4,5-dimethyl-1H-pyrazole-3-carboxylic acid;1-(4,5-dimethyl-1H-pyrazol-3-yl)-2-[2-(2-fluorophenyl)-1H-imidazo[4,5-b]pyridin-6-yl]ethanone;2-fluorobenzoic acid;2-(2-fluorophenyl)-1H-imidazo[4,5-b]pyridin-6-amine;2-(2-fluorophenyl)-6-nitro-1H-imidazo[4,5-b]pyridine;5-nitropyridine-2,3-diamine

C61H51F4N19O9 — CID 160814799

About 4,5-dimethyl-1H-pyrazole-3-carboxylic acid;1-(4,5-dimethyl-1H-pyrazol-3-yl)-2-[2-(2-fluorophenyl)-1H-imidazo[4,5-b]pyridin-6-yl]ethanone;2-fluorobenzoic acid;2-(2-fluorophenyl)-1H-imidazo[4,5-b]pyridin-6-amine;2-(2-fluorophenyl)-6-nitro-1H-imidazo[4,5-b]pyridine;5-nitropyridine-2,3-diamine

4,5-dimethyl-1H-pyrazole-3-carboxylic acid;1-(4,5-dimethyl-1H-pyrazol-3-yl)-2-[2-(2-fluorophenyl)-1H-imidazo[4,5-b]pyridin-6-yl]ethanone;2-fluorobenzoic acid;2-(2-fluorophenyl)-1H-imidazo[4,5-b]pyridin-6-amine;2-(2-fluorophenyl)-6-nitro-1H-imidazo[4,5-b]pyridine;5-nitropyridine-2,3-diamine (PubChem CID 160814799) has the molecular formula C61H51F4N19O9 and a molecular weight of 1270.19 g/mol. Its IUPAC name is 4,5-dimethyl-1H-pyrazole-3-carboxylic acid;1-(4,5-dimethyl-1H-pyrazol-3-yl)-2-[2-(2-fluorophenyl)-1H-imidazo[4,5-b]pyridin-6-yl]ethanone;2-fluorobenzoic acid;2-(2-fluorophenyl)-1H-imidazo[4,5-b]pyridin-6-amine;2-(2-fluorophenyl)-6-nitro-1H-imidazo[4,5-b]pyridine;5-nitropyridine-2,3-diamine.

Molecular Properties

• Compound Name: 4,5-dimethyl-1H-pyrazole-3-carboxylic acid;1-(4,5-dimethyl-1H-pyrazol-3-yl)-2-[2-(2-fluorophenyl)-1H-imidazo[4,5-b]pyridin-6-yl]ethanone;2-fluorobenzoic acid;2-(2-fluorophenyl)-1H-imidazo[4,5-b]pyridin-6-amine;2-(2-fluorophenyl)-6-nitro-1H-imidazo[4,5-b]pyridine;5-nitropyridine-2,3-diamine
• PubChem CID: 160814799
• Molecular Formula: C61H51F4N19O9
• Molecular Weight: 1270.19 g/mol
• Exact Mass: 1269.41
• IUPAC Name: 4,5-dimethyl-1H-pyrazole-3-carboxylic acid;1-(4,5-dimethyl-1H-pyrazol-3-yl)-2-[2-(2-fluorophenyl)-1H-imidazo[4,5-b]pyridin-6-yl]ethanone;2-fluorobenzoic acid;2-(2-fluorophenyl)-1H-imidazo[4,5-b]pyridin-6-amine;2-(2-fluorophenyl)-6-nitro-1H-imidazo[4,5-b]pyridine;5-nitropyridine-2,3-diamine
• SMILES: Cc1[nH]nc(C(=O)Cc2cnc3nc(-c4ccccc4F)[nH]c3c2)c1C.Cc1[nH]nc(C(=O)O)c1C.Nc1cc([N+](=O)[O-])cnc1N.Nc1cnc2nc(-c3ccccc3F)[nH]c2c1.O=C(O)c1ccccc1F.O=[N+]([O-])c1cnc2nc(-c3ccccc3F)[nH]c2c1
• InChI: InChI=1S/C19H16FN5O.C12H7FN4O2.C12H9FN4.C7H5FO2.C6H8N2O2.C5H6N4O2/c1-10-11(2)24-25-17(10)16(26)8-12-7-15-19(21-9-12)23-18(22-15)13-5-3-4-6-14(13)20;13-9-4-2-1-3-8(9)11-15-10-5-7(17(18)19)6-14-12(10)16-11;13-9-4-2-1-3-8(9)11-16-10-5-7(14)6-15-12(10)17-11;8-6-4-2-1-3-5(6)7(9)10;1-3-4(2)7-8-5(3)6(9)10;6-4-1-3(9(10)11)2-8-5(4)7/h3-7,9H,8H2,1-2H3,(H,24,25)(H,21,22,23);1-6H,(H,14,15,16);1-6H,14H2,(H,15,16,17);1-4H,(H,9,10);1-2H3,(H,7,8)(H,9,10);1-2H,6H2,(H2,7,8)
• InChIKey: SETLTJSFLFNFEX-UHFFFAOYSA-N
• XLogP: 10.95
• TPSA: 450.97 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 19
• Rotatable Bonds: 10
• Heavy Atoms: 93
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1270.19
LogP ≤ 5	10.95
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	19

