1-[3-[(4-methoxyphenyl)methyl]-8,9-dihydro-6H-pyrazolo[4,3-f][2,7]naphthyridin-7-yl]-2-phenylethanone;3-[(4-methoxyphenyl)methyl]-6,7,8,9-tetrahydropyrazolo[3,4-c][2,7]naphthyridine;2-phenylacetyl chloride;2-phenyl-1-(3,6,8,9-tetrahydropyrazolo[4,3-f][2,7]naphthyridin-7-yl)ethanone;2,2,2-trifluoroacetic acid

C69H66ClF3N12O7 — CID 160960194

About 1-[3-[(4-methoxyphenyl)methyl]-8,9-dihydro-6H-pyrazolo[4,3-f][2,7]naphthyridin-7-yl]-2-phenylethanone;3-[(4-methoxyphenyl)methyl]-6,7,8,9-tetrahydropyrazolo[3,4-c][2,7]naphthyridine;2-phenylacetyl chloride;2-phenyl-1-(3,6,8,9-tetrahydropyrazolo[4,3-f][2,7]naphthyridin-7-yl)ethanone;2,2,2-trifluoroacetic acid

1-[3-[(4-methoxyphenyl)methyl]-8,9-dihydro-6H-pyrazolo[4,3-f][2,7]naphthyridin-7-yl]-2-phenylethanone;3-[(4-methoxyphenyl)methyl]-6,7,8,9-tetrahydropyrazolo[3,4-c][2,7]naphthyridine;2-phenylacetyl chloride;2-phenyl-1-(3,6,8,9-tetrahydropyrazolo[4,3-f][2,7]naphthyridin-7-yl)ethanone;2,2,2-trifluoroacetic acid (PubChem CID 160960194) has the molecular formula C69H66ClF3N12O7 and a molecular weight of 1267.81 g/mol. Its IUPAC name is 1-[3-[(4-methoxyphenyl)methyl]-8,9-dihydro-6H-pyrazolo[4,3-f][2,7]naphthyridin-7-yl]-2-phenylethanone;3-[(4-methoxyphenyl)methyl]-6,7,8,9-tetrahydropyrazolo[3,4-c][2,7]naphthyridine;2-phenylacetyl chloride;2-phenyl-1-(3,6,8,9-tetrahydropyrazolo[4,3-f][2,7]naphthyridin-7-yl)ethanone;2,2,2-trifluoroacetic acid.

Molecular Properties

• Compound Name: 1-[3-[(4-methoxyphenyl)methyl]-8,9-dihydro-6H-pyrazolo[4,3-f][2,7]naphthyridin-7-yl]-2-phenylethanone;3-[(4-methoxyphenyl)methyl]-6,7,8,9-tetrahydropyrazolo[3,4-c][2,7]naphthyridine;2-phenylacetyl chloride;2-phenyl-1-(3,6,8,9-tetrahydropyrazolo[4,3-f][2,7]naphthyridin-7-yl)ethanone;2,2,2-trifluoroacetic acid
• PubChem CID: 160960194
• Molecular Formula: C69H66ClF3N12O7
• Molecular Weight: 1267.81 g/mol
• Exact Mass: 1266.48
• IUPAC Name: 1-[3-[(4-methoxyphenyl)methyl]-8,9-dihydro-6H-pyrazolo[4,3-f][2,7]naphthyridin-7-yl]-2-phenylethanone;3-[(4-methoxyphenyl)methyl]-6,7,8,9-tetrahydropyrazolo[3,4-c][2,7]naphthyridine;2-phenylacetyl chloride;2-phenyl-1-(3,6,8,9-tetrahydropyrazolo[4,3-f][2,7]naphthyridin-7-yl)ethanone;2,2,2-trifluoroacetic acid
• SMILES: COc1ccc(Cn2ncc3c4c(cnc32)CN(C(=O)Cc2ccccc2)CC4)cc1.COc1ccc(Cn2ncc3c4c(cnc32)CNCC4)cc1.O=C(Cc1ccccc1)N1CCc2c(cnc3[nH]ncc23)C1.O=C(Cl)Cc1ccccc1.O=C(O)C(F)(F)F
• InChI: InChI=1S/C25H24N4O2.C17H18N4O.C17H16N4O.C8H7ClO.C2HF3O2/c1-31-21-9-7-19(8-10-21)16-29-25-23(15-27-29)22-11-12-28(17-20(22)14-26-25)24(30)13-18-5-3-2-4-6-18;1-22-14-4-2-12(3-5-14)11-21-17-16(10-20-21)15-6-7-18-8-13(15)9-19-17;22-16(8-12-4-2-1-3-5-12)21-7-6-14-13(11-21)9-18-17-15(14)10-19-20-17;9-8(10)6-7-4-2-1-3-5-7;3-2(4,5)1(6)7/h2-10,14-15H,11-13,16-17H2,1H3;2-5,9-10,18H,6-8,11H2,1H3;1-5,9-10H,6-8,11H2,(H,18,19,20);1-5H,6H2;(H,6,7)
• InChIKey: RENCXOINQRQLDY-UHFFFAOYSA-N
• XLogP: 10.46
• TPSA: 228.47 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 15
• Rotatable Bonds: 12
• Heavy Atoms: 92
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1267.81
LogP ≤ 5	10.46
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	15

