7-fluoro-5-[6-(3-hydroxypiperidin-4-yl)-1,5-naphthyridin-2-yl]-2-methylindazol-6-ol

C21H20FN5O2 — CID 168976923

IUPAC7-fluoro-5-[6-(3-hydroxypiperidin-4-yl)-1,5-naphthyridin-2-yl]-2-methylindazol-6-ol
SMILESCn1cc2cc(-c3ccc4nc(C5CCNCC5O)ccc4n3)c(O)c(F)c2n1
InChIInChI=1S/C21H20FN5O2/c1-27-10-11-8-13(21(29)19(22)20(11)26-27)15-3-5-16-17(25-15)4-2-14(24-16)12-6-7-23-9-18(12)28/h2-5,8,10,12,18,23,28-29H,6-7,9H2,1H3
InChIKeyUVSOAXUAPHUWCF-UHFFFAOYSA-N
MW393.42 g/mol
LogP2.47
Rot. Bonds2

About 7-fluoro-5-[6-(3-hydroxypiperidin-4-yl)-1,5-naphthyridin-2-yl]-2-methylindazol-6-ol

7-fluoro-5-[6-(3-hydroxypiperidin-4-yl)-1,5-naphthyridin-2-yl]-2-methylindazol-6-ol (PubChem CID 168976923) has the molecular formula C21H20FN5O2 and a molecular weight of 393.42 g/mol. Its IUPAC name is 7-fluoro-5-[6-(3-hydroxypiperidin-4-yl)-1,5-naphthyridin-2-yl]-2-methylindazol-6-ol.

Molecular Properties

Compound Name7-fluoro-5-[6-(3-hydroxypiperidin-4-yl)-1,5-naphthyridin-2-yl]-2-methylindazol-6-ol
PubChem CID168976923
Molecular FormulaC21H20FN5O2
Molecular Weight393.42 g/mol
Exact Mass393.16
IUPAC Name7-fluoro-5-[6-(3-hydroxypiperidin-4-yl)-1,5-naphthyridin-2-yl]-2-methylindazol-6-ol
SMILESCn1cc2cc(-c3ccc4nc(C5CCNCC5O)ccc4n3)c(O)c(F)c2n1
InChIInChI=1S/C21H20FN5O2/c1-27-10-11-8-13(21(29)19(22)20(11)26-27)15-3-5-16-17(25-15)4-2-14(24-16)12-6-7-23-9-18(12)28/h2-5,8,10,12,18,23,28-29H,6-7,9H2,1H3
InChIKeyUVSOAXUAPHUWCF-UHFFFAOYSA-N
XLogP2.47
TPSA96.09 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.42
LogP ≤ 52.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 7-fluoro-5-[6-(3-hydroxypiperidin-4-yl)-1,5-naphthyridin-2-yl]-2-methylindazol-6-ol?
The IUPAC name of 7-fluoro-5-[6-(3-hydroxypiperidin-4-yl)-1,5-naphthyridin-2-yl]-2-methylindazol-6-ol (CID 168976923) is 7-fluoro-5-[6-(3-hydroxypiperidin-4-yl)-1,5-naphthyridin-2-yl]-2-methylindazol-6-ol.
What is the SMILES notation for 7-fluoro-5-[6-(3-hydroxypiperidin-4-yl)-1,5-naphthyridin-2-yl]-2-methylindazol-6-ol?
The canonical SMILES for 7-fluoro-5-[6-(3-hydroxypiperidin-4-yl)-1,5-naphthyridin-2-yl]-2-methylindazol-6-ol is Cn1cc2cc(-c3ccc4nc(C5CCNCC5O)ccc4n3)c(O)c(F)c2n1.
What is the InChIKey of 7-fluoro-5-[6-(3-hydroxypiperidin-4-yl)-1,5-naphthyridin-2-yl]-2-methylindazol-6-ol?
The InChIKey is UVSOAXUAPHUWCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20FN5O2/c1-27-10-11-8-13(21(29)19(22)20(11)26-27)15-3-5-16-17(25-15)4-2-14(24-16)12-6-7-23-9-18(12)28/h2-5,8,10,12,18,23,28-29H,6-7,9H2,1H3.
What are the key properties of 7-fluoro-5-[6-(3-hydroxypiperidin-4-yl)-1,5-naphthyridin-2-yl]-2-methylindazol-6-ol?
7-fluoro-5-[6-(3-hydroxypiperidin-4-yl)-1,5-naphthyridin-2-yl]-2-methylindazol-6-ol has a molecular weight of 393.42 g/mol, XLogP of 2.47, 2 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-5-[6-(3-hydroxypiperidin-4-yl)-1,5-naphthyridin-2-yl]-2-methylindazol-6-ol is sourced from PubChem (CID 168976923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).