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

C22H22FN5O3 — CID 175522387

IUPAC[2-[[3-(4-fluorophenyl)-5-methyltriazol-4-yl]methoxy]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]-(oxetan-2-yl)methanone
SMILESCc1nnn(-c2ccc(F)cc2)c1COc1ccc2c(n1)CCN(C(=O)C1CCO1)C2
InChIInChI=1S/C22H22FN5O3/c1-14-19(28(26-25-14)17-5-3-16(23)4-6-17)13-31-21-7-2-15-12-27(10-8-18(15)24-21)22(29)20-9-11-30-20/h2-7,20H,8-13H2,1H3
InChIKeyYZDWYOMTROLWQH-UHFFFAOYSA-N
MW423.45 g/mol
LogP2.36
Rot. Bonds5

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

[2-[[3-(4-fluorophenyl)-5-methyltriazol-4-yl]methoxy]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]-(oxetan-2-yl)methanone (PubChem CID 175522387) has the molecular formula C22H22FN5O3 and a molecular weight of 423.45 g/mol. Its IUPAC name is [2-[[3-(4-fluorophenyl)-5-methyltriazol-4-yl]methoxy]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]-(oxetan-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]-(oxetan-2-yl)methanone
PubChem CID175522387
Molecular FormulaC22H22FN5O3
Molecular Weight423.45 g/mol
Exact Mass423.17
IUPAC Name[2-[[3-(4-fluorophenyl)-5-methyltriazol-4-yl]methoxy]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]-(oxetan-2-yl)methanone
SMILESCc1nnn(-c2ccc(F)cc2)c1COc1ccc2c(n1)CCN(C(=O)C1CCO1)C2
InChIInChI=1S/C22H22FN5O3/c1-14-19(28(26-25-14)17-5-3-16(23)4-6-17)13-31-21-7-2-15-12-27(10-8-18(15)24-21)22(29)20-9-11-30-20/h2-7,20H,8-13H2,1H3
InChIKeyYZDWYOMTROLWQH-UHFFFAOYSA-N
XLogP2.36
TPSA82.37 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.45
LogP ≤ 52.36
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]-(oxetan-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]-(oxetan-2-yl)methanone (CID 175522387) is [2-[[3-(4-fluorophenyl)-5-methyltriazol-4-yl]methoxy]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]-(oxetan-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]-(oxetan-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]-(oxetan-2-yl)methanone is Cc1nnn(-c2ccc(F)cc2)c1COc1ccc2c(n1)CCN(C(=O)C1CCO1)C2.
What is the InChIKey of [2-[[3-(4-fluorophenyl)-5-methyltriazol-4-yl]methoxy]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]-(oxetan-2-yl)methanone?
The InChIKey is YZDWYOMTROLWQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22FN5O3/c1-14-19(28(26-25-14)17-5-3-16(23)4-6-17)13-31-21-7-2-15-12-27(10-8-18(15)24-21)22(29)20-9-11-30-20/h2-7,20H,8-13H2,1H3.
What are the key properties of [2-[[3-(4-fluorophenyl)-5-methyltriazol-4-yl]methoxy]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]-(oxetan-2-yl)methanone?
[2-[[3-(4-fluorophenyl)-5-methyltriazol-4-yl]methoxy]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]-(oxetan-2-yl)methanone has a molecular weight of 423.45 g/mol, XLogP of 2.36, 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]-(oxetan-2-yl)methanone is sourced from PubChem (CID 175522387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).