6-(1-methylpyrazol-4-yl)-7-(trifluoromethyl)-1,2,3,4-tetrahydro-1,5-naphthyridine

C13H13F3N4 — CID 139530362

IUPAC6-(1-methylpyrazol-4-yl)-7-(trifluoromethyl)-1,2,3,4-tetrahydro-1,5-naphthyridine
SMILESCn1cc(-c2nc3c(cc2C(F)(F)F)NCCC3)cn1
InChIInChI=1S/C13H13F3N4/c1-20-7-8(6-18-20)12-9(13(14,15)16)5-11-10(19-12)3-2-4-17-11/h5-7,17H,2-4H2,1H3
InChIKeyKOPXKDFLYGLTQN-UHFFFAOYSA-N
MW282.27 g/mol
LogP2.86
Rot. Bonds1

About 6-(1-methylpyrazol-4-yl)-7-(trifluoromethyl)-1,2,3,4-tetrahydro-1,5-naphthyridine

6-(1-methylpyrazol-4-yl)-7-(trifluoromethyl)-1,2,3,4-tetrahydro-1,5-naphthyridine (PubChem CID 139530362) has the molecular formula C13H13F3N4 and a molecular weight of 282.27 g/mol. Its IUPAC name is 6-(1-methylpyrazol-4-yl)-7-(trifluoromethyl)-1,2,3,4-tetrahydro-1,5-naphthyridine.

Molecular Properties

Compound Name6-(1-methylpyrazol-4-yl)-7-(trifluoromethyl)-1,2,3,4-tetrahydro-1,5-naphthyridine
PubChem CID139530362
Molecular FormulaC13H13F3N4
Molecular Weight282.27 g/mol
Exact Mass282.11
IUPAC Name6-(1-methylpyrazol-4-yl)-7-(trifluoromethyl)-1,2,3,4-tetrahydro-1,5-naphthyridine
SMILESCn1cc(-c2nc3c(cc2C(F)(F)F)NCCC3)cn1
InChIInChI=1S/C13H13F3N4/c1-20-7-8(6-18-20)12-9(13(14,15)16)5-11-10(19-12)3-2-4-17-11/h5-7,17H,2-4H2,1H3
InChIKeyKOPXKDFLYGLTQN-UHFFFAOYSA-N
XLogP2.86
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.27
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(1-methylpyrazol-4-yl)-7-(trifluoromethyl)-1,2,3,4-tetrahydro-1,5-naphthyridine?
The IUPAC name of 6-(1-methylpyrazol-4-yl)-7-(trifluoromethyl)-1,2,3,4-tetrahydro-1,5-naphthyridine (CID 139530362) is 6-(1-methylpyrazol-4-yl)-7-(trifluoromethyl)-1,2,3,4-tetrahydro-1,5-naphthyridine.
What is the SMILES notation for 6-(1-methylpyrazol-4-yl)-7-(trifluoromethyl)-1,2,3,4-tetrahydro-1,5-naphthyridine?
The canonical SMILES for 6-(1-methylpyrazol-4-yl)-7-(trifluoromethyl)-1,2,3,4-tetrahydro-1,5-naphthyridine is Cn1cc(-c2nc3c(cc2C(F)(F)F)NCCC3)cn1.
What is the InChIKey of 6-(1-methylpyrazol-4-yl)-7-(trifluoromethyl)-1,2,3,4-tetrahydro-1,5-naphthyridine?
The InChIKey is KOPXKDFLYGLTQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F3N4/c1-20-7-8(6-18-20)12-9(13(14,15)16)5-11-10(19-12)3-2-4-17-11/h5-7,17H,2-4H2,1H3.
What are the key properties of 6-(1-methylpyrazol-4-yl)-7-(trifluoromethyl)-1,2,3,4-tetrahydro-1,5-naphthyridine?
6-(1-methylpyrazol-4-yl)-7-(trifluoromethyl)-1,2,3,4-tetrahydro-1,5-naphthyridine has a molecular weight of 282.27 g/mol, XLogP of 2.86, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-methylpyrazol-4-yl)-7-(trifluoromethyl)-1,2,3,4-tetrahydro-1,5-naphthyridine is sourced from PubChem (CID 139530362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).