2-(2-aminoethyl)-7-(1H-pyrazol-5-yl)pyrazolo[3,4-c]quinolin-4-amine;2-[2-[4-amino-7-(1H-pyrazol-5-yl)pyrazolo[3,4-c]quinolin-2-yl]ethyl]-6-fluoro-3H-isoindol-1-one;methyl 2-(bromomethyl)-5-fluorobenzoate

C47H41BrF2N14O3 — CID 158305136

About 2-(2-aminoethyl)-7-(1H-pyrazol-5-yl)pyrazolo[3,4-c]quinolin-4-amine;2-[2-[4-amino-7-(1H-pyrazol-5-yl)pyrazolo[3,4-c]quinolin-2-yl]ethyl]-6-fluoro-3H-isoindol-1-one;methyl 2-(bromomethyl)-5-fluorobenzoate

2-(2-aminoethyl)-7-(1H-pyrazol-5-yl)pyrazolo[3,4-c]quinolin-4-amine;2-[2-[4-amino-7-(1H-pyrazol-5-yl)pyrazolo[3,4-c]quinolin-2-yl]ethyl]-6-fluoro-3H-isoindol-1-one;methyl 2-(bromomethyl)-5-fluorobenzoate (PubChem CID 158305136) has the molecular formula C47H41BrF2N14O3 and a molecular weight of 967.84 g/mol. Its IUPAC name is 2-(2-aminoethyl)-7-(1H-pyrazol-5-yl)pyrazolo[3,4-c]quinolin-4-amine;2-[2-[4-amino-7-(1H-pyrazol-5-yl)pyrazolo[3,4-c]quinolin-2-yl]ethyl]-6-fluoro-3H-isoindol-1-one;methyl 2-(bromomethyl)-5-fluorobenzoate.

Molecular Properties

• Compound Name: 2-(2-aminoethyl)-7-(1H-pyrazol-5-yl)pyrazolo[3,4-c]quinolin-4-amine;2-[2-[4-amino-7-(1H-pyrazol-5-yl)pyrazolo[3,4-c]quinolin-2-yl]ethyl]-6-fluoro-3H-isoindol-1-one;methyl 2-(bromomethyl)-5-fluorobenzoate
• PubChem CID: 158305136
• Molecular Formula: C47H41BrF2N14O3
• Molecular Weight: 967.84 g/mol
• Exact Mass: 966.26
• IUPAC Name: 2-(2-aminoethyl)-7-(1H-pyrazol-5-yl)pyrazolo[3,4-c]quinolin-4-amine;2-[2-[4-amino-7-(1H-pyrazol-5-yl)pyrazolo[3,4-c]quinolin-2-yl]ethyl]-6-fluoro-3H-isoindol-1-one;methyl 2-(bromomethyl)-5-fluorobenzoate
• SMILES: COC(=O)c1cc(F)ccc1CBr.NCCn1cc2c(n1)c(N)nc1cc(-c3ccn[nH]3)ccc12.Nc1nc2cc(-c3ccn[nH]3)ccc2c2cn(CCN3Cc4ccc(F)cc4C3=O)nc12
• InChI: InChI=1S/C23H18FN7O.C15H15N7.C9H8BrFO2/c24-15-3-1-14-11-30(23(32)17(14)10-15)7-8-31-12-18-16-4-2-13(19-5-6-26-28-19)9-20(16)27-22(25)21(18)29-31;16-4-6-22-8-11-10-2-1-9(12-3-5-18-20-12)7-13(10)19-15(17)14(11)21-22;1-13-9(12)8-4-7(11)3-2-6(8)5-10/h1-6,9-10,12H,7-8,11H2,(H2,25,27)(H,26,28);1-3,5,7-8H,4,6,16H2,(H2,17,19)(H,18,20);2-4H,5H2,1H3
• InChIKey: GMZIFWVGDCYHMC-UHFFFAOYSA-N
• XLogP: 7.37
• TPSA: 243.45 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 14
• Rotatable Bonds: 9
• Heavy Atoms: 67
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	967.84
LogP ≤ 5	7.37
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	14

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminoethyl)-7-(1H-pyrazol-5-yl)pyrazolo[3,4-c]quinolin-4-amine;2-[2-[4-amino-7-(1H-pyrazol-5-yl)pyrazolo[3,4-c]quinolin-2-yl]ethyl]-6-fluoro-3H-isoindol-1-one;methyl 2-(bromomethyl)-5-fluorobenzoate?

