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

C22H22F9N3O7 — CID 118747143

IUPAC5-(methoxymethyl)-2-(pyridin-2-ylmethyl)-3,4-dihydro-1H-2,7-naphthyridine;tris(2,2,2-trifluoroacetic acid)
SMILESCOCc1cncc2c1CCN(Cc1ccccn1)C2.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F
InChIInChI=1S/C16H19N3O.3C2HF3O2/c1-20-12-14-9-17-8-13-10-19(7-5-16(13)14)11-15-4-2-3-6-18-15;3*3-2(4,5)1(6)7/h2-4,6,8-9H,5,7,10-12H2,1H3;3*(H,6,7)
InChIKeyBFOAABXVANYLRJ-UHFFFAOYSA-N
MW611.41 g/mol
LogP4.08
Rot. Bonds4

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

5-(methoxymethyl)-2-(pyridin-2-ylmethyl)-3,4-dihydro-1H-2,7-naphthyridine;tris(2,2,2-trifluoroacetic acid) (PubChem CID 118747143) has the molecular formula C22H22F9N3O7 and a molecular weight of 611.41 g/mol. Its IUPAC name is 5-(methoxymethyl)-2-(pyridin-2-ylmethyl)-3,4-dihydro-1H-2,7-naphthyridine;tris(2,2,2-trifluoroacetic acid).

Molecular Properties

Compound Name5-(methoxymethyl)-2-(pyridin-2-ylmethyl)-3,4-dihydro-1H-2,7-naphthyridine;tris(2,2,2-trifluoroacetic acid)
PubChem CID118747143
Molecular FormulaC22H22F9N3O7
Molecular Weight611.41 g/mol
Exact Mass611.13
IUPAC Name5-(methoxymethyl)-2-(pyridin-2-ylmethyl)-3,4-dihydro-1H-2,7-naphthyridine;tris(2,2,2-trifluoroacetic acid)
SMILESCOCc1cncc2c1CCN(Cc1ccccn1)C2.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F
InChIInChI=1S/C16H19N3O.3C2HF3O2/c1-20-12-14-9-17-8-13-10-19(7-5-16(13)14)11-15-4-2-3-6-18-15;3*3-2(4,5)1(6)7/h2-4,6,8-9H,5,7,10-12H2,1H3;3*(H,6,7)
InChIKeyBFOAABXVANYLRJ-UHFFFAOYSA-N
XLogP4.08
TPSA150.15 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms41
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500611.41
LogP ≤ 54.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 5-(methoxymethyl)-2-(pyridin-2-ylmethyl)-3,4-dihydro-1H-2,7-naphthyridine;tris(2,2,2-trifluoroacetic acid) with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-(methoxymethyl)-2-(pyridin-2-ylmethyl)-3,4-dihydro-1H-2,7-naphthyridine;tris(2,2,2-trifluoroacetic acid)?
The IUPAC name of 5-(methoxymethyl)-2-(pyridin-2-ylmethyl)-3,4-dihydro-1H-2,7-naphthyridine;tris(2,2,2-trifluoroacetic acid) (CID 118747143) is 5-(methoxymethyl)-2-(pyridin-2-ylmethyl)-3,4-dihydro-1H-2,7-naphthyridine;tris(2,2,2-trifluoroacetic acid).
What is the SMILES notation for 5-(methoxymethyl)-2-(pyridin-2-ylmethyl)-3,4-dihydro-1H-2,7-naphthyridine;tris(2,2,2-trifluoroacetic acid)?
The canonical SMILES for 5-(methoxymethyl)-2-(pyridin-2-ylmethyl)-3,4-dihydro-1H-2,7-naphthyridine;tris(2,2,2-trifluoroacetic acid) is COCc1cncc2c1CCN(Cc1ccccn1)C2.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 5-(methoxymethyl)-2-(pyridin-2-ylmethyl)-3,4-dihydro-1H-2,7-naphthyridine;tris(2,2,2-trifluoroacetic acid)?
The InChIKey is BFOAABXVANYLRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O.3C2HF3O2/c1-20-12-14-9-17-8-13-10-19(7-5-16(13)14)11-15-4-2-3-6-18-15;3*3-2(4,5)1(6)7/h2-4,6,8-9H,5,7,10-12H2,1H3;3*(H,6,7).
What are the key properties of 5-(methoxymethyl)-2-(pyridin-2-ylmethyl)-3,4-dihydro-1H-2,7-naphthyridine;tris(2,2,2-trifluoroacetic acid)?
5-(methoxymethyl)-2-(pyridin-2-ylmethyl)-3,4-dihydro-1H-2,7-naphthyridine;tris(2,2,2-trifluoroacetic acid) has a molecular weight of 611.41 g/mol, XLogP of 4.08, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(methoxymethyl)-2-(pyridin-2-ylmethyl)-3,4-dihydro-1H-2,7-naphthyridine;tris(2,2,2-trifluoroacetic acid) is sourced from PubChem (CID 118747143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).