7-[2-(4-cyclopropylpiperazin-1-yl)-3-pyridinyl]-5-(2,2,2-trifluoroethyl)-1H-pyrazolo[4,5-c]quinolin-4-one;hydrochloride

C24H24ClF3N6O — CID 86679814

About 7-[2-(4-cyclopropylpiperazin-1-yl)-3-pyridinyl]-5-(2,2,2-trifluoroethyl)-1H-pyrazolo[4,5-c]quinolin-4-one;hydrochloride

7-[2-(4-cyclopropylpiperazin-1-yl)-3-pyridinyl]-5-(2,2,2-trifluoroethyl)-1H-pyrazolo[4,5-c]quinolin-4-one;hydrochloride (PubChem CID 86679814) has the molecular formula C24H24ClF3N6O and a molecular weight of 504.94 g/mol. Its IUPAC name is 7-[2-(4-cyclopropylpiperazin-1-yl)-3-pyridinyl]-5-(2,2,2-trifluoroethyl)-1H-pyrazolo[4,5-c]quinolin-4-one;hydrochloride.

Molecular Properties

• Compound Name: 7-[2-(4-cyclopropylpiperazin-1-yl)-3-pyridinyl]-5-(2,2,2-trifluoroethyl)-1H-pyrazolo[4,5-c]quinolin-4-one;hydrochloride
• PubChem CID: 86679814
• Molecular Formula: C24H24ClF3N6O
• Molecular Weight: 504.94 g/mol
• Exact Mass: 504.17
• IUPAC Name: 7-[2-(4-cyclopropylpiperazin-1-yl)-3-pyridinyl]-5-(2,2,2-trifluoroethyl)-1H-pyrazolo[4,5-c]quinolin-4-one;hydrochloride
• SMILES: Cl.O=c1c2cn[nH]c2c2ccc(-c3cccnc3N3CCN(C4CC4)CC3)cc2n1CC(F)(F)F
• InChI: InChI=1S/C24H23F3N6O.ClH/c25-24(26,27)14-33-20-12-15(3-6-18(20)21-19(23(33)34)13-29-30-21)17-2-1-7-28-22(17)32-10-8-31(9-11-32)16-4-5-16;/h1-3,6-7,12-13,16H,4-5,8-11,14H2,(H,29,30);1H
• InChIKey: VQRTVEPNVOJTEJ-UHFFFAOYSA-N
• XLogP: 4.21
• TPSA: 70.05 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	504.94
LogP ≤ 5	4.21
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'dyes5A(27)', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 7-[2-(4-cyclopropylpiperazin-1-yl)-3-pyridinyl]-5-(2,2,2-trifluoroethyl)-1H-pyrazolo[4,5-c]quinolin-4-one;hydrochloride?

The IUPAC name of 7-[2-(4-cyclopropylpiperazin-1-yl)-3-pyridinyl]-5-(2,2,2-trifluoroethyl)-1H-pyrazolo[4,5-c]quinolin-4-one;hydrochloride (CID 86679814) is 7-[2-(4-cyclopropylpiperazin-1-yl)-3-pyridinyl]-5-(2,2,2-trifluoroethyl)-1H-pyrazolo[4,5-c]quinolin-4-one;hydrochloride.

What is the SMILES notation for 7-[2-(4-cyclopropylpiperazin-1-yl)-3-pyridinyl]-5-(2,2,2-trifluoroethyl)-1H-pyrazolo[4,5-c]quinolin-4-one;hydrochloride?

The canonical SMILES for 7-[2-(4-cyclopropylpiperazin-1-yl)-3-pyridinyl]-5-(2,2,2-trifluoroethyl)-1H-pyrazolo[4,5-c]quinolin-4-one;hydrochloride is Cl.O=c1c2cn[nH]c2c2ccc(-c3cccnc3N3CCN(C4CC4)CC3)cc2n1CC(F)(F)F.

What is the InChIKey of 7-[2-(4-cyclopropylpiperazin-1-yl)-3-pyridinyl]-5-(2,2,2-trifluoroethyl)-1H-pyrazolo[4,5-c]quinolin-4-one;hydrochloride?

The InChIKey is VQRTVEPNVOJTEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23F3N6O.ClH/c25-24(26,27)14-33-20-12-15(3-6-18(20)21-19(23(33)34)13-29-30-21)17-2-1-7-28-22(17)32-10-8-31(9-11-32)16-4-5-16;/h1-3,6-7,12-13,16H,4-5,8-11,14H2,(H,29,30);1H.

What are the key properties of 7-[2-(4-cyclopropylpiperazin-1-yl)-3-pyridinyl]-5-(2,2,2-trifluoroethyl)-1H-pyrazolo[4,5-c]quinolin-4-one;hydrochloride?

7-[2-(4-cyclopropylpiperazin-1-yl)-3-pyridinyl]-5-(2,2,2-trifluoroethyl)-1H-pyrazolo[4,5-c]quinolin-4-one;hydrochloride has a molecular weight of 504.94 g/mol, XLogP of 4.21, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 7-[2-(4-cyclopropylpiperazin-1-yl)-3-pyridinyl]-5-(2,2,2-trifluoroethyl)-1H-pyrazolo[4,5-c]quinolin-4-one;hydrochloride is sourced from PubChem (CID 86679814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).