CID 58424418

C23H24FN3O4 — CID 58424418

IUPAC—
SMILESCOc1cc(F)cc(-c2ccc3c(c2)[C@]2(C[C@@]4(CCCOC4)O3)N=C(N)N(C)C2=O)c1
InChIInChI=1S/C23H24FN3O4/c1-27-20(28)23(26-21(27)25)12-22(6-3-7-30-13-22)31-19-5-4-14(10-18(19)23)15-8-16(24)11-17(9-15)29-2/h4-5,8-11H,3,6-7,12-13H2,1-2H3,(H2,25,26)/t22-,23+/m1/s1
InChIKeyBEAXYLBLOMZTQX-PKTZIBPZSA-N
MW425.46 g/mol
LogP2.82
Rot. Bonds2

About CID 58424418

CID 58424418 (PubChem CID 58424418) has the molecular formula C23H24FN3O4 and a molecular weight of 425.46 g/mol.

Molecular Properties

Compound NameCID 58424418
PubChem CID58424418
Molecular FormulaC23H24FN3O4
Molecular Weight425.46 g/mol
Exact Mass425.18
IUPAC Name—
SMILESCOc1cc(F)cc(-c2ccc3c(c2)[C@]2(C[C@@]4(CCCOC4)O3)N=C(N)N(C)C2=O)c1
InChIInChI=1S/C23H24FN3O4/c1-27-20(28)23(26-21(27)25)12-22(6-3-7-30-13-22)31-19-5-4-14(10-18(19)23)15-8-16(24)11-17(9-15)29-2/h4-5,8-11H,3,6-7,12-13H2,1-2H3,(H2,25,26)/t22-,23+/m1/s1
InChIKeyBEAXYLBLOMZTQX-PKTZIBPZSA-N
XLogP2.82
TPSA86.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.46
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of CID 58424418?
The IUPAC name of CID 58424418 (CID 58424418) is not available.
What is the SMILES notation for CID 58424418?
The canonical SMILES for CID 58424418 is COc1cc(F)cc(-c2ccc3c(c2)[C@]2(C[C@@]4(CCCOC4)O3)N=C(N)N(C)C2=O)c1.
What is the InChIKey of CID 58424418?
The InChIKey is BEAXYLBLOMZTQX-PKTZIBPZSA-N. The full InChI is InChI=1S/C23H24FN3O4/c1-27-20(28)23(26-21(27)25)12-22(6-3-7-30-13-22)31-19-5-4-14(10-18(19)23)15-8-16(24)11-17(9-15)29-2/h4-5,8-11H,3,6-7,12-13H2,1-2H3,(H2,25,26)/t22-,23+/m1/s1.
What are the key properties of CID 58424418?
CID 58424418 has a molecular weight of 425.46 g/mol, XLogP of 2.82, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for CID 58424418 is sourced from PubChem (CID 58424418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).