CID 58197025

C25H23ClN4O2 — CID 58197025

IUPAC—
SMILESCc1onc2c1CC1(CC2)Cc2ccc(-c3cccc(Cl)c3)cc2C12N=C(N)N(C)C2=O
InChIInChI=1S/C25H23ClN4O2/c1-14-19-13-24(9-8-21(19)29-32-14)12-17-7-6-16(15-4-3-5-18(26)10-15)11-20(17)25(24)22(31)30(2)23(27)28-25/h3-7,10-11H,8-9,12-13H2,1-2H3,(H2,27,28)
InChIKeyGLRDCLJMIBECEN-UHFFFAOYSA-N
MW446.94 g/mol
LogP4.02
Rot. Bonds1

About CID 58197025

CID 58197025 (PubChem CID 58197025) has the molecular formula C25H23ClN4O2 and a molecular weight of 446.94 g/mol.

Molecular Properties

Compound NameCID 58197025
PubChem CID58197025
Molecular FormulaC25H23ClN4O2
Molecular Weight446.94 g/mol
Exact Mass446.15
IUPAC Name—
SMILESCc1onc2c1CC1(CC2)Cc2ccc(-c3cccc(Cl)c3)cc2C12N=C(N)N(C)C2=O
InChIInChI=1S/C25H23ClN4O2/c1-14-19-13-24(9-8-21(19)29-32-14)12-17-7-6-16(15-4-3-5-18(26)10-15)11-20(17)25(24)22(31)30(2)23(27)28-25/h3-7,10-11H,8-9,12-13H2,1-2H3,(H2,27,28)
InChIKeyGLRDCLJMIBECEN-UHFFFAOYSA-N
XLogP4.02
TPSA84.72 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.94
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of CID 58197025?
The IUPAC name of CID 58197025 (CID 58197025) is not available.
What is the SMILES notation for CID 58197025?
The canonical SMILES for CID 58197025 is Cc1onc2c1CC1(CC2)Cc2ccc(-c3cccc(Cl)c3)cc2C12N=C(N)N(C)C2=O.
What is the InChIKey of CID 58197025?
The InChIKey is GLRDCLJMIBECEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23ClN4O2/c1-14-19-13-24(9-8-21(19)29-32-14)12-17-7-6-16(15-4-3-5-18(26)10-15)11-20(17)25(24)22(31)30(2)23(27)28-25/h3-7,10-11H,8-9,12-13H2,1-2H3,(H2,27,28).
What are the key properties of CID 58197025?
CID 58197025 has a molecular weight of 446.94 g/mol, XLogP of 4.02, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for CID 58197025 is sourced from PubChem (CID 58197025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).