-5-methyl-3-propan-2-ylpyrazolo[5,4-b]pyridine;diethyl 2-methylpropanedioate;1-(4-fluorophenyl)-4-hydroxy-5-methyl-3-propan-2-yl-7,7a-dihydro-3aH-pyrazolo[3,4-b]pyridin-6-one;1-(4-fluorophenyl)-3-propan-2-ylpyrazol-5-amine;methyl 4-chloro-1-(4-fluorophenyl)-5-methyl-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylate
• PubChem CID: 157288075
• Molecular Formula: C87H92Cl4F5N15O10
• Molecular Weight: 1744.59 g/mol
• Exact Mass: 1741.58
• IUPAC Name: 4-chloro-1-(4-fluorophenyl)-5-methyl-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylic acid;4,6-dichloro-1-(4-fluorophenyl)-5-methyl-3-propan-2-ylpyrazolo[5,4-b]pyridine;diethyl 2-methylpropanedioate;1-(4-fluorophenyl)-4-hydroxy-5-methyl-3-propan-2-yl-7,7a-dihydro-3aH-pyrazolo[3,4-b]pyridin-6-one;1-(4-fluorophenyl)-3-propan-2-ylpyrazol-5-amine;methyl 4-chloro-1-(4-fluorophenyl)-5-methyl-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylate
• SMILES: CC(C)c1cc(N)n(-c2ccc(F)cc2)n1.CC1=C(O)C2C(C(C)C)=NN(c3ccc(F)cc3)C2NC1=O.CCOC(=O)C(C)C(=O)OCC.COC(=O)c1nc2c(c(C(C)C)nn2-c2ccc(F)cc2)c(Cl)c1C.Cc1c(C(=O)O)nc2c(c(C(C)C)nn2-c2ccc(F)cc2)c1Cl.Cc1c(Cl)nc2c(c(C(C)C)nn2-c2ccc(F)cc2)c1Cl
• InChI: InChI=1S/C18H17ClFN3O2.C17H15ClFN3O2.C16H14Cl2FN3.C16H18FN3O2.C12H14FN3.C8H14O4/c1-9(2)15-13-14(19)10(3)16(18(24)25-4)21-17(13)23(22-15)12-7-5-11(20)6-8-12;1-8(2)14-12-13(18)9(3)15(17(23)24)20-16(12)22(21-14)11-6-4-10(19)5-7-11;1-8(2)14-12-13(17)9(3)15(18)20-16(12)22(21-14)11-6-4-10(19)5-7-11;1-8(2)13-12-14(21)9(3)16(22)18-15(12)20(19-13)11-6-4-10(17)5-7-11;1-8(2)11-7-12(14)16(15-11)10-5-3-9(13)4-6-10;1-4-11-7(9)6(3)8(10)12-5-2/h5-9H,1-4H3;4-8H,1-3H3,(H,23,24);4-8H,1-3H3;4-8,12,15,21H,1-3H3,(H,18,22);3-8H,14H2,1-2H3;6H,4-5H2,1-3H3
• InChIKey: BAMAGQHRCHHOGL-UHFFFAOYSA-N
• XLogP: 20.10
• TPSA: 317.10 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 23
• Rotatable Bonds: 16
• Heavy Atoms: 121
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1744.59
LogP ≤ 5	20.10
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	23

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-chloro-1-(4-fluorophenyl)-5-methyl-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylic acid;4,6-dichloro-1-(4-fluorophenyl)-5-methyl-3-propan-2-ylpyrazolo[5,4-b]pyridine;diethyl 2-methylpropanedioate;1-(4-fluorophenyl)-4-hydroxy-5-methyl-3-propan-2-yl-7,7a-dihydro-3aH-pyrazolo[3,4-b]pyridin-6-one;1-(4-fluorophenyl)-3-propan-2-ylpyrazol-5-amine;methyl 4-chloro-1-(4-fluorophenyl)-5-methyl-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylate?

The IUPAC name of 4-chloro-1-(4-fluorophenyl)-5-methyl-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylic acid;4,6-dichloro-1-(4-fluorophenyl)-5-methyl-3-propan-2-ylpyrazolo[5,4-b]pyridine;diethyl 2-methylpropanedioate;1-(4-fluorophenyl)-4-hydroxy-5-methyl-3-propan-2-yl-7,7a-dihydro-3aH-pyrazolo[3,4-b]pyridin-6-one;1-(4-fluorophenyl)-3-propan-2-ylpyrazol-5-amine;methyl 4-chloro-1-(4-fluorophenyl)-5-methyl-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylate (CID 157288075) is 4-chloro-1-(4-fluorophenyl)-5-methyl-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylic acid;4,6-dichloro-1-(4-fluorophenyl)-5-methyl-3-propan-2-ylpyrazolo[5,4-b]pyridine;diethyl 2-methylpropanedioate;1-(4-fluorophenyl)-4-hydroxy-5-methyl-3-propan-2-yl-7,7a-dihydro-3aH-pyrazolo[3,4-b]pyridin-6-one;1-(4-fluorophenyl)-3-propan-2-ylpyrazol-5-amine;methyl 4-chloro-1-(4-fluorophenyl)-5-methyl-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylate.

