5-(cyclopropylmethoxymethyl)-2-(pyridin-2-ylmethyl)-3,4-dihydro-1H-2,7-naphthyridine;tris(2,2,2-trifluoroacetic acid)

C25H26F9N3O7 — CID 118747063

About 5-(cyclopropylmethoxymethyl)-2-(pyridin-2-ylmethyl)-3,4-dihydro-1H-2,7-naphthyridine;tris(2,2,2-trifluoroacetic acid)

5-(cyclopropylmethoxymethyl)-2-(pyridin-2-ylmethyl)-3,4-dihydro-1H-2,7-naphthyridine;tris(2,2,2-trifluoroacetic acid) (PubChem CID 118747063) has the molecular formula C25H26F9N3O7 and a molecular weight of 651.48 g/mol. Its IUPAC name is 5-(cyclopropylmethoxymethyl)-2-(pyridin-2-ylmethyl)-3,4-dihydro-1H-2,7-naphthyridine;tris(2,2,2-trifluoroacetic acid).

Molecular Properties

• Compound Name: 5-(cyclopropylmethoxymethyl)-2-(pyridin-2-ylmethyl)-3,4-dihydro-1H-2,7-naphthyridine;tris(2,2,2-trifluoroacetic acid)
• PubChem CID: 118747063
• Molecular Formula: C25H26F9N3O7
• Molecular Weight: 651.48 g/mol
• Exact Mass: 651.16
• IUPAC Name: 5-(cyclopropylmethoxymethyl)-2-(pyridin-2-ylmethyl)-3,4-dihydro-1H-2,7-naphthyridine;tris(2,2,2-trifluoroacetic acid)
• SMILES: O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.c1ccc(CN2CCc3c(COCC4CC4)cncc3C2)nc1
• InChI: InChI=1S/C19H23N3O.3C2HF3O2/c1-2-7-21-18(3-1)12-22-8-6-19-16(11-22)9-20-10-17(19)14-23-13-15-4-5-15;3*3-2(4,5)1(6)7/h1-3,7,9-10,15H,4-6,8,11-14H2;3*(H,6,7)
• InChIKey: PLGIKHFTHUZBDM-UHFFFAOYSA-N
• XLogP: 4.86
• TPSA: 150.15 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	651.48
LogP ≤ 5	4.86
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 5-(cyclopropylmethoxymethyl)-2-(pyridin-2-ylmethyl)-3,4-dihydro-1H-2,7-naphthyridine;tris(2,2,2-trifluoroacetic acid)?

The IUPAC name of 5-(cyclopropylmethoxymethyl)-2-(pyridin-2-ylmethyl)-3,4-dihydro-1H-2,7-naphthyridine;tris(2,2,2-trifluoroacetic acid) (CID 118747063) is 5-(cyclopropylmethoxymethyl)-2-(pyridin-2-ylmethyl)-3,4-dihydro-1H-2,7-naphthyridine;tris(2,2,2-trifluoroacetic acid).

What is the SMILES notation for 5-(cyclopropylmethoxymethyl)-2-(pyridin-2-ylmethyl)-3,4-dihydro-1H-2,7-naphthyridine;tris(2,2,2-trifluoroacetic acid)?

The canonical SMILES for 5-(cyclopropylmethoxymethyl)-2-(pyridin-2-ylmethyl)-3,4-dihydro-1H-2,7-naphthyridine;tris(2,2,2-trifluoroacetic acid) is O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.c1ccc(CN2CCc3c(COCC4CC4)cncc3C2)nc1.

What is the InChIKey of 5-(cyclopropylmethoxymethyl)-2-(pyridin-2-ylmethyl)-3,4-dihydro-1H-2,7-naphthyridine;tris(2,2,2-trifluoroacetic acid)?

The InChIKey is PLGIKHFTHUZBDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O.3C2HF3O2/c1-2-7-21-18(3-1)12-22-8-6-19-16(11-22)9-20-10-17(19)14-23-13-15-4-5-15;3*3-2(4,5)1(6)7/h1-3,7,9-10,15H,4-6,8,11-14H2;3*(H,6,7).

What are the key properties of 5-(cyclopropylmethoxymethyl)-2-(pyridin-2-ylmethyl)-3,4-dihydro-1H-2,7-naphthyridine;tris(2,2,2-trifluoroacetic acid)?

5-(cyclopropylmethoxymethyl)-2-(pyridin-2-ylmethyl)-3,4-dihydro-1H-2,7-naphthyridine;tris(2,2,2-trifluoroacetic acid) has a molecular weight of 651.48 g/mol, XLogP of 4.86, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(cyclopropylmethoxymethyl)-2-(pyridin-2-ylmethyl)-3,4-dihydro-1H-2,7-naphthyridine;tris(2,2,2-trifluoroacetic acid) is sourced from PubChem (CID 118747063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).