CID 57385372

C23H25ClN4O — CID 57385372

IUPAC—
SMILESCOC1CCC2(CC1)Cc1ccc(-c3cncc(Cl)c3)cc1C21N=C(C)C(N)=N1
InChIInChI=1S/C23H25ClN4O/c1-14-21(25)28-23(27-14)20-10-15(17-9-18(24)13-26-12-17)3-4-16(20)11-22(23)7-5-19(29-2)6-8-22/h3-4,9-10,12-13,19H,5-8,11H2,1-2H3,(H2,25,28)
InChIKeyXSPYGYYSPGDIRH-UHFFFAOYSA-N
MW408.93 g/mol
LogP4.52
Rot. Bonds2

About CID 57385372

CID 57385372 (PubChem CID 57385372) has the molecular formula C23H25ClN4O and a molecular weight of 408.93 g/mol.

Molecular Properties

Compound NameCID 57385372
PubChem CID57385372
Molecular FormulaC23H25ClN4O
Molecular Weight408.93 g/mol
Exact Mass408.17
IUPAC Name—
SMILESCOC1CCC2(CC1)Cc1ccc(-c3cncc(Cl)c3)cc1C21N=C(C)C(N)=N1
InChIInChI=1S/C23H25ClN4O/c1-14-21(25)28-23(27-14)20-10-15(17-9-18(24)13-26-12-17)3-4-16(20)11-22(23)7-5-19(29-2)6-8-22/h3-4,9-10,12-13,19H,5-8,11H2,1-2H3,(H2,25,28)
InChIKeyXSPYGYYSPGDIRH-UHFFFAOYSA-N
XLogP4.52
TPSA72.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.93
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of CID 57385372?
The IUPAC name of CID 57385372 (CID 57385372) is not available.
What is the SMILES notation for CID 57385372?
The canonical SMILES for CID 57385372 is COC1CCC2(CC1)Cc1ccc(-c3cncc(Cl)c3)cc1C21N=C(C)C(N)=N1.
What is the InChIKey of CID 57385372?
The InChIKey is XSPYGYYSPGDIRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25ClN4O/c1-14-21(25)28-23(27-14)20-10-15(17-9-18(24)13-26-12-17)3-4-16(20)11-22(23)7-5-19(29-2)6-8-22/h3-4,9-10,12-13,19H,5-8,11H2,1-2H3,(H2,25,28).
What are the key properties of CID 57385372?
CID 57385372 has a molecular weight of 408.93 g/mol, XLogP of 4.52, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for CID 57385372 is sourced from PubChem (CID 57385372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).