2-aminoethanol;2-chloro-1-[3-[(4-methoxyphenyl)methyl]-8,9-dihydro-6H-pyrazolo[4,3-f][2,7]naphthyridin-7-yl]-2-phenylethanone;2-hydroxyethyl-[2-[3-[(4-methoxyphenyl)methyl]-8,9-dihydro-6H-pyrazolo[4,3-f][2,7]naphthyridin-7-yl]-2-oxo-1-phenylethyl]azanium;2-hydroxyethyl-[2-oxo-1-phenyl-2-(3,6,8,9-tetrahydropyrazolo[4,3-f][2,7]naphthyridin-7-yl)ethyl]azanium;bis(2,2,2-trifluoroacetate);2,2,2-trifluoroacetic acid

C79H83ClF9N15O14 — CID 157111073

About 2-aminoethanol;2-chloro-1-[3-[(4-methoxyphenyl)methyl]-8,9-dihydro-6H-pyrazolo[4,3-f][2,7]naphthyridin-7-yl]-2-phenylethanone;2-hydroxyethyl-[2-[3-[(4-methoxyphenyl)methyl]-8,9-dihydro-6H-pyrazolo[4,3-f][2,7]naphthyridin-7-yl]-2-oxo-1-phenylethyl]azanium;2-hydroxyethyl-[2-oxo-1-phenyl-2-(3,6,8,9-tetrahydropyrazolo[4,3-f][2,7]naphthyridin-7-yl)ethyl]azanium;bis(2,2,2-trifluoroacetate);2,2,2-trifluoroacetic acid

2-aminoethanol;2-chloro-1-[3-[(4-methoxyphenyl)methyl]-8,9-dihydro-6H-pyrazolo[4,3-f][2,7]naphthyridin-7-yl]-2-phenylethanone;2-hydroxyethyl-[2-[3-[(4-methoxyphenyl)methyl]-8,9-dihydro-6H-pyrazolo[4,3-f][2,7]naphthyridin-7-yl]-2-oxo-1-phenylethyl]azanium;2-hydroxyethyl-[2-oxo-1-phenyl-2-(3,6,8,9-tetrahydropyrazolo[4,3-f][2,7]naphthyridin-7-yl)ethyl]azanium;bis(2,2,2-trifluoroacetate);2,2,2-trifluoroacetic acid (PubChem CID 157111073) has the molecular formula C79H83ClF9N15O14 and a molecular weight of 1673.06 g/mol. Its IUPAC name is 2-aminoethanol;2-chloro-1-[3-[(4-methoxyphenyl)methyl]-8,9-dihydro-6H-pyrazolo[4,3-f][2,7]naphthyridin-7-yl]-2-phenylethanone;2-hydroxyethyl-[2-[3-[(4-methoxyphenyl)methyl]-8,9-dihydro-6H-pyrazolo[4,3-f][2,7]naphthyridin-7-yl]-2-oxo-1-phenylethyl]azanium;2-hydroxyethyl-[2-oxo-1-phenyl-2-(3,6,8,9-tetrahydropyrazolo[4,3-f][2,7]naphthyridin-7-yl)ethyl]azanium;bis(2,2,2-trifluoroacetate);2,2,2-trifluoroacetic acid.

Molecular Properties

• Compound Name: 2-aminoethanol;2-chloro-1-[3-[(4-methoxyphenyl)methyl]-8,9-dihydro-6H-pyrazolo[4,3-f][2,7]naphthyridin-7-yl]-2-phenylethanone;2-hydroxyethyl-[2-[3-[(4-methoxyphenyl)methyl]-8,9-dihydro-6H-pyrazolo[4,3-f][2,7]naphthyridin-7-yl]-2-oxo-1-phenylethyl]azanium;2-hydroxyethyl-[2-oxo-1-phenyl-2-(3,6,8,9-tetrahydropyrazolo[4,3-f][2,7]naphthyridin-7-yl)ethyl]azanium;bis(2,2,2-trifluoroacetate);2,2,2-trifluoroacetic acid
• PubChem CID: 157111073
• Molecular Formula: C79H83ClF9N15O14
• Molecular Weight: 1673.06 g/mol
• Exact Mass: 1671.58
• IUPAC Name: 2-aminoethanol;2-chloro-1-[3-[(4-methoxyphenyl)methyl]-8,9-dihydro-6H-pyrazolo[4,3-f][2,7]naphthyridin-7-yl]-2-phenylethanone;2-hydroxyethyl-[2-[3-[(4-methoxyphenyl)methyl]-8,9-dihydro-6H-pyrazolo[4,3-f][2,7]naphthyridin-7-yl]-2-oxo-1-phenylethyl]azanium;2-hydroxyethyl-[2-oxo-1-phenyl-2-(3,6,8,9-tetrahydropyrazolo[4,3-f][2,7]naphthyridin-7-yl)ethyl]azanium;bis(2,2,2-trifluoroacetate);2,2,2-trifluoroacetic acid
• SMILES: COc1ccc(Cn2ncc3c4c(cnc32)CN(C(=O)C(Cl)c2ccccc2)CC4)cc1.COc1ccc(Cn2ncc3c4c(cnc32)CN(C(=O)C([NH2+]CCO)c2ccccc2)CC4)cc1.NCCO.O=C(C([NH2+]CCO)c1ccccc1)N1CCc2c(cnc3[nH]ncc23)C1.O=C(O)C(F)(F)F.O=C([O-])C(F)(F)F.O=C([O-])C(F)(F)F
• InChI: InChI=1S/C27H29N5O3.C25H23ClN4O2.C19H21N5O2.3C2HF3O2.C2H7NO/c1-35-22-9-7-19(8-10-22)17-32-26-24(16-30-32)23-11-13-31(18-21(23)15-29-26)27(34)25(28-12-14-33)20-5-3-2-4-6-20;1-32-20-9-7-17(8-10-20)15-30-24-22(14-28-30)21-11-12-29(16-19(21)13-27-24)25(31)23(26)18-5-3-2-4-6-18;25-9-7-20-17(13-4-2-1-3-5-13)19(26)24-8-6-15-14(12-24)10-21-18-16(15)11-22-23-18;3*3-2(4,5)1(6)7;3-1-2-4/h2-10,15-16,25,28,33H,11-14,17-18H2,1H3;2-10,13-14,23H,11-12,15-16H2,1H3;1-5,10-11,17,20,25H,6-9,12H2,(H,21,22,23);3*(H,6,7);4H,1-3H2
• InChIKey: MPIFLEWGRVJYHN-UHFFFAOYSA-N
• XLogP: 4.33
• TPSA: 419.87 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 22
• Rotatable Bonds: 19
• Heavy Atoms: 118
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1673.06
LogP ≤ 5	4.33
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	22