The IUPAC name of 2-(2-aminoethyl)-7-(1H-pyrazol-5-yl)pyrazolo[3,4-c]quinolin-4-amine;2-[2-[4-amino-7-(1H-pyrazol-5-yl)pyrazolo[3,4-c]quinolin-2-yl]ethyl]-6-fluoro-3H-isoindol-1-one;methyl 2-(bromomethyl)-5-fluorobenzoate (CID 158305136) is 2-(2-aminoethyl)-7-(1H-pyrazol-5-yl)pyrazolo[3,4-c]quinolin-4-amine;2-[2-[4-amino-7-(1H-pyrazol-5-yl)pyrazolo[3,4-c]quinolin-2-yl]ethyl]-6-fluoro-3H-isoindol-1-one;methyl 2-(bromomethyl)-5-fluorobenzoate.

What is the SMILES notation for 2-(2-aminoethyl)-7-(1H-pyrazol-5-yl)pyrazolo[3,4-c]quinolin-4-amine;2-[2-[4-amino-7-(1H-pyrazol-5-yl)pyrazolo[3,4-c]quinolin-2-yl]ethyl]-6-fluoro-3H-isoindol-1-one;methyl 2-(bromomethyl)-5-fluorobenzoate?

The canonical SMILES for 2-(2-aminoethyl)-7-(1H-pyrazol-5-yl)pyrazolo[3,4-c]quinolin-4-amine;2-[2-[4-amino-7-(1H-pyrazol-5-yl)pyrazolo[3,4-c]quinolin-2-yl]ethyl]-6-fluoro-3H-isoindol-1-one;methyl 2-(bromomethyl)-5-fluorobenzoate is COC(=O)c1cc(F)ccc1CBr.NCCn1cc2c(n1)c(N)nc1cc(-c3ccn[nH]3)ccc12.Nc1nc2cc(-c3ccn[nH]3)ccc2c2cn(CCN3Cc4ccc(F)cc4C3=O)nc12.

What is the InChIKey of 2-(2-aminoethyl)-7-(1H-pyrazol-5-yl)pyrazolo[3,4-c]quinolin-4-amine;2-[2-[4-amino-7-(1H-pyrazol-5-yl)pyrazolo[3,4-c]quinolin-2-yl]ethyl]-6-fluoro-3H-isoindol-1-one;methyl 2-(bromomethyl)-5-fluorobenzoate?

The InChIKey is GMZIFWVGDCYHMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18FN7O.C15H15N7.C9H8BrFO2/c24-15-3-1-14-11-30(23(32)17(14)10-15)7-8-31-12-18-16-4-2-13(19-5-6-26-28-19)9-20(16)27-22(25)21(18)29-31;16-4-6-22-8-11-10-2-1-9(12-3-5-18-20-12)7-13(10)19-15(17)14(11)21-22;1-13-9(12)8-4-7(11)3-2-6(8)5-10/h1-6,9-10,12H,7-8,11H2,(H2,25,27)(H,26,28);1-3,5,7-8H,4,6,16H2,(H2,17,19)(H,18,20);2-4H,5H2,1H3.

What are the key properties of 2-(2-aminoethyl)-7-(1H-pyrazol-5-yl)pyrazolo[3,4-c]quinolin-4-amine;2-[2-[4-amino-7-(1H-pyrazol-5-yl)pyrazolo[3,4-c]quinolin-2-yl]ethyl]-6-fluoro-3H-isoindol-1-one;methyl 2-(bromomethyl)-5-fluorobenzoate?

2-(2-aminoethyl)-7-(1H-pyrazol-5-yl)pyrazolo[3,4-c]quinolin-4-amine;2-[2-[4-amino-7-(1H-pyrazol-5-yl)pyrazolo[3,4-c]quinolin-2-yl]ethyl]-6-fluoro-3H-isoindol-1-one;methyl 2-(bromomethyl)-5-fluorobenzoate has a molecular weight of 967.84 g/mol, XLogP of 7.37, 9 rotatable bonds, 5 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(2-aminoethyl)-7-(1H-pyrazol-5-yl)pyrazolo[3,4-c]quinolin-4-amine;2-[2-[4-amino-7-(1H-pyrazol-5-yl)pyrazolo[3,4-c]quinolin-2-yl]ethyl]-6-fluoro-3H-isoindol-1-one;methyl 2-(bromomethyl)-5-fluorobenzoate is sourced from PubChem (CID 158305136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).