4-fluoro-2-methyl-6-(6-pyrrolidin-1-yl-1,5-naphthyridin-2-yl)-1,3-benzoxazol-5-ol

C20H17FN4O2 — CID 162433675

IUPAC4-fluoro-2-methyl-6-(6-pyrrolidin-1-yl-1,5-naphthyridin-2-yl)-1,3-benzoxazol-5-ol
SMILESCc1nc2c(F)c(O)c(-c3ccc4nc(N5CCCC5)ccc4n3)cc2o1
InChIInChI=1S/C20H17FN4O2/c1-11-22-19-16(27-11)10-12(20(26)18(19)21)13-4-5-15-14(23-13)6-7-17(24-15)25-8-2-3-9-25/h4-7,10,26H,2-3,8-9H2,1H3
InChIKeyRJWSBBKASNGODV-UHFFFAOYSA-N
MW364.38 g/mol
LogP4.19
Rot. Bonds2

About 4-fluoro-2-methyl-6-(6-pyrrolidin-1-yl-1,5-naphthyridin-2-yl)-1,3-benzoxazol-5-ol

4-fluoro-2-methyl-6-(6-pyrrolidin-1-yl-1,5-naphthyridin-2-yl)-1,3-benzoxazol-5-ol (PubChem CID 162433675) has the molecular formula C20H17FN4O2 and a molecular weight of 364.38 g/mol. Its IUPAC name is 4-fluoro-2-methyl-6-(6-pyrrolidin-1-yl-1,5-naphthyridin-2-yl)-1,3-benzoxazol-5-ol.

Molecular Properties

Compound Name4-fluoro-2-methyl-6-(6-pyrrolidin-1-yl-1,5-naphthyridin-2-yl)-1,3-benzoxazol-5-ol
PubChem CID162433675
Molecular FormulaC20H17FN4O2
Molecular Weight364.38 g/mol
Exact Mass364.13
IUPAC Name4-fluoro-2-methyl-6-(6-pyrrolidin-1-yl-1,5-naphthyridin-2-yl)-1,3-benzoxazol-5-ol
SMILESCc1nc2c(F)c(O)c(-c3ccc4nc(N5CCCC5)ccc4n3)cc2o1
InChIInChI=1S/C20H17FN4O2/c1-11-22-19-16(27-11)10-12(20(26)18(19)21)13-4-5-15-14(23-13)6-7-17(24-15)25-8-2-3-9-25/h4-7,10,26H,2-3,8-9H2,1H3
InChIKeyRJWSBBKASNGODV-UHFFFAOYSA-N
XLogP4.19
TPSA75.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.38
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-fluoro-2-methyl-6-(6-pyrrolidin-1-yl-1,5-naphthyridin-2-yl)-1,3-benzoxazol-5-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-methyl-6-(6-pyrrolidin-1-yl-1,5-naphthyridin-2-yl)-1,3-benzoxazol-5-ol?
The IUPAC name of 4-fluoro-2-methyl-6-(6-pyrrolidin-1-yl-1,5-naphthyridin-2-yl)-1,3-benzoxazol-5-ol (CID 162433675) is 4-fluoro-2-methyl-6-(6-pyrrolidin-1-yl-1,5-naphthyridin-2-yl)-1,3-benzoxazol-5-ol.
What is the SMILES notation for 4-fluoro-2-methyl-6-(6-pyrrolidin-1-yl-1,5-naphthyridin-2-yl)-1,3-benzoxazol-5-ol?
The canonical SMILES for 4-fluoro-2-methyl-6-(6-pyrrolidin-1-yl-1,5-naphthyridin-2-yl)-1,3-benzoxazol-5-ol is Cc1nc2c(F)c(O)c(-c3ccc4nc(N5CCCC5)ccc4n3)cc2o1.
What is the InChIKey of 4-fluoro-2-methyl-6-(6-pyrrolidin-1-yl-1,5-naphthyridin-2-yl)-1,3-benzoxazol-5-ol?
The InChIKey is RJWSBBKASNGODV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17FN4O2/c1-11-22-19-16(27-11)10-12(20(26)18(19)21)13-4-5-15-14(23-13)6-7-17(24-15)25-8-2-3-9-25/h4-7,10,26H,2-3,8-9H2,1H3.
What are the key properties of 4-fluoro-2-methyl-6-(6-pyrrolidin-1-yl-1,5-naphthyridin-2-yl)-1,3-benzoxazol-5-ol?
4-fluoro-2-methyl-6-(6-pyrrolidin-1-yl-1,5-naphthyridin-2-yl)-1,3-benzoxazol-5-ol has a molecular weight of 364.38 g/mol, XLogP of 4.19, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2-methyl-6-(6-pyrrolidin-1-yl-1,5-naphthyridin-2-yl)-1,3-benzoxazol-5-ol is sourced from PubChem (CID 162433675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).