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-aminoethanol;2-chloro-1-[3-[(4-methoxyphenyl)methyl]-8,9-dihydro-6H-pyrazolo[4,3-f][2,7]naphthyridin-7-yl]-2-phenylethanone;2-hydroxyethyl-[2-[3-[(4-methoxyphenyl)methyl]-8,9-dihydro-6H-pyrazolo[4,3-f][2,7]naphthyridin-7-yl]-2-oxo-1-phenylethyl]azanium;2-hydroxyethyl-[2-oxo-1-phenyl-2-(3,6,8,9-tetrahydropyrazolo[4,3-f][2,7]naphthyridin-7-yl)ethyl]azanium;bis(2,2,2-trifluoroacetate);2,2,2-trifluoroacetic acid?

The IUPAC name of 2-aminoethanol;2-chloro-1-[3-[(4-methoxyphenyl)methyl]-8,9-dihydro-6H-pyrazolo[4,3-f][2,7]naphthyridin-7-yl]-2-phenylethanone;2-hydroxyethyl-[2-[3-[(4-methoxyphenyl)methyl]-8,9-dihydro-6H-pyrazolo[4,3-f][2,7]naphthyridin-7-yl]-2-oxo-1-phenylethyl]azanium;2-hydroxyethyl-[2-oxo-1-phenyl-2-(3,6,8,9-tetrahydropyrazolo[4,3-f][2,7]naphthyridin-7-yl)ethyl]azanium;bis(2,2,2-trifluoroacetate);2,2,2-trifluoroacetic acid (CID 157111073) is 2-aminoethanol;2-chloro-1-[3-[(4-methoxyphenyl)methyl]-8,9-dihydro-6H-pyrazolo[4,3-f][2,7]naphthyridin-7-yl]-2-phenylethanone;2-hydroxyethyl-[2-[3-[(4-methoxyphenyl)methyl]-8,9-dihydro-6H-pyrazolo[4,3-f][2,7]naphthyridin-7-yl]-2-oxo-1-phenylethyl]azanium;2-hydroxyethyl-[2-oxo-1-phenyl-2-(3,6,8,9-tetrahydropyrazolo[4,3-f][2,7]naphthyridin-7-yl)ethyl]azanium;bis(2,2,2-trifluoroacetate);2,2,2-trifluoroacetic acid.

What is the SMILES notation for 2-aminoethanol;2-chloro-1-[3-[(4-methoxyphenyl)methyl]-8,9-dihydro-6H-pyrazolo[4,3-f][2,7]naphthyridin-7-yl]-2-phenylethanone;2-hydroxyethyl-[2-[3-[(4-methoxyphenyl)methyl]-8,9-dihydro-6H-pyrazolo[4,3-f][2,7]naphthyridin-7-yl]-2-oxo-1-phenylethyl]azanium;2-hydroxyethyl-[2-oxo-1-phenyl-2-(3,6,8,9-tetrahydropyrazolo[4,3-f][2,7]naphthyridin-7-yl)ethyl]azanium;bis(2,2,2-trifluoroacetate);2,2,2-trifluoroacetic acid?

