5-chloro-3-(3-fluorophenyl)-1H-pyrazolo[4,3-b]pyridine;N-cyclopropyl-3-phenyl-2H-pyrazolo[3,4-b]pyridine-5-carboxamide;3-(3-fluorophenyl)-1,4-dihydropyrazolo[4,3-b]pyridin-5-one;[3-(3-fluorophenyl)-1-methylpyrazolo[4,3-b]pyridin-5-yl] acetate;[3-(3-fluorophenyl)-1-methylpyrazolo[4,3-b]pyridin-6-yl] acetate;[3-(3-fluorophenyl)-1H-pyrazolo[4,3-b]pyridin-6-yl] acetate;1-[3-(3-fluorophenyl)-1H-pyrazolo[4,3-b]pyridin-5-yl]ethanone

C98H73ClF6N22O9 — CID 157293817

About 5-chloro-3-(3-fluorophenyl)-1H-pyrazolo[4,3-b]pyridine;N-cyclopropyl-3-phenyl-2H-pyrazolo[3,4-b]pyridine-5-carboxamide;3-(3-fluorophenyl)-1,4-dihydropyrazolo[4,3-b]pyridin-5-one;[3-(3-fluorophenyl)-1-methylpyrazolo[4,3-b]pyridin-5-yl] acetate;[3-(3-fluorophenyl)-1-methylpyrazolo[4,3-b]pyridin-6-yl] acetate;[3-(3-fluorophenyl)-1H-pyrazolo[4,3-b]pyridin-6-yl] acetate;1-[3-(3-fluorophenyl)-1H-pyrazolo[4,3-b]pyridin-5-yl]ethanone

5-chloro-3-(3-fluorophenyl)-1H-pyrazolo[4,3-b]pyridine;N-cyclopropyl-3-phenyl-2H-pyrazolo[3,4-b]pyridine-5-carboxamide;3-(3-fluorophenyl)-1,4-dihydropyrazolo[4,3-b]pyridin-5-one;[3-(3-fluorophenyl)-1-methylpyrazolo[4,3-b]pyridin-5-yl] acetate;[3-(3-fluorophenyl)-1-methylpyrazolo[4,3-b]pyridin-6-yl] acetate;[3-(3-fluorophenyl)-1H-pyrazolo[4,3-b]pyridin-6-yl] acetate;1-[3-(3-fluorophenyl)-1H-pyrazolo[4,3-b]pyridin-5-yl]ethanone (PubChem CID 157293817) has the molecular formula C98H73ClF6N22O9 and a molecular weight of 1852.25 g/mol. Its IUPAC name is 5-chloro-3-(3-fluorophenyl)-1H-pyrazolo[4,3-b]pyridine;N-cyclopropyl-3-phenyl-2H-pyrazolo[3,4-b]pyridine-5-carboxamide;3-(3-fluorophenyl)-1,4-dihydropyrazolo[4,3-b]pyridin-5-one;[3-(3-fluorophenyl)-1-methylpyrazolo[4,3-b]pyridin-5-yl] acetate;[3-(3-fluorophenyl)-1-methylpyrazolo[4,3-b]pyridin-6-yl] acetate;[3-(3-fluorophenyl)-1H-pyrazolo[4,3-b]pyridin-6-yl] acetate;1-[3-(3-fluorophenyl)-1H-pyrazolo[4,3-b]pyridin-5-yl]ethanone.

