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

C23H25FN4O2 — CID 146344048

IUPAC7-[1-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]propan-2-yl]-5,6-dihydro-1,7-naphthyridin-8-one
SMILESCC(CN1CCC(c2noc3cc(F)ccc23)CC1)N1CCc2cccnc2C1=O
InChIInChI=1S/C23H25FN4O2/c1-15(28-12-8-16-3-2-9-25-22(16)23(28)29)14-27-10-6-17(7-11-27)21-19-5-4-18(24)13-20(19)30-26-21/h2-5,9,13,15,17H,6-8,10-12,14H2,1H3
InChIKeyRAWSNQKTFLIAHR-UHFFFAOYSA-N
MW408.48 g/mol
LogP3.63
Rot. Bonds4

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

7-[1-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]propan-2-yl]-5,6-dihydro-1,7-naphthyridin-8-one (PubChem CID 146344048) has the molecular formula C23H25FN4O2 and a molecular weight of 408.48 g/mol. Its IUPAC name is 7-[1-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]propan-2-yl]-5,6-dihydro-1,7-naphthyridin-8-one.

Molecular Properties

Compound Name7-[1-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]propan-2-yl]-5,6-dihydro-1,7-naphthyridin-8-one
PubChem CID146344048
Molecular FormulaC23H25FN4O2
Molecular Weight408.48 g/mol
Exact Mass408.20
IUPAC Name7-[1-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]propan-2-yl]-5,6-dihydro-1,7-naphthyridin-8-one
SMILESCC(CN1CCC(c2noc3cc(F)ccc23)CC1)N1CCc2cccnc2C1=O
InChIInChI=1S/C23H25FN4O2/c1-15(28-12-8-16-3-2-9-25-22(16)23(28)29)14-27-10-6-17(7-11-27)21-19-5-4-18(24)13-20(19)30-26-21/h2-5,9,13,15,17H,6-8,10-12,14H2,1H3
InChIKeyRAWSNQKTFLIAHR-UHFFFAOYSA-N
XLogP3.63
TPSA62.47 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.48
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-[1-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]propan-2-yl]-5,6-dihydro-1,7-naphthyridin-8-one?
The IUPAC name of 7-[1-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]propan-2-yl]-5,6-dihydro-1,7-naphthyridin-8-one (CID 146344048) is 7-[1-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]propan-2-yl]-5,6-dihydro-1,7-naphthyridin-8-one.
What is the SMILES notation for 7-[1-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]propan-2-yl]-5,6-dihydro-1,7-naphthyridin-8-one?
The canonical SMILES for 7-[1-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]propan-2-yl]-5,6-dihydro-1,7-naphthyridin-8-one is CC(CN1CCC(c2noc3cc(F)ccc23)CC1)N1CCc2cccnc2C1=O.
What is the InChIKey of 7-[1-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]propan-2-yl]-5,6-dihydro-1,7-naphthyridin-8-one?
The InChIKey is RAWSNQKTFLIAHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25FN4O2/c1-15(28-12-8-16-3-2-9-25-22(16)23(28)29)14-27-10-6-17(7-11-27)21-19-5-4-18(24)13-20(19)30-26-21/h2-5,9,13,15,17H,6-8,10-12,14H2,1H3.
What are the key properties of 7-[1-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]propan-2-yl]-5,6-dihydro-1,7-naphthyridin-8-one?
7-[1-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]propan-2-yl]-5,6-dihydro-1,7-naphthyridin-8-one has a molecular weight of 408.48 g/mol, XLogP of 3.63, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[1-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]propan-2-yl]-5,6-dihydro-1,7-naphthyridin-8-one is sourced from PubChem (CID 146344048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).