4-[(1S)-1-[7-(2-fluoro-4-methoxyanilino)-1,6-naphthyridin-2-yl]ethyl]-1-methylpiperidin-4-ol

C23H27FN4O2 — CID 166940511

IUPAC4-[(1S)-1-[7-(2-fluoro-4-methoxyanilino)-1,6-naphthyridin-2-yl]ethyl]-1-methylpiperidin-4-ol
SMILESCOc1ccc(Nc2cc3nc([C@H](C)C4(O)CCN(C)CC4)ccc3cn2)c(F)c1
InChIInChI=1S/C23H27FN4O2/c1-15(23(29)8-10-28(2)11-9-23)19-6-4-16-14-25-22(13-21(16)26-19)27-20-7-5-17(30-3)12-18(20)24/h4-7,12-15,29H,8-11H2,1-3H3,(H,25,27)/t15-/m0/s1
InChIKeyKQNFAUDJZBNPMY-HNNXBMFYSA-N
MW410.49 g/mol
LogP4.08
Rot. Bonds5

About 4-[(1S)-1-[7-(2-fluoro-4-methoxyanilino)-1,6-naphthyridin-2-yl]ethyl]-1-methylpiperidin-4-ol

4-[(1S)-1-[7-(2-fluoro-4-methoxyanilino)-1,6-naphthyridin-2-yl]ethyl]-1-methylpiperidin-4-ol (PubChem CID 166940511) has the molecular formula C23H27FN4O2 and a molecular weight of 410.49 g/mol. Its IUPAC name is 4-[(1S)-1-[7-(2-fluoro-4-methoxyanilino)-1,6-naphthyridin-2-yl]ethyl]-1-methylpiperidin-4-ol.

Molecular Properties

Compound Name4-[(1S)-1-[7-(2-fluoro-4-methoxyanilino)-1,6-naphthyridin-2-yl]ethyl]-1-methylpiperidin-4-ol
PubChem CID166940511
Molecular FormulaC23H27FN4O2
Molecular Weight410.49 g/mol
Exact Mass410.21
IUPAC Name4-[(1S)-1-[7-(2-fluoro-4-methoxyanilino)-1,6-naphthyridin-2-yl]ethyl]-1-methylpiperidin-4-ol
SMILESCOc1ccc(Nc2cc3nc([C@H](C)C4(O)CCN(C)CC4)ccc3cn2)c(F)c1
InChIInChI=1S/C23H27FN4O2/c1-15(23(29)8-10-28(2)11-9-23)19-6-4-16-14-25-22(13-21(16)26-19)27-20-7-5-17(30-3)12-18(20)24/h4-7,12-15,29H,8-11H2,1-3H3,(H,25,27)/t15-/m0/s1
InChIKeyKQNFAUDJZBNPMY-HNNXBMFYSA-N
XLogP4.08
TPSA70.51 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.49
LogP ≤ 54.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[(1S)-1-[7-(2-fluoro-4-methoxyanilino)-1,6-naphthyridin-2-yl]ethyl]-1-methylpiperidin-4-ol?
The IUPAC name of 4-[(1S)-1-[7-(2-fluoro-4-methoxyanilino)-1,6-naphthyridin-2-yl]ethyl]-1-methylpiperidin-4-ol (CID 166940511) is 4-[(1S)-1-[7-(2-fluoro-4-methoxyanilino)-1,6-naphthyridin-2-yl]ethyl]-1-methylpiperidin-4-ol.
What is the SMILES notation for 4-[(1S)-1-[7-(2-fluoro-4-methoxyanilino)-1,6-naphthyridin-2-yl]ethyl]-1-methylpiperidin-4-ol?
The canonical SMILES for 4-[(1S)-1-[7-(2-fluoro-4-methoxyanilino)-1,6-naphthyridin-2-yl]ethyl]-1-methylpiperidin-4-ol is COc1ccc(Nc2cc3nc([C@H](C)C4(O)CCN(C)CC4)ccc3cn2)c(F)c1.
What is the InChIKey of 4-[(1S)-1-[7-(2-fluoro-4-methoxyanilino)-1,6-naphthyridin-2-yl]ethyl]-1-methylpiperidin-4-ol?
The InChIKey is KQNFAUDJZBNPMY-HNNXBMFYSA-N. The full InChI is InChI=1S/C23H27FN4O2/c1-15(23(29)8-10-28(2)11-9-23)19-6-4-16-14-25-22(13-21(16)26-19)27-20-7-5-17(30-3)12-18(20)24/h4-7,12-15,29H,8-11H2,1-3H3,(H,25,27)/t15-/m0/s1.
What are the key properties of 4-[(1S)-1-[7-(2-fluoro-4-methoxyanilino)-1,6-naphthyridin-2-yl]ethyl]-1-methylpiperidin-4-ol?
4-[(1S)-1-[7-(2-fluoro-4-methoxyanilino)-1,6-naphthyridin-2-yl]ethyl]-1-methylpiperidin-4-ol has a molecular weight of 410.49 g/mol, XLogP of 4.08, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1S)-1-[7-(2-fluoro-4-methoxyanilino)-1,6-naphthyridin-2-yl]ethyl]-1-methylpiperidin-4-ol is sourced from PubChem (CID 166940511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).