Molecular Properties

• Compound Name: 5-chloro-3-(3-fluorophenyl)-1H-pyrazolo[4,3-b]pyridine;N-cyclopropyl-3-phenyl-2H-pyrazolo[3,4-b]pyridine-5-carboxamide;3-(3-fluorophenyl)-1,4-dihydropyrazolo[4,3-b]pyridin-5-one;[3-(3-fluorophenyl)-1-methylpyrazolo[4,3-b]pyridin-5-yl] acetate;[3-(3-fluorophenyl)-1-methylpyrazolo[4,3-b]pyridin-6-yl] acetate;[3-(3-fluorophenyl)-1H-pyrazolo[4,3-b]pyridin-6-yl] acetate;1-[3-(3-fluorophenyl)-1H-pyrazolo[4,3-b]pyridin-5-yl]ethanone
• PubChem CID: 157293817
• Molecular Formula: C98H73ClF6N22O9
• Molecular Weight: 1852.25 g/mol
• Exact Mass: 1850.55
• IUPAC Name: 5-chloro-3-(3-fluorophenyl)-1H-pyrazolo[4,3-b]pyridine;N-cyclopropyl-3-phenyl-2H-pyrazolo[3,4-b]pyridine-5-carboxamide;3-(3-fluorophenyl)-1,4-dihydropyrazolo[4,3-b]pyridin-5-one;[3-(3-fluorophenyl)-1-methylpyrazolo[4,3-b]pyridin-5-yl] acetate;[3-(3-fluorophenyl)-1-methylpyrazolo[4,3-b]pyridin-6-yl] acetate;[3-(3-fluorophenyl)-1H-pyrazolo[4,3-b]pyridin-6-yl] acetate;1-[3-(3-fluorophenyl)-1H-pyrazolo[4,3-b]pyridin-5-yl]ethanone
• SMILES: CC(=O)Oc1ccc2c(n1)c(-c1cccc(F)c1)nn2C.CC(=O)Oc1cnc2c(-c3cccc(F)c3)n[nH]c2c1.CC(=O)Oc1cnc2c(-c3cccc(F)c3)nn(C)c2c1.CC(=O)c1ccc2[nH]nc(-c3cccc(F)c3)c2n1.Fc1cccc(-c2n[nH]c3ccc(Cl)nc23)c1.O=C(NC1CC1)c1cnc2n[nH]c(-c3ccccc3)c2c1.O=c1ccc2[nH]nc(-c3cccc(F)c3)c2[nH]1
• InChI: InChI=1S/C16H14N4O.2C15H12FN3O2.C14H10FN3O2.C14H10FN3O.C12H7ClFN3.C12H8FN3O/c21-16(18-12-6-7-12)11-8-13-14(10-4-2-1-3-5-10)19-20-15(13)17-9-11;1-9(20)21-12-7-13-15(17-8-12)14(18-19(13)2)10-4-3-5-11(16)6-10;1-9(20)21-13-7-6-12-15(17-13)14(18-19(12)2)10-4-3-5-11(16)8-10;1-8(19)20-11-6-12-14(16-7-11)13(18-17-12)9-3-2-4-10(15)5-9;1-8(19)11-5-6-12-14(16-11)13(18-17-12)9-3-2-4-10(15)7-9;13-10-5-4-9-12(15-10)11(17-16-9)7-2-1-3-8(14)6-7;13-8-3-1-2-7(6-8)11-12-9(15-16-11)4-5-10(17)14-12/h1-5,8-9,12H,6-7H2,(H,18,21)(H,17,19,20);2*3-8H,1-2H3;2-7H,1H3,(H,17,18);2-7H,1H3,(H,17,18);1-6H,(H,16,17);1-6H,(H,14,17)(H,15,16)
• InChIKey: BBCKSNBJBUQOBZ-UHFFFAOYSA-N
• XLogP: 19.05
• TPSA: 414.31 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 24
• Rotatable Bonds: 13
• Heavy Atoms: 136
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1852.25
LogP ≤ 5	19.05
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	24

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-(3-fluorophenyl)-1H-pyrazolo[4,3-b]pyridine;N-cyclopropyl-3-phenyl-2H-pyrazolo[3,4-b]pyridine-5-carboxamide;3-(3-fluorophenyl)-1,4-dihydropyrazolo[4,3-b]pyridin-5-one;[3-(3-fluorophenyl)-1-methylpyrazolo[4,3-b]pyridin-5-yl] acetate;[3-(3-fluorophenyl)-1-methylpyrazolo[4,3-b]pyridin-6-yl] acetate;[3-(3-fluorophenyl)-1H-pyrazolo[4,3-b]pyridin-6-yl] acetate;1-[3-(3-fluorophenyl)-1H-pyrazolo[4,3-b]pyridin-5-yl]ethanone?

