CID 58197393

C24H26F3N3O3 — CID 58197393

IUPAC—
SMILESCOC1CCC2(CC1)Cc1ccc(-c3cccc(OC(F)(F)F)c3)cc1C21N=C(N)N(C)O1
InChIInChI=1S/C24H26F3N3O3/c1-30-21(28)29-23(33-30)20-13-16(15-4-3-5-19(12-15)32-24(25,26)27)6-7-17(20)14-22(23)10-8-18(31-2)9-11-22/h3-7,12-13,18H,8-11,14H2,1-2H3,(H2,28,29)
InChIKeyYUXAILNGSXIUQD-UHFFFAOYSA-N
MW461.48 g/mol
LogP4.73
Rot. Bonds3

About CID 58197393

CID 58197393 (PubChem CID 58197393) has the molecular formula C24H26F3N3O3 and a molecular weight of 461.48 g/mol.

Molecular Properties

Compound NameCID 58197393
PubChem CID58197393
Molecular FormulaC24H26F3N3O3
Molecular Weight461.48 g/mol
Exact Mass461.19
IUPAC Name—
SMILESCOC1CCC2(CC1)Cc1ccc(-c3cccc(OC(F)(F)F)c3)cc1C21N=C(N)N(C)O1
InChIInChI=1S/C24H26F3N3O3/c1-30-21(28)29-23(33-30)20-13-16(15-4-3-5-19(12-15)32-24(25,26)27)6-7-17(20)14-22(23)10-8-18(31-2)9-11-22/h3-7,12-13,18H,8-11,14H2,1-2H3,(H2,28,29)
InChIKeyYUXAILNGSXIUQD-UHFFFAOYSA-N
XLogP4.73
TPSA69.31 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.48
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 58197393?
The IUPAC name of CID 58197393 (CID 58197393) is not available.
What is the SMILES notation for CID 58197393?
The canonical SMILES for CID 58197393 is COC1CCC2(CC1)Cc1ccc(-c3cccc(OC(F)(F)F)c3)cc1C21N=C(N)N(C)O1.
What is the InChIKey of CID 58197393?
The InChIKey is YUXAILNGSXIUQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26F3N3O3/c1-30-21(28)29-23(33-30)20-13-16(15-4-3-5-19(12-15)32-24(25,26)27)6-7-17(20)14-22(23)10-8-18(31-2)9-11-22/h3-7,12-13,18H,8-11,14H2,1-2H3,(H2,28,29).
What are the key properties of CID 58197393?
CID 58197393 has a molecular weight of 461.48 g/mol, XLogP of 4.73, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for CID 58197393 is sourced from PubChem (CID 58197393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).