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-[3-[(4-methoxyphenyl)methyl]-8,9-dihydro-6H-pyrazolo[4,3-f][2,7]naphthyridin-7-yl]-2-phenylethanone;3-[(4-methoxyphenyl)methyl]-6,7,8,9-tetrahydropyrazolo[3,4-c][2,7]naphthyridine;2-phenylacetyl chloride;2-phenyl-1-(3,6,8,9-tetrahydropyrazolo[4,3-f][2,7]naphthyridin-7-yl)ethanone;2,2,2-trifluoroacetic acid?

The IUPAC name of 1-[3-[(4-methoxyphenyl)methyl]-8,9-dihydro-6H-pyrazolo[4,3-f][2,7]naphthyridin-7-yl]-2-phenylethanone;3-[(4-methoxyphenyl)methyl]-6,7,8,9-tetrahydropyrazolo[3,4-c][2,7]naphthyridine;2-phenylacetyl chloride;2-phenyl-1-(3,6,8,9-tetrahydropyrazolo[4,3-f][2,7]naphthyridin-7-yl)ethanone;2,2,2-trifluoroacetic acid (CID 160960194) is 1-[3-[(4-methoxyphenyl)methyl]-8,9-dihydro-6H-pyrazolo[4,3-f][2,7]naphthyridin-7-yl]-2-phenylethanone;3-[(4-methoxyphenyl)methyl]-6,7,8,9-tetrahydropyrazolo[3,4-c][2,7]naphthyridine;2-phenylacetyl chloride;2-phenyl-1-(3,6,8,9-tetrahydropyrazolo[4,3-f][2,7]naphthyridin-7-yl)ethanone;2,2,2-trifluoroacetic acid.

What is the SMILES notation for 1-[3-[(4-methoxyphenyl)methyl]-8,9-dihydro-6H-pyrazolo[4,3-f][2,7]naphthyridin-7-yl]-2-phenylethanone;3-[(4-methoxyphenyl)methyl]-6,7,8,9-tetrahydropyrazolo[3,4-c][2,7]naphthyridine;2-phenylacetyl chloride;2-phenyl-1-(3,6,8,9-tetrahydropyrazolo[4,3-f][2,7]naphthyridin-7-yl)ethanone;2,2,2-trifluoroacetic acid?

