3,7-bis[(4-methoxyphenyl)methyl]-8,9-dihydro-6H-pyrazolo[3,4-c][2,7]naphthyridine;4-methoxybenzaldehyde;3-[(4-methoxyphenyl)methyl]-6,7,8,9-tetrahydropyrazolo[3,4-c][2,7]naphthyridine;7-[(4-methoxyphenyl)methyl]-3,6,8,9-tetrahydropyrazolo[3,4-c][2,7]naphthyridine;2,2,2-trifluoroacetic acid

C69H71F3N12O8 — CID 160549982

About 3,7-bis[(4-methoxyphenyl)methyl]-8,9-dihydro-6H-pyrazolo[3,4-c][2,7]naphthyridine;4-methoxybenzaldehyde;3-[(4-methoxyphenyl)methyl]-6,7,8,9-tetrahydropyrazolo[3,4-c][2,7]naphthyridine;7-[(4-methoxyphenyl)methyl]-3,6,8,9-tetrahydropyrazolo[3,4-c][2,7]naphthyridine;2,2,2-trifluoroacetic acid

3,7-bis[(4-methoxyphenyl)methyl]-8,9-dihydro-6H-pyrazolo[3,4-c][2,7]naphthyridine;4-methoxybenzaldehyde;3-[(4-methoxyphenyl)methyl]-6,7,8,9-tetrahydropyrazolo[3,4-c][2,7]naphthyridine;7-[(4-methoxyphenyl)methyl]-3,6,8,9-tetrahydropyrazolo[3,4-c][2,7]naphthyridine;2,2,2-trifluoroacetic acid (PubChem CID 160549982) has the molecular formula C69H71F3N12O8 and a molecular weight of 1253.40 g/mol. Its IUPAC name is 3,7-bis[(4-methoxyphenyl)methyl]-8,9-dihydro-6H-pyrazolo[3,4-c][2,7]naphthyridine;4-methoxybenzaldehyde;3-[(4-methoxyphenyl)methyl]-6,7,8,9-tetrahydropyrazolo[3,4-c][2,7]naphthyridine;7-[(4-methoxyphenyl)methyl]-3,6,8,9-tetrahydropyrazolo[3,4-c][2,7]naphthyridine;2,2,2-trifluoroacetic acid.

Molecular Properties

• Compound Name: 3,7-bis[(4-methoxyphenyl)methyl]-8,9-dihydro-6H-pyrazolo[3,4-c][2,7]naphthyridine;4-methoxybenzaldehyde;3-[(4-methoxyphenyl)methyl]-6,7,8,9-tetrahydropyrazolo[3,4-c][2,7]naphthyridine;7-[(4-methoxyphenyl)methyl]-3,6,8,9-tetrahydropyrazolo[3,4-c][2,7]naphthyridine;2,2,2-trifluoroacetic acid
• PubChem CID: 160549982
• Molecular Formula: C69H71F3N12O8
• Molecular Weight: 1253.40 g/mol
• Exact Mass: 1252.55
• IUPAC Name: 3,7-bis[(4-methoxyphenyl)methyl]-8,9-dihydro-6H-pyrazolo[3,4-c][2,7]naphthyridine;4-methoxybenzaldehyde;3-[(4-methoxyphenyl)methyl]-6,7,8,9-tetrahydropyrazolo[3,4-c][2,7]naphthyridine;7-[(4-methoxyphenyl)methyl]-3,6,8,9-tetrahydropyrazolo[3,4-c][2,7]naphthyridine;2,2,2-trifluoroacetic acid
• SMILES: COc1ccc(C=O)cc1.COc1ccc(CN2CCc3c(cnc4[nH]ncc34)C2)cc1.COc1ccc(CN2CCc3c(cnc4c3cnn4Cc3ccc(OC)cc3)C2)cc1.COc1ccc(Cn2ncc3c4c(cnc32)CNCC4)cc1.O=C(O)C(F)(F)F
• InChI: InChI=1S/C25H26N4O2.2C17H18N4O.C8H8O2.C2HF3O2/c1-30-21-7-3-18(4-8-21)15-28-12-11-23-20(17-28)13-26-25-24(23)14-27-29(25)16-19-5-9-22(31-2)10-6-19;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;1-22-14-4-2-12(3-5-14)10-21-7-6-15-13(11-21)8-18-17-16(15)9-19-20-17;1-10-8-4-2-7(6-9)3-5-8;3-2(4,5)1(6)7/h3-10,13-14H,11-12,15-17H2,1-2H3;2-5,9-10,18H,6-8,11H2,1H3;2-5,8-9H,6-7,10-11H2,1H3,(H,18,19,20);2-6H,1H3;(H,6,7)
• InChIKey: WZIXTCLTBFHRLX-UHFFFAOYSA-N
• XLogP: 10.85
• TPSA: 222.02 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 18
• Rotatable Bonds: 14
• Heavy Atoms: 92
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1253.40
LogP ≤ 5	10.85
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	18

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3,7-bis[(4-methoxyphenyl)methyl]-8,9-dihydro-6H-pyrazolo[3,4-c][2,7]naphthyridine;4-methoxybenzaldehyde;3-[(4-methoxyphenyl)methyl]-6,7,8,9-tetrahydropyrazolo[3,4-c][2,7]naphthyridine;7-[(4-methoxyphenyl)methyl]-3,6,8,9-tetrahydropyrazolo[3,4-c][2,7]naphthyridine;2,2,2-trifluoroacetic acid?

