5-acetyl-8-amino-1-(4-fluorophenyl)-4H-pyrazolo[4,5-c]quinoline-3-carboxamide;8-amino-1-(4-fluorophenyl)-4H-chromeno[3,4-d]pyrazole-3-carboxamide

C36H29F2N9O4 — CID 159459223

About 5-acetyl-8-amino-1-(4-fluorophenyl)-4H-pyrazolo[4,5-c]quinoline-3-carboxamide;8-amino-1-(4-fluorophenyl)-4H-chromeno[3,4-d]pyrazole-3-carboxamide

5-acetyl-8-amino-1-(4-fluorophenyl)-4H-pyrazolo[4,5-c]quinoline-3-carboxamide;8-amino-1-(4-fluorophenyl)-4H-chromeno[3,4-d]pyrazole-3-carboxamide (PubChem CID 159459223) has the molecular formula C36H29F2N9O4 and a molecular weight of 689.68 g/mol. Its IUPAC name is 5-acetyl-8-amino-1-(4-fluorophenyl)-4H-pyrazolo[4,5-c]quinoline-3-carboxamide;8-amino-1-(4-fluorophenyl)-4H-chromeno[3,4-d]pyrazole-3-carboxamide.

Molecular Properties

• Compound Name: 5-acetyl-8-amino-1-(4-fluorophenyl)-4H-pyrazolo[4,5-c]quinoline-3-carboxamide;8-amino-1-(4-fluorophenyl)-4H-chromeno[3,4-d]pyrazole-3-carboxamide
• PubChem CID: 159459223
• Molecular Formula: C36H29F2N9O4
• Molecular Weight: 689.68 g/mol
• Exact Mass: 689.23
• IUPAC Name: 5-acetyl-8-amino-1-(4-fluorophenyl)-4H-pyrazolo[4,5-c]quinoline-3-carboxamide;8-amino-1-(4-fluorophenyl)-4H-chromeno[3,4-d]pyrazole-3-carboxamide
• SMILES: CC(=O)N1Cc2c(C(N)=O)nn(-c3ccc(F)cc3)c2-c2cc(N)ccc21.NC(=O)c1nn(-c2ccc(F)cc2)c2c1COc1ccc(N)cc1-2
• InChI: InChI=1S/C19H16FN5O2.C17H13FN4O2/c1-10(26)24-9-15-17(19(22)27)23-25(13-5-2-11(20)3-6-13)18(15)14-8-12(21)4-7-16(14)24;18-9-1-4-11(5-2-9)22-16-12-7-10(19)3-6-14(12)24-8-13(16)15(21-22)17(20)23/h2-8H,9,21H2,1H3,(H2,22,27);1-7H,8,19H2,(H2,20,23)
• InChIKey: LUJGRMWZXUXKOZ-UHFFFAOYSA-N
• XLogP: 4.48
• TPSA: 203.40 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 10
• Rotatable Bonds: 4
• Heavy Atoms: 51
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	689.68
LogP ≤ 5	4.48
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-acetyl-8-amino-1-(4-fluorophenyl)-4H-pyrazolo[4,5-c]quinoline-3-carboxamide;8-amino-1-(4-fluorophenyl)-4H-chromeno[3,4-d]pyrazole-3-carboxamide?

The IUPAC name of 5-acetyl-8-amino-1-(4-fluorophenyl)-4H-pyrazolo[4,5-c]quinoline-3-carboxamide;8-amino-1-(4-fluorophenyl)-4H-chromeno[3,4-d]pyrazole-3-carboxamide (CID 159459223) is 5-acetyl-8-amino-1-(4-fluorophenyl)-4H-pyrazolo[4,5-c]quinoline-3-carboxamide;8-amino-1-(4-fluorophenyl)-4H-chromeno[3,4-d]pyrazole-3-carboxamide.

What is the SMILES notation for 5-acetyl-8-amino-1-(4-fluorophenyl)-4H-pyrazolo[4,5-c]quinoline-3-carboxamide;8-amino-1-(4-fluorophenyl)-4H-chromeno[3,4-d]pyrazole-3-carboxamide?

The canonical SMILES for 5-acetyl-8-amino-1-(4-fluorophenyl)-4H-pyrazolo[4,5-c]quinoline-3-carboxamide;8-amino-1-(4-fluorophenyl)-4H-chromeno[3,4-d]pyrazole-3-carboxamide is CC(=O)N1Cc2c(C(N)=O)nn(-c3ccc(F)cc3)c2-c2cc(N)ccc21.NC(=O)c1nn(-c2ccc(F)cc2)c2c1COc1ccc(N)cc1-2.

What is the InChIKey of 5-acetyl-8-amino-1-(4-fluorophenyl)-4H-pyrazolo[4,5-c]quinoline-3-carboxamide;8-amino-1-(4-fluorophenyl)-4H-chromeno[3,4-d]pyrazole-3-carboxamide?

The InChIKey is LUJGRMWZXUXKOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16FN5O2.C17H13FN4O2/c1-10(26)24-9-15-17(19(22)27)23-25(13-5-2-11(20)3-6-13)18(15)14-8-12(21)4-7-16(14)24;18-9-1-4-11(5-2-9)22-16-12-7-10(19)3-6-14(12)24-8-13(16)15(21-22)17(20)23/h2-8H,9,21H2,1H3,(H2,22,27);1-7H,8,19H2,(H2,20,23).

What are the key properties of 5-acetyl-8-amino-1-(4-fluorophenyl)-4H-pyrazolo[4,5-c]quinoline-3-carboxamide;8-amino-1-(4-fluorophenyl)-4H-chromeno[3,4-d]pyrazole-3-carboxamide?

5-acetyl-8-amino-1-(4-fluorophenyl)-4H-pyrazolo[4,5-c]quinoline-3-carboxamide;8-amino-1-(4-fluorophenyl)-4H-chromeno[3,4-d]pyrazole-3-carboxamide has a molecular weight of 689.68 g/mol, XLogP of 4.48, 4 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 5-acetyl-8-amino-1-(4-fluorophenyl)-4H-pyrazolo[4,5-c]quinoline-3-carboxamide;8-amino-1-(4-fluorophenyl)-4H-chromeno[3,4-d]pyrazole-3-carboxamide is sourced from PubChem (CID 159459223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).