Computed Properties (RDKit)

• Structural Alerts: {'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 4,5-dimethyl-1H-pyrazole-3-carboxylic acid;1-(4,5-dimethyl-1H-pyrazol-3-yl)-2-[2-(2-fluorophenyl)-1H-imidazo[4,5-b]pyridin-6-yl]ethanone;2-fluorobenzoic acid;2-(2-fluorophenyl)-1H-imidazo[4,5-b]pyridin-6-amine;2-(2-fluorophenyl)-6-nitro-1H-imidazo[4,5-b]pyridine;5-nitropyridine-2,3-diamine?

The IUPAC name of 4,5-dimethyl-1H-pyrazole-3-carboxylic acid;1-(4,5-dimethyl-1H-pyrazol-3-yl)-2-[2-(2-fluorophenyl)-1H-imidazo[4,5-b]pyridin-6-yl]ethanone;2-fluorobenzoic acid;2-(2-fluorophenyl)-1H-imidazo[4,5-b]pyridin-6-amine;2-(2-fluorophenyl)-6-nitro-1H-imidazo[4,5-b]pyridine;5-nitropyridine-2,3-diamine (CID 160814799) is 4,5-dimethyl-1H-pyrazole-3-carboxylic acid;1-(4,5-dimethyl-1H-pyrazol-3-yl)-2-[2-(2-fluorophenyl)-1H-imidazo[4,5-b]pyridin-6-yl]ethanone;2-fluorobenzoic acid;2-(2-fluorophenyl)-1H-imidazo[4,5-b]pyridin-6-amine;2-(2-fluorophenyl)-6-nitro-1H-imidazo[4,5-b]pyridine;5-nitropyridine-2,3-diamine.

What is the SMILES notation for 4,5-dimethyl-1H-pyrazole-3-carboxylic acid;1-(4,5-dimethyl-1H-pyrazol-3-yl)-2-[2-(2-fluorophenyl)-1H-imidazo[4,5-b]pyridin-6-yl]ethanone;2-fluorobenzoic acid;2-(2-fluorophenyl)-1H-imidazo[4,5-b]pyridin-6-amine;2-(2-fluorophenyl)-6-nitro-1H-imidazo[4,5-b]pyridine;5-nitropyridine-2,3-diamine?

