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

C24H27FN4O2 — CID 146344657

IUPAC7-[2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-5,5-dimethyl-6H-1,7-naphthyridin-8-one
SMILESCC1(C)CN(CCN2CCC(c3noc4cc(F)ccc34)CC2)C(=O)c2ncccc21
InChIInChI=1S/C24H27FN4O2/c1-24(2)15-29(23(30)22-19(24)4-3-9-26-22)13-12-28-10-7-16(8-11-28)21-18-6-5-17(25)14-20(18)31-27-21/h3-6,9,14,16H,7-8,10-13,15H2,1-2H3
InChIKeyHUTSIWXIIUGDBK-UHFFFAOYSA-N
MW422.50 g/mol
LogP3.97
Rot. Bonds4

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

7-[2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-5,5-dimethyl-6H-1,7-naphthyridin-8-one (PubChem CID 146344657) has the molecular formula C24H27FN4O2 and a molecular weight of 422.50 g/mol. Its IUPAC name is 7-[2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-5,5-dimethyl-6H-1,7-naphthyridin-8-one.

Molecular Properties

Compound Name7-[2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-5,5-dimethyl-6H-1,7-naphthyridin-8-one
PubChem CID146344657
Molecular FormulaC24H27FN4O2
Molecular Weight422.50 g/mol
Exact Mass422.21
IUPAC Name7-[2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-5,5-dimethyl-6H-1,7-naphthyridin-8-one
SMILESCC1(C)CN(CCN2CCC(c3noc4cc(F)ccc34)CC2)C(=O)c2ncccc21
InChIInChI=1S/C24H27FN4O2/c1-24(2)15-29(23(30)22-19(24)4-3-9-26-22)13-12-28-10-7-16(8-11-28)21-18-6-5-17(25)14-20(18)31-27-21/h3-6,9,14,16H,7-8,10-13,15H2,1-2H3
InChIKeyHUTSIWXIIUGDBK-UHFFFAOYSA-N
XLogP3.97
TPSA62.47 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.50
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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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]-5,5-dimethyl-6H-1,7-naphthyridin-8-one?
The IUPAC name of 7-[2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-5,5-dimethyl-6H-1,7-naphthyridin-8-one (CID 146344657) is 7-[2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-5,5-dimethyl-6H-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]-5,5-dimethyl-6H-1,7-naphthyridin-8-one?
The canonical SMILES for 7-[2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-5,5-dimethyl-6H-1,7-naphthyridin-8-one is CC1(C)CN(CCN2CCC(c3noc4cc(F)ccc34)CC2)C(=O)c2ncccc21.
What is the InChIKey of 7-[2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-5,5-dimethyl-6H-1,7-naphthyridin-8-one?
The InChIKey is HUTSIWXIIUGDBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27FN4O2/c1-24(2)15-29(23(30)22-19(24)4-3-9-26-22)13-12-28-10-7-16(8-11-28)21-18-6-5-17(25)14-20(18)31-27-21/h3-6,9,14,16H,7-8,10-13,15H2,1-2H3.
What are the key properties of 7-[2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-5,5-dimethyl-6H-1,7-naphthyridin-8-one?
7-[2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-5,5-dimethyl-6H-1,7-naphthyridin-8-one has a molecular weight of 422.50 g/mol, XLogP of 3.97, 4 rotatable bonds, 0 hydrogen bond donors, and 5 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]-5,5-dimethyl-6H-1,7-naphthyridin-8-one is sourced from PubChem (CID 146344657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).