The canonical SMILES for 2-aminoethanol;2-chloro-1-[3-[(4-methoxyphenyl)methyl]-8,9-dihydro-6H-pyrazolo[4,3-f][2,7]naphthyridin-7-yl]-2-phenylethanone;2-hydroxyethyl-[2-[3-[(4-methoxyphenyl)methyl]-8,9-dihydro-6H-pyrazolo[4,3-f][2,7]naphthyridin-7-yl]-2-oxo-1-phenylethyl]azanium;2-hydroxyethyl-[2-oxo-1-phenyl-2-(3,6,8,9-tetrahydropyrazolo[4,3-f][2,7]naphthyridin-7-yl)ethyl]azanium;bis(2,2,2-trifluoroacetate);2,2,2-trifluoroacetic acid is COc1ccc(Cn2ncc3c4c(cnc32)CN(C(=O)C(Cl)c2ccccc2)CC4)cc1.COc1ccc(Cn2ncc3c4c(cnc32)CN(C(=O)C([NH2+]CCO)c2ccccc2)CC4)cc1.NCCO.O=C(C([NH2+]CCO)c1ccccc1)N1CCc2c(cnc3[nH]ncc23)C1.O=C(O)C(F)(F)F.O=C([O-])C(F)(F)F.O=C([O-])C(F)(F)F.

What is the InChIKey of 2-aminoethanol;2-chloro-1-[3-[(4-methoxyphenyl)methyl]-8,9-dihydro-6H-pyrazolo[4,3-f][2,7]naphthyridin-7-yl]-2-phenylethanone;2-hydroxyethyl-[2-[3-[(4-methoxyphenyl)methyl]-8,9-dihydro-6H-pyrazolo[4,3-f][2,7]naphthyridin-7-yl]-2-oxo-1-phenylethyl]azanium;2-hydroxyethyl-[2-oxo-1-phenyl-2-(3,6,8,9-tetrahydropyrazolo[4,3-f][2,7]naphthyridin-7-yl)ethyl]azanium;bis(2,2,2-trifluoroacetate);2,2,2-trifluoroacetic acid?

The InChIKey is MPIFLEWGRVJYHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29N5O3.C25H23ClN4O2.C19H21N5O2.3C2HF3O2.C2H7NO/c1-35-22-9-7-19(8-10-22)17-32-26-24(16-30-32)23-11-13-31(18-21(23)15-29-26)27(34)25(28-12-14-33)20-5-3-2-4-6-20;1-32-20-9-7-17(8-10-20)15-30-24-22(14-28-30)21-11-12-29(16-19(21)13-27-24)25(31)23(26)18-5-3-2-4-6-18;25-9-7-20-17(13-4-2-1-3-5-13)19(26)24-8-6-15-14(12-24)10-21-18-16(15)11-22-23-18;3*3-2(4,5)1(6)7;3-1-2-4/h2-10,15-16,25,28,33H,11-14,17-18H2,1H3;2-10,13-14,23H,11-12,15-16H2,1H3;1-5,10-11,17,20,25H,6-9,12H2,(H,21,22,23);3*(H,6,7);4H,1-3H2.

What are the key properties of 2-aminoethanol;2-chloro-1-[3-[(4-methoxyphenyl)methyl]-8,9-dihydro-6H-pyrazolo[4,3-f][2,7]naphthyridin-7-yl]-2-phenylethanone;2-hydroxyethyl-[2-[3-[(4-methoxyphenyl)methyl]-8,9-dihydro-6H-pyrazolo[4,3-f][2,7]naphthyridin-7-yl]-2-oxo-1-phenylethyl]azanium;2-hydroxyethyl-[2-oxo-1-phenyl-2-(3,6,8,9-tetrahydropyrazolo[4,3-f][2,7]naphthyridin-7-yl)ethyl]azanium;bis(2,2,2-trifluoroacetate);2,2,2-trifluoroacetic acid?

2-aminoethanol;2-chloro-1-[3-[(4-methoxyphenyl)methyl]-8,9-dihydro-6H-pyrazolo[4,3-f][2,7]naphthyridin-7-yl]-2-phenylethanone;2-hydroxyethyl-[2-[3-[(4-methoxyphenyl)methyl]-8,9-dihydro-6H-pyrazolo[4,3-f][2,7]naphthyridin-7-yl]-2-oxo-1-phenylethyl]azanium;2-hydroxyethyl-[2-oxo-1-phenyl-2-(3,6,8,9-tetrahydropyrazolo[4,3-f][2,7]naphthyridin-7-yl)ethyl]azanium;bis(2,2,2-trifluoroacetate);2,2,2-trifluoroacetic acid has a molecular weight of 1673.06 g/mol, XLogP of 4.33, 19 rotatable bonds, 8 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for 2-aminoethanol;2-chloro-1-[3-[(4-methoxyphenyl)methyl]-8,9-dihydro-6H-pyrazolo[4,3-f][2,7]naphthyridin-7-yl]-2-phenylethanone;2-hydroxyethyl-[2-[3-[(4-methoxyphenyl)methyl]-8,9-dihydro-6H-pyrazolo[4,3-f][2,7]naphthyridin-7-yl]-2-oxo-1-phenylethyl]azanium;2-hydroxyethyl-[2-oxo-1-phenyl-2-(3,6,8,9-tetrahydropyrazolo[4,3-f][2,7]naphthyridin-7-yl)ethyl]azanium;bis(2,2,2-trifluoroacetate);2,2,2-trifluoroacetic acid is sourced from PubChem (CID 157111073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).