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

C22H23FN6O3 — CID 175123914

IUPAC2-[[3-(4-fluorophenyl)-5-methyltriazol-4-yl]methoxy]-N-(oxetan-3-yl)-7,8-dihydro-5H-1,6-naphthyridine-6-carboxamide
SMILESCc1nnn(-c2ccc(F)cc2)c1COc1ccc2c(n1)CCN(C(=O)NC1COC1)C2
InChIInChI=1S/C22H23FN6O3/c1-14-20(29(27-26-14)18-5-3-16(23)4-6-18)13-32-21-7-2-15-10-28(9-8-19(15)25-21)22(30)24-17-11-31-12-17/h2-7,17H,8-13H2,1H3,(H,24,30)
InChIKeyRKUHIXCTOSMKJM-UHFFFAOYSA-N
MW438.46 g/mol
LogP2.16
Rot. Bonds5

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

2-[[3-(4-fluorophenyl)-5-methyltriazol-4-yl]methoxy]-N-(oxetan-3-yl)-7,8-dihydro-5H-1,6-naphthyridine-6-carboxamide (PubChem CID 175123914) has the molecular formula C22H23FN6O3 and a molecular weight of 438.46 g/mol. Its IUPAC name is 2-[[3-(4-fluorophenyl)-5-methyltriazol-4-yl]methoxy]-N-(oxetan-3-yl)-7,8-dihydro-5H-1,6-naphthyridine-6-carboxamide.

Molecular Properties

Compound Name2-[[3-(4-fluorophenyl)-5-methyltriazol-4-yl]methoxy]-N-(oxetan-3-yl)-7,8-dihydro-5H-1,6-naphthyridine-6-carboxamide
PubChem CID175123914
Molecular FormulaC22H23FN6O3
Molecular Weight438.46 g/mol
Exact Mass438.18
IUPAC Name2-[[3-(4-fluorophenyl)-5-methyltriazol-4-yl]methoxy]-N-(oxetan-3-yl)-7,8-dihydro-5H-1,6-naphthyridine-6-carboxamide
SMILESCc1nnn(-c2ccc(F)cc2)c1COc1ccc2c(n1)CCN(C(=O)NC1COC1)C2
InChIInChI=1S/C22H23FN6O3/c1-14-20(29(27-26-14)18-5-3-16(23)4-6-18)13-32-21-7-2-15-10-28(9-8-19(15)25-21)22(30)24-17-11-31-12-17/h2-7,17H,8-13H2,1H3,(H,24,30)
InChIKeyRKUHIXCTOSMKJM-UHFFFAOYSA-N
XLogP2.16
TPSA94.40 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.46
LogP ≤ 52.16
H-Bond Donors ≤ 51
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]-N-(oxetan-3-yl)-7,8-dihydro-5H-1,6-naphthyridine-6-carboxamide?
The IUPAC name of 2-[[3-(4-fluorophenyl)-5-methyltriazol-4-yl]methoxy]-N-(oxetan-3-yl)-7,8-dihydro-5H-1,6-naphthyridine-6-carboxamide (CID 175123914) is 2-[[3-(4-fluorophenyl)-5-methyltriazol-4-yl]methoxy]-N-(oxetan-3-yl)-7,8-dihydro-5H-1,6-naphthyridine-6-carboxamide.
What is the SMILES notation for 2-[[3-(4-fluorophenyl)-5-methyltriazol-4-yl]methoxy]-N-(oxetan-3-yl)-7,8-dihydro-5H-1,6-naphthyridine-6-carboxamide?
The canonical SMILES for 2-[[3-(4-fluorophenyl)-5-methyltriazol-4-yl]methoxy]-N-(oxetan-3-yl)-7,8-dihydro-5H-1,6-naphthyridine-6-carboxamide is Cc1nnn(-c2ccc(F)cc2)c1COc1ccc2c(n1)CCN(C(=O)NC1COC1)C2.
What is the InChIKey of 2-[[3-(4-fluorophenyl)-5-methyltriazol-4-yl]methoxy]-N-(oxetan-3-yl)-7,8-dihydro-5H-1,6-naphthyridine-6-carboxamide?
The InChIKey is RKUHIXCTOSMKJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23FN6O3/c1-14-20(29(27-26-14)18-5-3-16(23)4-6-18)13-32-21-7-2-15-10-28(9-8-19(15)25-21)22(30)24-17-11-31-12-17/h2-7,17H,8-13H2,1H3,(H,24,30).
What are the key properties of 2-[[3-(4-fluorophenyl)-5-methyltriazol-4-yl]methoxy]-N-(oxetan-3-yl)-7,8-dihydro-5H-1,6-naphthyridine-6-carboxamide?
2-[[3-(4-fluorophenyl)-5-methyltriazol-4-yl]methoxy]-N-(oxetan-3-yl)-7,8-dihydro-5H-1,6-naphthyridine-6-carboxamide has a molecular weight of 438.46 g/mol, XLogP of 2.16, 5 rotatable bonds, 1 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]-N-(oxetan-3-yl)-7,8-dihydro-5H-1,6-naphthyridine-6-carboxamide is sourced from PubChem (CID 175123914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).