The IUPAC name of 3,7-bis[(4-methoxyphenyl)methyl]-8,9-dihydro-6H-pyrazolo[3,4-c][2,7]naphthyridine;4-methoxybenzaldehyde;3-[(4-methoxyphenyl)methyl]-6,7,8,9-tetrahydropyrazolo[3,4-c][2,7]naphthyridine;7-[(4-methoxyphenyl)methyl]-3,6,8,9-tetrahydropyrazolo[3,4-c][2,7]naphthyridine;2,2,2-trifluoroacetic acid (CID 160549982) is 3,7-bis[(4-methoxyphenyl)methyl]-8,9-dihydro-6H-pyrazolo[3,4-c][2,7]naphthyridine;4-methoxybenzaldehyde;3-[(4-methoxyphenyl)methyl]-6,7,8,9-tetrahydropyrazolo[3,4-c][2,7]naphthyridine;7-[(4-methoxyphenyl)methyl]-3,6,8,9-tetrahydropyrazolo[3,4-c][2,7]naphthyridine;2,2,2-trifluoroacetic acid.

What is the SMILES notation for 3,7-bis[(4-methoxyphenyl)methyl]-8,9-dihydro-6H-pyrazolo[3,4-c][2,7]naphthyridine;4-methoxybenzaldehyde;3-[(4-methoxyphenyl)methyl]-6,7,8,9-tetrahydropyrazolo[3,4-c][2,7]naphthyridine;7-[(4-methoxyphenyl)methyl]-3,6,8,9-tetrahydropyrazolo[3,4-c][2,7]naphthyridine;2,2,2-trifluoroacetic acid?

The canonical SMILES for 3,7-bis[(4-methoxyphenyl)methyl]-8,9-dihydro-6H-pyrazolo[3,4-c][2,7]naphthyridine;4-methoxybenzaldehyde;3-[(4-methoxyphenyl)methyl]-6,7,8,9-tetrahydropyrazolo[3,4-c][2,7]naphthyridine;7-[(4-methoxyphenyl)methyl]-3,6,8,9-tetrahydropyrazolo[3,4-c][2,7]naphthyridine;2,2,2-trifluoroacetic acid is COc1ccc(C=O)cc1.COc1ccc(CN2CCc3c(cnc4[nH]ncc34)C2)cc1.COc1ccc(CN2CCc3c(cnc4c3cnn4Cc3ccc(OC)cc3)C2)cc1.COc1ccc(Cn2ncc3c4c(cnc32)CNCC4)cc1.O=C(O)C(F)(F)F.

What is the InChIKey of 3,7-bis[(4-methoxyphenyl)methyl]-8,9-dihydro-6H-pyrazolo[3,4-c][2,7]naphthyridine;4-methoxybenzaldehyde;3-[(4-methoxyphenyl)methyl]-6,7,8,9-tetrahydropyrazolo[3,4-c][2,7]naphthyridine;7-[(4-methoxyphenyl)methyl]-3,6,8,9-tetrahydropyrazolo[3,4-c][2,7]naphthyridine;2,2,2-trifluoroacetic acid?

The InChIKey is WZIXTCLTBFHRLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N4O2.2C17H18N4O.C8H8O2.C2HF3O2/c1-30-21-7-3-18(4-8-21)15-28-12-11-23-20(17-28)13-26-25-24(23)14-27-29(25)16-19-5-9-22(31-2)10-6-19;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;1-22-14-4-2-12(3-5-14)10-21-7-6-15-13(11-21)8-18-17-16(15)9-19-20-17;1-10-8-4-2-7(6-9)3-5-8;3-2(4,5)1(6)7/h3-10,13-14H,11-12,15-17H2,1-2H3;2-5,9-10,18H,6-8,11H2,1H3;2-5,8-9H,6-7,10-11H2,1H3,(H,18,19,20);2-6H,1H3;(H,6,7).

What are the key properties of 3,7-bis[(4-methoxyphenyl)methyl]-8,9-dihydro-6H-pyrazolo[3,4-c][2,7]naphthyridine;4-methoxybenzaldehyde;3-[(4-methoxyphenyl)methyl]-6,7,8,9-tetrahydropyrazolo[3,4-c][2,7]naphthyridine;7-[(4-methoxyphenyl)methyl]-3,6,8,9-tetrahydropyrazolo[3,4-c][2,7]naphthyridine;2,2,2-trifluoroacetic acid?

3,7-bis[(4-methoxyphenyl)methyl]-8,9-dihydro-6H-pyrazolo[3,4-c][2,7]naphthyridine;4-methoxybenzaldehyde;3-[(4-methoxyphenyl)methyl]-6,7,8,9-tetrahydropyrazolo[3,4-c][2,7]naphthyridine;7-[(4-methoxyphenyl)methyl]-3,6,8,9-tetrahydropyrazolo[3,4-c][2,7]naphthyridine;2,2,2-trifluoroacetic acid has a molecular weight of 1253.40 g/mol, XLogP of 10.85, 14 rotatable bonds, 3 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for 3,7-bis[(4-methoxyphenyl)methyl]-8,9-dihydro-6H-pyrazolo[3,4-c][2,7]naphthyridine;4-methoxybenzaldehyde;3-[(4-methoxyphenyl)methyl]-6,7,8,9-tetrahydropyrazolo[3,4-c][2,7]naphthyridine;7-[(4-methoxyphenyl)methyl]-3,6,8,9-tetrahydropyrazolo[3,4-c][2,7]naphthyridine;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 160549982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).