CID 57385627

C25H26F3N5O2 — CID 57385627

IUPAC—
SMILESCOC1CCC2(CC1)Cc1ccc(NC(=O)c3ccc(C(F)(F)F)cn3)cc1C21N=C(C)C(N)=N1
InChIInChI=1S/C25H26F3N5O2/c1-14-21(29)33-24(32-14)19-11-17(31-22(34)20-6-4-16(13-30-20)25(26,27)28)5-3-15(19)12-23(24)9-7-18(35-2)8-10-23/h3-6,11,13,18H,7-10,12H2,1-2H3,(H2,29,33)(H,31,34)
InChIKeyOAMAZEDOCLMRJG-UHFFFAOYSA-N
MW485.51 g/mol
LogP4.47
Rot. Bonds3

About CID 57385627

CID 57385627 (PubChem CID 57385627) has the molecular formula C25H26F3N5O2 and a molecular weight of 485.51 g/mol.

Molecular Properties

Compound NameCID 57385627
PubChem CID57385627
Molecular FormulaC25H26F3N5O2
Molecular Weight485.51 g/mol
Exact Mass485.20
IUPAC Name—
SMILESCOC1CCC2(CC1)Cc1ccc(NC(=O)c3ccc(C(F)(F)F)cn3)cc1C21N=C(C)C(N)=N1
InChIInChI=1S/C25H26F3N5O2/c1-14-21(29)33-24(32-14)19-11-17(31-22(34)20-6-4-16(13-30-20)25(26,27)28)5-3-15(19)12-23(24)9-7-18(35-2)8-10-23/h3-6,11,13,18H,7-10,12H2,1-2H3,(H2,29,33)(H,31,34)
InChIKeyOAMAZEDOCLMRJG-UHFFFAOYSA-N
XLogP4.47
TPSA101.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.51
LogP ≤ 54.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of CID 57385627?
The IUPAC name of CID 57385627 (CID 57385627) is not available.
What is the SMILES notation for CID 57385627?
The canonical SMILES for CID 57385627 is COC1CCC2(CC1)Cc1ccc(NC(=O)c3ccc(C(F)(F)F)cn3)cc1C21N=C(C)C(N)=N1.
What is the InChIKey of CID 57385627?
The InChIKey is OAMAZEDOCLMRJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26F3N5O2/c1-14-21(29)33-24(32-14)19-11-17(31-22(34)20-6-4-16(13-30-20)25(26,27)28)5-3-15(19)12-23(24)9-7-18(35-2)8-10-23/h3-6,11,13,18H,7-10,12H2,1-2H3,(H2,29,33)(H,31,34).
What are the key properties of CID 57385627?
CID 57385627 has a molecular weight of 485.51 g/mol, XLogP of 4.47, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for CID 57385627 is sourced from PubChem (CID 57385627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).