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

C23H24FN5O3 — CID 146469031

IUPAC[2-[[3-(4-fluorophenyl)-5-methyltriazol-4-yl]methoxy]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]-(oxolan-2-yl)methanone
SMILESCc1nnn(-c2ccc(F)cc2)c1COc1ccc2c(n1)CCN(C(=O)C1CCCO1)C2
InChIInChI=1S/C23H24FN5O3/c1-15-20(29(27-26-15)18-7-5-17(24)6-8-18)14-32-22-9-4-16-13-28(11-10-19(16)25-22)23(30)21-3-2-12-31-21/h4-9,21H,2-3,10-14H2,1H3
InChIKeyJQPBMFRJWHTYAJ-UHFFFAOYSA-N
MW437.48 g/mol
LogP2.75
Rot. Bonds5

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

[2-[[3-(4-fluorophenyl)-5-methyltriazol-4-yl]methoxy]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]-(oxolan-2-yl)methanone (PubChem CID 146469031) has the molecular formula C23H24FN5O3 and a molecular weight of 437.48 g/mol. Its IUPAC name is [2-[[3-(4-fluorophenyl)-5-methyltriazol-4-yl]methoxy]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]-(oxolan-2-yl)methanone.

Molecular Properties

Compound Name[2-[[3-(4-fluorophenyl)-5-methyltriazol-4-yl]methoxy]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]-(oxolan-2-yl)methanone
PubChem CID146469031
Molecular FormulaC23H24FN5O3
Molecular Weight437.48 g/mol
Exact Mass437.19
IUPAC Name[2-[[3-(4-fluorophenyl)-5-methyltriazol-4-yl]methoxy]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]-(oxolan-2-yl)methanone
SMILESCc1nnn(-c2ccc(F)cc2)c1COc1ccc2c(n1)CCN(C(=O)C1CCCO1)C2
InChIInChI=1S/C23H24FN5O3/c1-15-20(29(27-26-15)18-7-5-17(24)6-8-18)14-32-22-9-4-16-13-28(11-10-19(16)25-22)23(30)21-3-2-12-31-21/h4-9,21H,2-3,10-14H2,1H3
InChIKeyJQPBMFRJWHTYAJ-UHFFFAOYSA-N
XLogP2.75
TPSA82.37 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.48
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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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]-(oxolan-2-yl)methanone?
The IUPAC name of [2-[[3-(4-fluorophenyl)-5-methyltriazol-4-yl]methoxy]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]-(oxolan-2-yl)methanone (CID 146469031) is [2-[[3-(4-fluorophenyl)-5-methyltriazol-4-yl]methoxy]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]-(oxolan-2-yl)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]-(oxolan-2-yl)methanone?
The canonical SMILES for [2-[[3-(4-fluorophenyl)-5-methyltriazol-4-yl]methoxy]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]-(oxolan-2-yl)methanone is Cc1nnn(-c2ccc(F)cc2)c1COc1ccc2c(n1)CCN(C(=O)C1CCCO1)C2.
What is the InChIKey of [2-[[3-(4-fluorophenyl)-5-methyltriazol-4-yl]methoxy]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]-(oxolan-2-yl)methanone?
The InChIKey is JQPBMFRJWHTYAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24FN5O3/c1-15-20(29(27-26-15)18-7-5-17(24)6-8-18)14-32-22-9-4-16-13-28(11-10-19(16)25-22)23(30)21-3-2-12-31-21/h4-9,21H,2-3,10-14H2,1H3.
What are the key properties of [2-[[3-(4-fluorophenyl)-5-methyltriazol-4-yl]methoxy]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]-(oxolan-2-yl)methanone?
[2-[[3-(4-fluorophenyl)-5-methyltriazol-4-yl]methoxy]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]-(oxolan-2-yl)methanone has a molecular weight of 437.48 g/mol, XLogP of 2.75, 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]-(oxolan-2-yl)methanone is sourced from PubChem (CID 146469031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).