The canonical SMILES for 1-[3-[(4-methoxyphenyl)methyl]-8,9-dihydro-6H-pyrazolo[4,3-f][2,7]naphthyridin-7-yl]-2-phenylethanone;3-[(4-methoxyphenyl)methyl]-6,7,8,9-tetrahydropyrazolo[3,4-c][2,7]naphthyridine;2-phenylacetyl chloride;2-phenyl-1-(3,6,8,9-tetrahydropyrazolo[4,3-f][2,7]naphthyridin-7-yl)ethanone;2,2,2-trifluoroacetic acid is COc1ccc(Cn2ncc3c4c(cnc32)CN(C(=O)Cc2ccccc2)CC4)cc1.COc1ccc(Cn2ncc3c4c(cnc32)CNCC4)cc1.O=C(Cc1ccccc1)N1CCc2c(cnc3[nH]ncc23)C1.O=C(Cl)Cc1ccccc1.O=C(O)C(F)(F)F.

What is the InChIKey of 1-[3-[(4-methoxyphenyl)methyl]-8,9-dihydro-6H-pyrazolo[4,3-f][2,7]naphthyridin-7-yl]-2-phenylethanone;3-[(4-methoxyphenyl)methyl]-6,7,8,9-tetrahydropyrazolo[3,4-c][2,7]naphthyridine;2-phenylacetyl chloride;2-phenyl-1-(3,6,8,9-tetrahydropyrazolo[4,3-f][2,7]naphthyridin-7-yl)ethanone;2,2,2-trifluoroacetic acid?

The InChIKey is RENCXOINQRQLDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N4O2.C17H18N4O.C17H16N4O.C8H7ClO.C2HF3O2/c1-31-21-9-7-19(8-10-21)16-29-25-23(15-27-29)22-11-12-28(17-20(22)14-26-25)24(30)13-18-5-3-2-4-6-18;1-22-14-4-2-12(3-5-14)11-21-17-16(10-20-21)15-6-7-18-8-13(15)9-19-17;22-16(8-12-4-2-1-3-5-12)21-7-6-14-13(11-21)9-18-17-15(14)10-19-20-17;9-8(10)6-7-4-2-1-3-5-7;3-2(4,5)1(6)7/h2-10,14-15H,11-13,16-17H2,1H3;2-5,9-10,18H,6-8,11H2,1H3;1-5,9-10H,6-8,11H2,(H,18,19,20);1-5H,6H2;(H,6,7).

What are the key properties of 1-[3-[(4-methoxyphenyl)methyl]-8,9-dihydro-6H-pyrazolo[4,3-f][2,7]naphthyridin-7-yl]-2-phenylethanone;3-[(4-methoxyphenyl)methyl]-6,7,8,9-tetrahydropyrazolo[3,4-c][2,7]naphthyridine;2-phenylacetyl chloride;2-phenyl-1-(3,6,8,9-tetrahydropyrazolo[4,3-f][2,7]naphthyridin-7-yl)ethanone;2,2,2-trifluoroacetic acid?

1-[3-[(4-methoxyphenyl)methyl]-8,9-dihydro-6H-pyrazolo[4,3-f][2,7]naphthyridin-7-yl]-2-phenylethanone;3-[(4-methoxyphenyl)methyl]-6,7,8,9-tetrahydropyrazolo[3,4-c][2,7]naphthyridine;2-phenylacetyl chloride;2-phenyl-1-(3,6,8,9-tetrahydropyrazolo[4,3-f][2,7]naphthyridin-7-yl)ethanone;2,2,2-trifluoroacetic acid has a molecular weight of 1267.81 g/mol, XLogP of 10.46, 12 rotatable bonds, 3 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[3-[(4-methoxyphenyl)methyl]-8,9-dihydro-6H-pyrazolo[4,3-f][2,7]naphthyridin-7-yl]-2-phenylethanone;3-[(4-methoxyphenyl)methyl]-6,7,8,9-tetrahydropyrazolo[3,4-c][2,7]naphthyridine;2-phenylacetyl chloride;2-phenyl-1-(3,6,8,9-tetrahydropyrazolo[4,3-f][2,7]naphthyridin-7-yl)ethanone;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 160960194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).