CID 58171903

C23H24F2N5O — CID 58171903

IUPAC—
SMILESFC(F)Oc1ccc(-c2cnc(Nc3ccc(CCN4CC[CH]CC4)nc3)nc2)cc1
InChIInChI=1S/C23H24F2N5O/c24-22(25)31-21-8-4-17(5-9-21)18-14-27-23(28-15-18)29-20-7-6-19(26-16-20)10-13-30-11-2-1-3-12-30/h1,4-9,14-16,22H,2-3,10-13H2,(H,27,28,29)
InChIKeyFVAJFFLUFILUQU-UHFFFAOYSA-N
MW424.48 g/mol
LogP4.73
Rot. Bonds8

About CID 58171903

CID 58171903 (PubChem CID 58171903) has the molecular formula C23H24F2N5O and a molecular weight of 424.48 g/mol.

Molecular Properties

Compound NameCID 58171903
PubChem CID58171903
Molecular FormulaC23H24F2N5O
Molecular Weight424.48 g/mol
Exact Mass424.19
IUPAC Name—
SMILESFC(F)Oc1ccc(-c2cnc(Nc3ccc(CCN4CC[CH]CC4)nc3)nc2)cc1
InChIInChI=1S/C23H24F2N5O/c24-22(25)31-21-8-4-17(5-9-21)18-14-27-23(28-15-18)29-20-7-6-19(26-16-20)10-13-30-11-2-1-3-12-30/h1,4-9,14-16,22H,2-3,10-13H2,(H,27,28,29)
InChIKeyFVAJFFLUFILUQU-UHFFFAOYSA-N
XLogP4.73
TPSA63.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.48
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of CID 58171903?
The IUPAC name of CID 58171903 (CID 58171903) is not available.
What is the SMILES notation for CID 58171903?
The canonical SMILES for CID 58171903 is FC(F)Oc1ccc(-c2cnc(Nc3ccc(CCN4CC[CH]CC4)nc3)nc2)cc1.
What is the InChIKey of CID 58171903?
The InChIKey is FVAJFFLUFILUQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24F2N5O/c24-22(25)31-21-8-4-17(5-9-21)18-14-27-23(28-15-18)29-20-7-6-19(26-16-20)10-13-30-11-2-1-3-12-30/h1,4-9,14-16,22H,2-3,10-13H2,(H,27,28,29).
What are the key properties of CID 58171903?
CID 58171903 has a molecular weight of 424.48 g/mol, XLogP of 4.73, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for CID 58171903 is sourced from PubChem (CID 58171903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).