[2-[[3-(4-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]methoxy]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]-piperidin-1-ylmethanone

C25H27FN4O3 — CID 146469004

IUPAC[2-[[3-(4-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]methoxy]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]-piperidin-1-ylmethanone
SMILESCc1onc(-c2ccc(F)cc2)c1COc1ccc2c(n1)CCN(C(=O)N1CCCCC1)C2
InChIInChI=1S/C25H27FN4O3/c1-17-21(24(28-33-17)18-5-8-20(26)9-6-18)16-32-23-10-7-19-15-30(14-11-22(19)27-23)25(31)29-12-3-2-4-13-29/h5-10H,2-4,11-16H2,1H3
InChIKeyVUEKKKDGNCPLAN-UHFFFAOYSA-N
MW450.51 g/mol
LogP4.73
Rot. Bonds4

About [2-[[3-(4-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]methoxy]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]-piperidin-1-ylmethanone

[2-[[3-(4-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]methoxy]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]-piperidin-1-ylmethanone (PubChem CID 146469004) has the molecular formula C25H27FN4O3 and a molecular weight of 450.51 g/mol. Its IUPAC name is [2-[[3-(4-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]methoxy]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]-piperidin-1-ylmethanone.

Molecular Properties

Compound Name[2-[[3-(4-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]methoxy]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]-piperidin-1-ylmethanone
PubChem CID146469004
Molecular FormulaC25H27FN4O3
Molecular Weight450.51 g/mol
Exact Mass450.21
IUPAC Name[2-[[3-(4-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]methoxy]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]-piperidin-1-ylmethanone
SMILESCc1onc(-c2ccc(F)cc2)c1COc1ccc2c(n1)CCN(C(=O)N1CCCCC1)C2
InChIInChI=1S/C25H27FN4O3/c1-17-21(24(28-33-17)18-5-8-20(26)9-6-18)16-32-23-10-7-19-15-30(14-11-22(19)27-23)25(31)29-12-3-2-4-13-29/h5-10H,2-4,11-16H2,1H3
InChIKeyVUEKKKDGNCPLAN-UHFFFAOYSA-N
XLogP4.73
TPSA71.70 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.51
LogP ≤ 54.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-[[3-(4-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]methoxy]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]-piperidin-1-ylmethanone?
The IUPAC name of [2-[[3-(4-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]methoxy]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]-piperidin-1-ylmethanone (CID 146469004) is [2-[[3-(4-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]methoxy]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]-piperidin-1-ylmethanone.
What is the SMILES notation for [2-[[3-(4-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]methoxy]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]-piperidin-1-ylmethanone?
The canonical SMILES for [2-[[3-(4-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]methoxy]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]-piperidin-1-ylmethanone is Cc1onc(-c2ccc(F)cc2)c1COc1ccc2c(n1)CCN(C(=O)N1CCCCC1)C2.
What is the InChIKey of [2-[[3-(4-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]methoxy]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]-piperidin-1-ylmethanone?
The InChIKey is VUEKKKDGNCPLAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27FN4O3/c1-17-21(24(28-33-17)18-5-8-20(26)9-6-18)16-32-23-10-7-19-15-30(14-11-22(19)27-23)25(31)29-12-3-2-4-13-29/h5-10H,2-4,11-16H2,1H3.
What are the key properties of [2-[[3-(4-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]methoxy]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]-piperidin-1-ylmethanone?
[2-[[3-(4-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]methoxy]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]-piperidin-1-ylmethanone has a molecular weight of 450.51 g/mol, XLogP of 4.73, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[3-(4-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]methoxy]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]-piperidin-1-ylmethanone is sourced from PubChem (CID 146469004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).