The canonical SMILES for 4,5-dimethyl-1H-pyrazole-3-carboxylic acid;1-(4,5-dimethyl-1H-pyrazol-3-yl)-2-[2-(2-fluorophenyl)-1H-imidazo[4,5-b]pyridin-6-yl]ethanone;2-fluorobenzoic acid;2-(2-fluorophenyl)-1H-imidazo[4,5-b]pyridin-6-amine;2-(2-fluorophenyl)-6-nitro-1H-imidazo[4,5-b]pyridine;5-nitropyridine-2,3-diamine is Cc1[nH]nc(C(=O)Cc2cnc3nc(-c4ccccc4F)[nH]c3c2)c1C.Cc1[nH]nc(C(=O)O)c1C.Nc1cc([N+](=O)[O-])cnc1N.Nc1cnc2nc(-c3ccccc3F)[nH]c2c1.O=C(O)c1ccccc1F.O=[N+]([O-])c1cnc2nc(-c3ccccc3F)[nH]c2c1.

What is the InChIKey of 4,5-dimethyl-1H-pyrazole-3-carboxylic acid;1-(4,5-dimethyl-1H-pyrazol-3-yl)-2-[2-(2-fluorophenyl)-1H-imidazo[4,5-b]pyridin-6-yl]ethanone;2-fluorobenzoic acid;2-(2-fluorophenyl)-1H-imidazo[4,5-b]pyridin-6-amine;2-(2-fluorophenyl)-6-nitro-1H-imidazo[4,5-b]pyridine;5-nitropyridine-2,3-diamine?

The InChIKey is SETLTJSFLFNFEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16FN5O.C12H7FN4O2.C12H9FN4.C7H5FO2.C6H8N2O2.C5H6N4O2/c1-10-11(2)24-25-17(10)16(26)8-12-7-15-19(21-9-12)23-18(22-15)13-5-3-4-6-14(13)20;13-9-4-2-1-3-8(9)11-15-10-5-7(17(18)19)6-14-12(10)16-11;13-9-4-2-1-3-8(9)11-16-10-5-7(14)6-15-12(10)17-11;8-6-4-2-1-3-5(6)7(9)10;1-3-4(2)7-8-5(3)6(9)10;6-4-1-3(9(10)11)2-8-5(4)7/h3-7,9H,8H2,1-2H3,(H,24,25)(H,21,22,23);1-6H,(H,14,15,16);1-6H,14H2,(H,15,16,17);1-4H,(H,9,10);1-2H3,(H,7,8)(H,9,10);1-2H,6H2,(H2,7,8).

What are the key properties of 4,5-dimethyl-1H-pyrazole-3-carboxylic acid;1-(4,5-dimethyl-1H-pyrazol-3-yl)-2-[2-(2-fluorophenyl)-1H-imidazo[4,5-b]pyridin-6-yl]ethanone;2-fluorobenzoic acid;2-(2-fluorophenyl)-1H-imidazo[4,5-b]pyridin-6-amine;2-(2-fluorophenyl)-6-nitro-1H-imidazo[4,5-b]pyridine;5-nitropyridine-2,3-diamine?

4,5-dimethyl-1H-pyrazole-3-carboxylic acid;1-(4,5-dimethyl-1H-pyrazol-3-yl)-2-[2-(2-fluorophenyl)-1H-imidazo[4,5-b]pyridin-6-yl]ethanone;2-fluorobenzoic acid;2-(2-fluorophenyl)-1H-imidazo[4,5-b]pyridin-6-amine;2-(2-fluorophenyl)-6-nitro-1H-imidazo[4,5-b]pyridine;5-nitropyridine-2,3-diamine has a molecular weight of 1270.19 g/mol, XLogP of 10.95, 10 rotatable bonds, 10 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for 4,5-dimethyl-1H-pyrazole-3-carboxylic acid;1-(4,5-dimethyl-1H-pyrazol-3-yl)-2-[2-(2-fluorophenyl)-1H-imidazo[4,5-b]pyridin-6-yl]ethanone;2-fluorobenzoic acid;2-(2-fluorophenyl)-1H-imidazo[4,5-b]pyridin-6-amine;2-(2-fluorophenyl)-6-nitro-1H-imidazo[4,5-b]pyridine;5-nitropyridine-2,3-diamine is sourced from PubChem (CID 160814799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).