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

C22H21FN4O2 — CID 146641328

IUPAC7-[2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-1,7-naphthyridin-8-one
SMILESO=c1c2ncccc2ccn1CCN1CCC(c2noc3cc(F)ccc23)CC1
InChIInChI=1S/C22H21FN4O2/c23-17-3-4-18-19(14-17)29-25-20(18)16-5-9-26(10-6-16)12-13-27-11-7-15-2-1-8-24-21(15)22(27)28/h1-4,7-8,11,14,16H,5-6,9-10,12-13H2
InChIKeyMZJROZVDHHHYRD-UHFFFAOYSA-N
MW392.43 g/mol
LogP3.56
Rot. Bonds4

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

7-[2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-1,7-naphthyridin-8-one (PubChem CID 146641328) has the molecular formula C22H21FN4O2 and a molecular weight of 392.43 g/mol. Its IUPAC name is 7-[2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-1,7-naphthyridin-8-one.

Molecular Properties

Compound Name7-[2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-1,7-naphthyridin-8-one
PubChem CID146641328
Molecular FormulaC22H21FN4O2
Molecular Weight392.43 g/mol
Exact Mass392.16
IUPAC Name7-[2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-1,7-naphthyridin-8-one
SMILESO=c1c2ncccc2ccn1CCN1CCC(c2noc3cc(F)ccc23)CC1
InChIInChI=1S/C22H21FN4O2/c23-17-3-4-18-19(14-17)29-25-20(18)16-5-9-26(10-6-16)12-13-27-11-7-15-2-1-8-24-21(15)22(27)28/h1-4,7-8,11,14,16H,5-6,9-10,12-13H2
InChIKeyMZJROZVDHHHYRD-UHFFFAOYSA-N
XLogP3.56
TPSA64.16 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.43
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-[2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-1,7-naphthyridin-8-one?
The IUPAC name of 7-[2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-1,7-naphthyridin-8-one (CID 146641328) is 7-[2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-1,7-naphthyridin-8-one.
What is the SMILES notation for 7-[2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-1,7-naphthyridin-8-one?
The canonical SMILES for 7-[2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-1,7-naphthyridin-8-one is O=c1c2ncccc2ccn1CCN1CCC(c2noc3cc(F)ccc23)CC1.
What is the InChIKey of 7-[2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-1,7-naphthyridin-8-one?
The InChIKey is MZJROZVDHHHYRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21FN4O2/c23-17-3-4-18-19(14-17)29-25-20(18)16-5-9-26(10-6-16)12-13-27-11-7-15-2-1-8-24-21(15)22(27)28/h1-4,7-8,11,14,16H,5-6,9-10,12-13H2.
What are the key properties of 7-[2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-1,7-naphthyridin-8-one?
7-[2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-1,7-naphthyridin-8-one has a molecular weight of 392.43 g/mol, XLogP of 3.56, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-1,7-naphthyridin-8-one is sourced from PubChem (CID 146641328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).