8-(4-fluorophenyl)-2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]-4,5-dihydropyrazolo[4,3-h]quinazoline-3-carboxylic acid

C24H26FN5O4 — CID 67973997

About 8-(4-fluorophenyl)-2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]-4,5-dihydropyrazolo[4,3-h]quinazoline-3-carboxylic acid

8-(4-fluorophenyl)-2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]-4,5-dihydropyrazolo[4,3-h]quinazoline-3-carboxylic acid (PubChem CID 67973997) has the molecular formula C24H26FN5O4 and a molecular weight of 467.50 g/mol. Its IUPAC name is 8-(4-fluorophenyl)-2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]-4,5-dihydropyrazolo[4,3-h]quinazoline-3-carboxylic acid.

Molecular Properties

• Compound Name: 8-(4-fluorophenyl)-2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]-4,5-dihydropyrazolo[4,3-h]quinazoline-3-carboxylic acid
• PubChem CID: 67973997
• Molecular Formula: C24H26FN5O4
• Molecular Weight: 467.50 g/mol
• Exact Mass: 467.20
• IUPAC Name: 8-(4-fluorophenyl)-2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]-4,5-dihydropyrazolo[4,3-h]quinazoline-3-carboxylic acid
• SMILES: CC(C)(C)OC(=O)NCCCn1nc2c(c1C(=O)O)CCc1cnc(-c3ccc(F)cc3)nc1-2
• InChI: InChI=1S/C24H26FN5O4/c1-24(2,3)34-23(33)26-11-4-12-30-20(22(31)32)17-10-7-15-13-27-21(28-18(15)19(17)29-30)14-5-8-16(25)9-6-14/h5-6,8-9,13H,4,7,10-12H2,1-3H3,(H,26,33)(H,31,32)
• InChIKey: NSBGDLHFUYXQMI-UHFFFAOYSA-N
• XLogP: 3.86
• TPSA: 119.23 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	467.50
LogP ≤ 5	3.86
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 8-(4-fluorophenyl)-2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]-4,5-dihydropyrazolo[4,3-h]quinazoline-3-carboxylic acid?

The IUPAC name of 8-(4-fluorophenyl)-2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]-4,5-dihydropyrazolo[4,3-h]quinazoline-3-carboxylic acid (CID 67973997) is 8-(4-fluorophenyl)-2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]-4,5-dihydropyrazolo[4,3-h]quinazoline-3-carboxylic acid.

What is the SMILES notation for 8-(4-fluorophenyl)-2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]-4,5-dihydropyrazolo[4,3-h]quinazoline-3-carboxylic acid?

The canonical SMILES for 8-(4-fluorophenyl)-2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]-4,5-dihydropyrazolo[4,3-h]quinazoline-3-carboxylic acid is CC(C)(C)OC(=O)NCCCn1nc2c(c1C(=O)O)CCc1cnc(-c3ccc(F)cc3)nc1-2.

What is the InChIKey of 8-(4-fluorophenyl)-2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]-4,5-dihydropyrazolo[4,3-h]quinazoline-3-carboxylic acid?

The InChIKey is NSBGDLHFUYXQMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26FN5O4/c1-24(2,3)34-23(33)26-11-4-12-30-20(22(31)32)17-10-7-15-13-27-21(28-18(15)19(17)29-30)14-5-8-16(25)9-6-14/h5-6,8-9,13H,4,7,10-12H2,1-3H3,(H,26,33)(H,31,32).

What are the key properties of 8-(4-fluorophenyl)-2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]-4,5-dihydropyrazolo[4,3-h]quinazoline-3-carboxylic acid?

8-(4-fluorophenyl)-2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]-4,5-dihydropyrazolo[4,3-h]quinazoline-3-carboxylic acid has a molecular weight of 467.50 g/mol, XLogP of 3.86, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 8-(4-fluorophenyl)-2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]-4,5-dihydropyrazolo[4,3-h]quinazoline-3-carboxylic acid is sourced from PubChem (CID 67973997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).