CID 57339069

C25H26N9O — CID 57339069

IUPAC—
SMILESCC(C)N1[N]C(c2cccc(-c3cc(-n4cccn4)nc(-n4cccn4)c3)c2)=NN(C(C)C)C1=O
InChIInChI=1S/C25H26N9O/c1-17(2)33-25(35)34(18(3)4)30-24(29-33)20-9-5-8-19(14-20)21-15-22(31-12-6-10-26-31)28-23(16-21)32-13-7-11-27-32/h5-18H,1-4H3
InChIKeyPPBBHAFYKWLDON-UHFFFAOYSA-N
MW468.55 g/mol
LogP3.86
Rot. Bonds6

About CID 57339069

CID 57339069 (PubChem CID 57339069) has the molecular formula C25H26N9O and a molecular weight of 468.55 g/mol.

Molecular Properties

Compound NameCID 57339069
PubChem CID57339069
Molecular FormulaC25H26N9O
Molecular Weight468.55 g/mol
Exact Mass468.23
IUPAC Name—
SMILESCC(C)N1[N]C(c2cccc(-c3cc(-n4cccn4)nc(-n4cccn4)c3)c2)=NN(C(C)C)C1=O
InChIInChI=1S/C25H26N9O/c1-17(2)33-25(35)34(18(3)4)30-24(29-33)20-9-5-8-19(14-20)21-15-22(31-12-6-10-26-31)28-23(16-21)32-13-7-11-27-32/h5-18H,1-4H3
InChIKeyPPBBHAFYKWLDON-UHFFFAOYSA-N
XLogP3.86
TPSA98.54 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.55
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of CID 57339069?
The IUPAC name of CID 57339069 (CID 57339069) is not available.
What is the SMILES notation for CID 57339069?
The canonical SMILES for CID 57339069 is CC(C)N1[N]C(c2cccc(-c3cc(-n4cccn4)nc(-n4cccn4)c3)c2)=NN(C(C)C)C1=O.
What is the InChIKey of CID 57339069?
The InChIKey is PPBBHAFYKWLDON-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N9O/c1-17(2)33-25(35)34(18(3)4)30-24(29-33)20-9-5-8-19(14-20)21-15-22(31-12-6-10-26-31)28-23(16-21)32-13-7-11-27-32/h5-18H,1-4H3.
What are the key properties of CID 57339069?
CID 57339069 has a molecular weight of 468.55 g/mol, XLogP of 3.86, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for CID 57339069 is sourced from PubChem (CID 57339069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).