[2-[[3-(4-fluorophenyl)-5-methyltriazol-4-yl]methoxy]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]-[6-(trifluoromethyl)-3-pyridinyl]methanone

C25H20F4N6O2 — CID 146468983

IUPAC[2-[[3-(4-fluorophenyl)-5-methyltriazol-4-yl]methoxy]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]-[6-(trifluoromethyl)-3-pyridinyl]methanone
SMILESCc1nnn(-c2ccc(F)cc2)c1COc1ccc2c(n1)CCN(C(=O)c1ccc(C(F)(F)F)nc1)C2
InChIInChI=1S/C25H20F4N6O2/c1-15-21(35(33-32-15)19-6-4-18(26)5-7-19)14-37-23-9-3-17-13-34(11-10-20(17)31-23)24(36)16-2-8-22(30-12-16)25(27,28)29/h2-9,12H,10-11,13-14H2,1H3
InChIKeyNWEBPWVAXYWDGK-UHFFFAOYSA-N
MW512.47 g/mol
LogP4.30
Rot. Bonds5

About [2-[[3-(4-fluorophenyl)-5-methyltriazol-4-yl]methoxy]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]-[6-(trifluoromethyl)-3-pyridinyl]methanone

[2-[[3-(4-fluorophenyl)-5-methyltriazol-4-yl]methoxy]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]-[6-(trifluoromethyl)-3-pyridinyl]methanone (PubChem CID 146468983) has the molecular formula C25H20F4N6O2 and a molecular weight of 512.47 g/mol. Its IUPAC name is [2-[[3-(4-fluorophenyl)-5-methyltriazol-4-yl]methoxy]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]-[6-(trifluoromethyl)-3-pyridinyl]methanone.

Molecular Properties

Compound Name[2-[[3-(4-fluorophenyl)-5-methyltriazol-4-yl]methoxy]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]-[6-(trifluoromethyl)-3-pyridinyl]methanone
PubChem CID146468983
Molecular FormulaC25H20F4N6O2
Molecular Weight512.47 g/mol
Exact Mass512.16
IUPAC Name[2-[[3-(4-fluorophenyl)-5-methyltriazol-4-yl]methoxy]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]-[6-(trifluoromethyl)-3-pyridinyl]methanone
SMILESCc1nnn(-c2ccc(F)cc2)c1COc1ccc2c(n1)CCN(C(=O)c1ccc(C(F)(F)F)nc1)C2
InChIInChI=1S/C25H20F4N6O2/c1-15-21(35(33-32-15)19-6-4-18(26)5-7-19)14-37-23-9-3-17-13-34(11-10-20(17)31-23)24(36)16-2-8-22(30-12-16)25(27,28)29/h2-9,12H,10-11,13-14H2,1H3
InChIKeyNWEBPWVAXYWDGK-UHFFFAOYSA-N
XLogP4.30
TPSA86.03 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500512.47
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze [2-[[3-(4-fluorophenyl)-5-methyltriazol-4-yl]methoxy]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]-[6-(trifluoromethyl)-3-pyridinyl]methanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of [2-[[3-(4-fluorophenyl)-5-methyltriazol-4-yl]methoxy]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]-[6-(trifluoromethyl)-3-pyridinyl]methanone?
The IUPAC name of [2-[[3-(4-fluorophenyl)-5-methyltriazol-4-yl]methoxy]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]-[6-(trifluoromethyl)-3-pyridinyl]methanone (CID 146468983) is [2-[[3-(4-fluorophenyl)-5-methyltriazol-4-yl]methoxy]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]-[6-(trifluoromethyl)-3-pyridinyl]methanone.
What is the SMILES notation for [2-[[3-(4-fluorophenyl)-5-methyltriazol-4-yl]methoxy]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]-[6-(trifluoromethyl)-3-pyridinyl]methanone?
The canonical SMILES for [2-[[3-(4-fluorophenyl)-5-methyltriazol-4-yl]methoxy]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]-[6-(trifluoromethyl)-3-pyridinyl]methanone is Cc1nnn(-c2ccc(F)cc2)c1COc1ccc2c(n1)CCN(C(=O)c1ccc(C(F)(F)F)nc1)C2.
What is the InChIKey of [2-[[3-(4-fluorophenyl)-5-methyltriazol-4-yl]methoxy]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]-[6-(trifluoromethyl)-3-pyridinyl]methanone?
The InChIKey is NWEBPWVAXYWDGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20F4N6O2/c1-15-21(35(33-32-15)19-6-4-18(26)5-7-19)14-37-23-9-3-17-13-34(11-10-20(17)31-23)24(36)16-2-8-22(30-12-16)25(27,28)29/h2-9,12H,10-11,13-14H2,1H3.
What are the key properties of [2-[[3-(4-fluorophenyl)-5-methyltriazol-4-yl]methoxy]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]-[6-(trifluoromethyl)-3-pyridinyl]methanone?
[2-[[3-(4-fluorophenyl)-5-methyltriazol-4-yl]methoxy]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]-[6-(trifluoromethyl)-3-pyridinyl]methanone has a molecular weight of 512.47 g/mol, XLogP of 4.30, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[3-(4-fluorophenyl)-5-methyltriazol-4-yl]methoxy]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]-[6-(trifluoromethyl)-3-pyridinyl]methanone is sourced from PubChem (CID 146468983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).