7-[2-[4-(1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-2-fluoro-5,6-dihydro-1,7-naphthyridin-8-one

C22H23FN4O2 — CID 146343620

IUPAC7-[2-[4-(1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-2-fluoro-5,6-dihydro-1,7-naphthyridin-8-one
SMILESO=C1c2nc(F)ccc2CCN1CCN1CCC(c2noc3ccccc23)CC1
InChIInChI=1S/C22H23FN4O2/c23-19-6-5-15-9-12-27(22(28)21(15)24-19)14-13-26-10-7-16(8-11-26)20-17-3-1-2-4-18(17)29-25-20/h1-6,16H,7-14H2
InChIKeyNKTWRBGCUILKQQ-UHFFFAOYSA-N
MW394.45 g/mol
LogP3.24
Rot. Bonds4

About 7-[2-[4-(1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-2-fluoro-5,6-dihydro-1,7-naphthyridin-8-one

7-[2-[4-(1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-2-fluoro-5,6-dihydro-1,7-naphthyridin-8-one (PubChem CID 146343620) has the molecular formula C22H23FN4O2 and a molecular weight of 394.45 g/mol. Its IUPAC name is 7-[2-[4-(1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-2-fluoro-5,6-dihydro-1,7-naphthyridin-8-one.

Molecular Properties

Compound Name7-[2-[4-(1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-2-fluoro-5,6-dihydro-1,7-naphthyridin-8-one
PubChem CID146343620
Molecular FormulaC22H23FN4O2
Molecular Weight394.45 g/mol
Exact Mass394.18
IUPAC Name7-[2-[4-(1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-2-fluoro-5,6-dihydro-1,7-naphthyridin-8-one
SMILESO=C1c2nc(F)ccc2CCN1CCN1CCC(c2noc3ccccc23)CC1
InChIInChI=1S/C22H23FN4O2/c23-19-6-5-15-9-12-27(22(28)21(15)24-19)14-13-26-10-7-16(8-11-26)20-17-3-1-2-4-18(17)29-25-20/h1-6,16H,7-14H2
InChIKeyNKTWRBGCUILKQQ-UHFFFAOYSA-N
XLogP3.24
TPSA62.47 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.45
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-[2-[4-(1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-2-fluoro-5,6-dihydro-1,7-naphthyridin-8-one?
The IUPAC name of 7-[2-[4-(1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-2-fluoro-5,6-dihydro-1,7-naphthyridin-8-one (CID 146343620) is 7-[2-[4-(1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-2-fluoro-5,6-dihydro-1,7-naphthyridin-8-one.
What is the SMILES notation for 7-[2-[4-(1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-2-fluoro-5,6-dihydro-1,7-naphthyridin-8-one?
The canonical SMILES for 7-[2-[4-(1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-2-fluoro-5,6-dihydro-1,7-naphthyridin-8-one is O=C1c2nc(F)ccc2CCN1CCN1CCC(c2noc3ccccc23)CC1.
What is the InChIKey of 7-[2-[4-(1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-2-fluoro-5,6-dihydro-1,7-naphthyridin-8-one?
The InChIKey is NKTWRBGCUILKQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23FN4O2/c23-19-6-5-15-9-12-27(22(28)21(15)24-19)14-13-26-10-7-16(8-11-26)20-17-3-1-2-4-18(17)29-25-20/h1-6,16H,7-14H2.
What are the key properties of 7-[2-[4-(1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-2-fluoro-5,6-dihydro-1,7-naphthyridin-8-one?
7-[2-[4-(1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-2-fluoro-5,6-dihydro-1,7-naphthyridin-8-one has a molecular weight of 394.45 g/mol, XLogP of 3.24, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[2-[4-(1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-2-fluoro-5,6-dihydro-1,7-naphthyridin-8-one is sourced from PubChem (CID 146343620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).