What is the SMILES notation for 4-chloro-1-(4-fluorophenyl)-5-methyl-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylic acid;4,6-dichloro-1-(4-fluorophenyl)-5-methyl-3-propan-2-ylpyrazolo[5,4-b]pyridine;diethyl 2-methylpropanedioate;1-(4-fluorophenyl)-4-hydroxy-5-methyl-3-propan-2-yl-7,7a-dihydro-3aH-pyrazolo[3,4-b]pyridin-6-one;1-(4-fluorophenyl)-3-propan-2-ylpyrazol-5-amine;methyl 4-chloro-1-(4-fluorophenyl)-5-methyl-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylate?

The canonical SMILES for 4-chloro-1-(4-fluorophenyl)-5-methyl-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylic acid;4,6-dichloro-1-(4-fluorophenyl)-5-methyl-3-propan-2-ylpyrazolo[5,4-b]pyridine;diethyl 2-methylpropanedioate;1-(4-fluorophenyl)-4-hydroxy-5-methyl-3-propan-2-yl-7,7a-dihydro-3aH-pyrazolo[3,4-b]pyridin-6-one;1-(4-fluorophenyl)-3-propan-2-ylpyrazol-5-amine;methyl 4-chloro-1-(4-fluorophenyl)-5-methyl-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylate is CC(C)c1cc(N)n(-c2ccc(F)cc2)n1.CC1=C(O)C2C(C(C)C)=NN(c3ccc(F)cc3)C2NC1=O.CCOC(=O)C(C)C(=O)OCC.COC(=O)c1nc2c(c(C(C)C)nn2-c2ccc(F)cc2)c(Cl)c1C.Cc1c(C(=O)O)nc2c(c(C(C)C)nn2-c2ccc(F)cc2)c1Cl.Cc1c(Cl)nc2c(c(C(C)C)nn2-c2ccc(F)cc2)c1Cl.

What is the InChIKey of 4-chloro-1-(4-fluorophenyl)-5-methyl-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylic acid;4,6-dichloro-1-(4-fluorophenyl)-5-methyl-3-propan-2-ylpyrazolo[5,4-b]pyridine;diethyl 2-methylpropanedioate;1-(4-fluorophenyl)-4-hydroxy-5-methyl-3-propan-2-yl-7,7a-dihydro-3aH-pyrazolo[3,4-b]pyridin-6-one;1-(4-fluorophenyl)-3-propan-2-ylpyrazol-5-amine;methyl 4-chloro-1-(4-fluorophenyl)-5-methyl-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylate?

The InChIKey is BAMAGQHRCHHOGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClFN3O2.C17H15ClFN3O2.C16H14Cl2FN3.C16H18FN3O2.C12H14FN3.C8H14O4/c1-9(2)15-13-14(19)10(3)16(18(24)25-4)21-17(13)23(22-15)12-7-5-11(20)6-8-12;1-8(2)14-12-13(18)9(3)15(17(23)24)20-16(12)22(21-14)11-6-4-10(19)5-7-11;1-8(2)14-12-13(17)9(3)15(18)20-16(12)22(21-14)11-6-4-10(19)5-7-11;1-8(2)13-12-14(21)9(3)16(22)18-15(12)20(19-13)11-6-4-10(17)5-7-11;1-8(2)11-7-12(14)16(15-11)10-5-3-9(13)4-6-10;1-4-11-7(9)6(3)8(10)12-5-2/h5-9H,1-4H3;4-8H,1-3H3,(H,23,24);4-8H,1-3H3;4-8,12,15,21H,1-3H3,(H,18,22);3-8H,14H2,1-2H3;6H,4-5H2,1-3H3.

What are the key properties of 4-chloro-1-(4-fluorophenyl)-5-methyl-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylic acid;4,6-dichloro-1-(4-fluorophenyl)-5-methyl-3-propan-2-ylpyrazolo[5,4-b]pyridine;diethyl 2-methylpropanedioate;1-(4-fluorophenyl)-4-hydroxy-5-methyl-3-propan-2-yl-7,7a-dihydro-3aH-pyrazolo[3,4-b]pyridin-6-one;1-(4-fluorophenyl)-3-propan-2-ylpyrazol-5-amine;methyl 4-chloro-1-(4-fluorophenyl)-5-methyl-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylate?

4-chloro-1-(4-fluorophenyl)-5-methyl-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylic acid;4,6-dichloro-1-(4-fluorophenyl)-5-methyl-3-propan-2-ylpyrazolo[5,4-b]pyridine;diethyl 2-methylpropanedioate;1-(4-fluorophenyl)-4-hydroxy-5-methyl-3-propan-2-yl-7,7a-dihydro-3aH-pyrazolo[3,4-b]pyridin-6-one;1-(4-fluorophenyl)-3-propan-2-ylpyrazol-5-amine;methyl 4-chloro-1-(4-fluorophenyl)-5-methyl-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylate has a molecular weight of 1744.59 g/mol, XLogP of 20.10, 16 rotatable bonds, 4 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for 4-chloro-1-(4-fluorophenyl)-5-methyl-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylic acid;4,6-dichloro-1-(4-fluorophenyl)-5-methyl-3-propan-2-ylpyrazolo[5,4-b]pyridine;diethyl 2-methylpropanedioate;1-(4-fluorophenyl)-4-hydroxy-5-methyl-3-propan-2-yl-7,7a-dihydro-3aH-pyrazolo[3,4-b]pyridin-6-one;1-(4-fluorophenyl)-3-propan-2-ylpyrazol-5-amine;methyl 4-chloro-1-(4-fluorophenyl)-5-methyl-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylate is sourced from PubChem (CID 157288075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).