5-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]-2-(trifluoromethyl)pyrazolo[5,1-f][1,6]naphthyridine

C23H18F3N5 — CID 118708354

IUPAC5-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]-2-(trifluoromethyl)pyrazolo[5,1-f][1,6]naphthyridine
SMILESCn1cc(-c2ccccc2)nc1CCc1cc2ncccc2c2cc(C(F)(F)F)nn12
InChIInChI=1S/C23H18F3N5/c1-30-14-19(15-6-3-2-4-7-15)28-22(30)10-9-16-12-18-17(8-5-11-27-18)20-13-21(23(24,25)26)29-31(16)20/h2-8,11-14H,9-10H2,1H3
InChIKeyLJVSBBFVTOXDPW-UHFFFAOYSA-N
MW421.43 g/mol
LogP5.09
Rot. Bonds4

About 5-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]-2-(trifluoromethyl)pyrazolo[5,1-f][1,6]naphthyridine

5-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]-2-(trifluoromethyl)pyrazolo[5,1-f][1,6]naphthyridine (PubChem CID 118708354) has the molecular formula C23H18F3N5 and a molecular weight of 421.43 g/mol. Its IUPAC name is 5-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]-2-(trifluoromethyl)pyrazolo[5,1-f][1,6]naphthyridine.

Molecular Properties

Compound Name5-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]-2-(trifluoromethyl)pyrazolo[5,1-f][1,6]naphthyridine
PubChem CID118708354
Molecular FormulaC23H18F3N5
Molecular Weight421.43 g/mol
Exact Mass421.15
IUPAC Name5-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]-2-(trifluoromethyl)pyrazolo[5,1-f][1,6]naphthyridine
SMILESCn1cc(-c2ccccc2)nc1CCc1cc2ncccc2c2cc(C(F)(F)F)nn12
InChIInChI=1S/C23H18F3N5/c1-30-14-19(15-6-3-2-4-7-15)28-22(30)10-9-16-12-18-17(8-5-11-27-18)20-13-21(23(24,25)26)29-31(16)20/h2-8,11-14H,9-10H2,1H3
InChIKeyLJVSBBFVTOXDPW-UHFFFAOYSA-N
XLogP5.09
TPSA48.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500421.43
LogP ≤ 55.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]-2-(trifluoromethyl)pyrazolo[5,1-f][1,6]naphthyridine?
The IUPAC name of 5-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]-2-(trifluoromethyl)pyrazolo[5,1-f][1,6]naphthyridine (CID 118708354) is 5-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]-2-(trifluoromethyl)pyrazolo[5,1-f][1,6]naphthyridine.
What is the SMILES notation for 5-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]-2-(trifluoromethyl)pyrazolo[5,1-f][1,6]naphthyridine?
The canonical SMILES for 5-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]-2-(trifluoromethyl)pyrazolo[5,1-f][1,6]naphthyridine is Cn1cc(-c2ccccc2)nc1CCc1cc2ncccc2c2cc(C(F)(F)F)nn12.
What is the InChIKey of 5-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]-2-(trifluoromethyl)pyrazolo[5,1-f][1,6]naphthyridine?
The InChIKey is LJVSBBFVTOXDPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18F3N5/c1-30-14-19(15-6-3-2-4-7-15)28-22(30)10-9-16-12-18-17(8-5-11-27-18)20-13-21(23(24,25)26)29-31(16)20/h2-8,11-14H,9-10H2,1H3.
What are the key properties of 5-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]-2-(trifluoromethyl)pyrazolo[5,1-f][1,6]naphthyridine?
5-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]-2-(trifluoromethyl)pyrazolo[5,1-f][1,6]naphthyridine has a molecular weight of 421.43 g/mol, XLogP of 5.09, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]-2-(trifluoromethyl)pyrazolo[5,1-f][1,6]naphthyridine is sourced from PubChem (CID 118708354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).