The IUPAC name of 5-chloro-3-(3-fluorophenyl)-1H-pyrazolo[4,3-b]pyridine;N-cyclopropyl-3-phenyl-2H-pyrazolo[3,4-b]pyridine-5-carboxamide;3-(3-fluorophenyl)-1,4-dihydropyrazolo[4,3-b]pyridin-5-one;[3-(3-fluorophenyl)-1-methylpyrazolo[4,3-b]pyridin-5-yl] acetate;[3-(3-fluorophenyl)-1-methylpyrazolo[4,3-b]pyridin-6-yl] acetate;[3-(3-fluorophenyl)-1H-pyrazolo[4,3-b]pyridin-6-yl] acetate;1-[3-(3-fluorophenyl)-1H-pyrazolo[4,3-b]pyridin-5-yl]ethanone (CID 157293817) is 5-chloro-3-(3-fluorophenyl)-1H-pyrazolo[4,3-b]pyridine;N-cyclopropyl-3-phenyl-2H-pyrazolo[3,4-b]pyridine-5-carboxamide;3-(3-fluorophenyl)-1,4-dihydropyrazolo[4,3-b]pyridin-5-one;[3-(3-fluorophenyl)-1-methylpyrazolo[4,3-b]pyridin-5-yl] acetate;[3-(3-fluorophenyl)-1-methylpyrazolo[4,3-b]pyridin-6-yl] acetate;[3-(3-fluorophenyl)-1H-pyrazolo[4,3-b]pyridin-6-yl] acetate;1-[3-(3-fluorophenyl)-1H-pyrazolo[4,3-b]pyridin-5-yl]ethanone.

What is the SMILES notation for 5-chloro-3-(3-fluorophenyl)-1H-pyrazolo[4,3-b]pyridine;N-cyclopropyl-3-phenyl-2H-pyrazolo[3,4-b]pyridine-5-carboxamide;3-(3-fluorophenyl)-1,4-dihydropyrazolo[4,3-b]pyridin-5-one;[3-(3-fluorophenyl)-1-methylpyrazolo[4,3-b]pyridin-5-yl] acetate;[3-(3-fluorophenyl)-1-methylpyrazolo[4,3-b]pyridin-6-yl] acetate;[3-(3-fluorophenyl)-1H-pyrazolo[4,3-b]pyridin-6-yl] acetate;1-[3-(3-fluorophenyl)-1H-pyrazolo[4,3-b]pyridin-5-yl]ethanone?

The canonical SMILES for 5-chloro-3-(3-fluorophenyl)-1H-pyrazolo[4,3-b]pyridine;N-cyclopropyl-3-phenyl-2H-pyrazolo[3,4-b]pyridine-5-carboxamide;3-(3-fluorophenyl)-1,4-dihydropyrazolo[4,3-b]pyridin-5-one;[3-(3-fluorophenyl)-1-methylpyrazolo[4,3-b]pyridin-5-yl] acetate;[3-(3-fluorophenyl)-1-methylpyrazolo[4,3-b]pyridin-6-yl] acetate;[3-(3-fluorophenyl)-1H-pyrazolo[4,3-b]pyridin-6-yl] acetate;1-[3-(3-fluorophenyl)-1H-pyrazolo[4,3-b]pyridin-5-yl]ethanone is CC(=O)Oc1ccc2c(n1)c(-c1cccc(F)c1)nn2C.CC(=O)Oc1cnc2c(-c3cccc(F)c3)n[nH]c2c1.CC(=O)Oc1cnc2c(-c3cccc(F)c3)nn(C)c2c1.CC(=O)c1ccc2[nH]nc(-c3cccc(F)c3)c2n1.Fc1cccc(-c2n[nH]c3ccc(Cl)nc23)c1.O=C(NC1CC1)c1cnc2n[nH]c(-c3ccccc3)c2c1.O=c1ccc2[nH]nc(-c3cccc(F)c3)c2[nH]1.

What is the InChIKey of 5-chloro-3-(3-fluorophenyl)-1H-pyrazolo[4,3-b]pyridine;N-cyclopropyl-3-phenyl-2H-pyrazolo[3,4-b]pyridine-5-carboxamide;3-(3-fluorophenyl)-1,4-dihydropyrazolo[4,3-b]pyridin-5-one;[3-(3-fluorophenyl)-1-methylpyrazolo[4,3-b]pyridin-5-yl] acetate;[3-(3-fluorophenyl)-1-methylpyrazolo[4,3-b]pyridin-6-yl] acetate;[3-(3-fluorophenyl)-1H-pyrazolo[4,3-b]pyridin-6-yl] acetate;1-[3-(3-fluorophenyl)-1H-pyrazolo[4,3-b]pyridin-5-yl]ethanone?

The InChIKey is BBCKSNBJBUQOBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N4O.2C15H12FN3O2.C14H10FN3O2.C14H10FN3O.C12H7ClFN3.C12H8FN3O/c21-16(18-12-6-7-12)11-8-13-14(10-4-2-1-3-5-10)19-20-15(13)17-9-11;1-9(20)21-12-7-13-15(17-8-12)14(18-19(13)2)10-4-3-5-11(16)6-10;1-9(20)21-13-7-6-12-15(17-13)14(18-19(12)2)10-4-3-5-11(16)8-10;1-8(19)20-11-6-12-14(16-7-11)13(18-17-12)9-3-2-4-10(15)5-9;1-8(19)11-5-6-12-14(16-11)13(18-17-12)9-3-2-4-10(15)7-9;13-10-5-4-9-12(15-10)11(17-16-9)7-2-1-3-8(14)6-7;13-8-3-1-2-7(6-8)11-12-9(15-16-11)4-5-10(17)14-12/h1-5,8-9,12H,6-7H2,(H,18,21)(H,17,19,20);2*3-8H,1-2H3;2-7H,1H3,(H,17,18);2-7H,1H3,(H,17,18);1-6H,(H,16,17);1-6H,(H,14,17)(H,15,16).

What are the key properties of 5-chloro-3-(3-fluorophenyl)-1H-pyrazolo[4,3-b]pyridine;N-cyclopropyl-3-phenyl-2H-pyrazolo[3,4-b]pyridine-5-carboxamide;3-(3-fluorophenyl)-1,4-dihydropyrazolo[4,3-b]pyridin-5-one;[3-(3-fluorophenyl)-1-methylpyrazolo[4,3-b]pyridin-5-yl] acetate;[3-(3-fluorophenyl)-1-methylpyrazolo[4,3-b]pyridin-6-yl] acetate;[3-(3-fluorophenyl)-1H-pyrazolo[4,3-b]pyridin-6-yl] acetate;1-[3-(3-fluorophenyl)-1H-pyrazolo[4,3-b]pyridin-5-yl]ethanone?

5-chloro-3-(3-fluorophenyl)-1H-pyrazolo[4,3-b]pyridine;N-cyclopropyl-3-phenyl-2H-pyrazolo[3,4-b]pyridine-5-carboxamide;3-(3-fluorophenyl)-1,4-dihydropyrazolo[4,3-b]pyridin-5-one;[3-(3-fluorophenyl)-1-methylpyrazolo[4,3-b]pyridin-5-yl] acetate;[3-(3-fluorophenyl)-1-methylpyrazolo[4,3-b]pyridin-6-yl] acetate;[3-(3-fluorophenyl)-1H-pyrazolo[4,3-b]pyridin-6-yl] acetate;1-[3-(3-fluorophenyl)-1H-pyrazolo[4,3-b]pyridin-5-yl]ethanone has a molecular weight of 1852.25 g/mol, XLogP of 19.05, 13 rotatable bonds, 7 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for 5-chloro-3-(3-fluorophenyl)-1H-pyrazolo[4,3-b]pyridine;N-cyclopropyl-3-phenyl-2H-pyrazolo[3,4-b]pyridine-5-carboxamide;3-(3-fluorophenyl)-1,4-dihydropyrazolo[4,3-b]pyridin-5-one;[3-(3-fluorophenyl)-1-methylpyrazolo[4,3-b]pyridin-5-yl] acetate;[3-(3-fluorophenyl)-1-methylpyrazolo[4,3-b]pyridin-6-yl] acetate;[3-(3-fluorophenyl)-1H-pyrazolo[4,3-b]pyridin-6-yl] acetate;1-[3-(3-fluorophenyl)-1H-pyrazolo[4,3-b]pyridin-5-yl]ethanone is sourced from PubChem (CID 157293817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).