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

C23H24FN4NaO2 — CID 168977119

IUPACsodium;4-fluoro-2-methyl-6-(6-pyrrolidin-1-yl-1,5-naphthyridin-2-yl)-1,3-benzoxazol-5-ol;propane
SMILESC[CH-]C.Cc1nc2c(F)c(O)c(-c3ccc4nc(N5CCCC5)ccc4n3)cc2o1.[Na+]
InChIInChI=1S/C20H17FN4O2.C3H7.Na/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;1-3-2;/h4-7,10,26H,2-3,8-9H2,1H3;3H,1-2H3;/q;-1;+1
InChIKeyWNHQAWNPCJOMJS-UHFFFAOYSA-N
MW430.46 g/mol
LogP2.43
Rot. Bonds2

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

sodium;4-fluoro-2-methyl-6-(6-pyrrolidin-1-yl-1,5-naphthyridin-2-yl)-1,3-benzoxazol-5-ol;propane (PubChem CID 168977119) has the molecular formula C23H24FN4NaO2 and a molecular weight of 430.46 g/mol. Its IUPAC name is sodium;4-fluoro-2-methyl-6-(6-pyrrolidin-1-yl-1,5-naphthyridin-2-yl)-1,3-benzoxazol-5-ol;propane.

Molecular Properties

Compound Namesodium;4-fluoro-2-methyl-6-(6-pyrrolidin-1-yl-1,5-naphthyridin-2-yl)-1,3-benzoxazol-5-ol;propane
PubChem CID168977119
Molecular FormulaC23H24FN4NaO2
Molecular Weight430.46 g/mol
Exact Mass430.18
IUPAC Namesodium;4-fluoro-2-methyl-6-(6-pyrrolidin-1-yl-1,5-naphthyridin-2-yl)-1,3-benzoxazol-5-ol;propane
SMILESC[CH-]C.Cc1nc2c(F)c(O)c(-c3ccc4nc(N5CCCC5)ccc4n3)cc2o1.[Na+]
InChIInChI=1S/C20H17FN4O2.C3H7.Na/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;1-3-2;/h4-7,10,26H,2-3,8-9H2,1H3;3H,1-2H3;/q;-1;+1
InChIKeyWNHQAWNPCJOMJS-UHFFFAOYSA-N
XLogP2.43
TPSA75.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.46
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of sodium;4-fluoro-2-methyl-6-(6-pyrrolidin-1-yl-1,5-naphthyridin-2-yl)-1,3-benzoxazol-5-ol;propane?
The IUPAC name of sodium;4-fluoro-2-methyl-6-(6-pyrrolidin-1-yl-1,5-naphthyridin-2-yl)-1,3-benzoxazol-5-ol;propane (CID 168977119) is sodium;4-fluoro-2-methyl-6-(6-pyrrolidin-1-yl-1,5-naphthyridin-2-yl)-1,3-benzoxazol-5-ol;propane.
What is the SMILES notation for sodium;4-fluoro-2-methyl-6-(6-pyrrolidin-1-yl-1,5-naphthyridin-2-yl)-1,3-benzoxazol-5-ol;propane?
The canonical SMILES for sodium;4-fluoro-2-methyl-6-(6-pyrrolidin-1-yl-1,5-naphthyridin-2-yl)-1,3-benzoxazol-5-ol;propane is C[CH-]C.Cc1nc2c(F)c(O)c(-c3ccc4nc(N5CCCC5)ccc4n3)cc2o1.[Na+].
What is the InChIKey of sodium;4-fluoro-2-methyl-6-(6-pyrrolidin-1-yl-1,5-naphthyridin-2-yl)-1,3-benzoxazol-5-ol;propane?
The InChIKey is WNHQAWNPCJOMJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17FN4O2.C3H7.Na/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;1-3-2;/h4-7,10,26H,2-3,8-9H2,1H3;3H,1-2H3;/q;-1;+1.
What are the key properties of sodium;4-fluoro-2-methyl-6-(6-pyrrolidin-1-yl-1,5-naphthyridin-2-yl)-1,3-benzoxazol-5-ol;propane?
sodium;4-fluoro-2-methyl-6-(6-pyrrolidin-1-yl-1,5-naphthyridin-2-yl)-1,3-benzoxazol-5-ol;propane has a molecular weight of 430.46 g/mol, XLogP of 2.43, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;4-fluoro-2-methyl-6-(6-pyrrolidin-1-yl-1,5-naphthyridin-2-yl)-1,3-benzoxazol-5-ol;propane is sourced from PubChem (CID 168977119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).