CID 58424272

C28H25FN4O2 — CID 58424272

IUPAC—
SMILESCN1OC2(CC3(CCCc4ccccc4C3)Oc3ccc(-c4cc(F)cc(C#N)c4)cc32)N=C1N
InChIInChI=1S/C28H25FN4O2/c1-33-26(31)32-28(35-33)17-27(10-4-7-19-5-2-3-6-21(19)15-27)34-25-9-8-20(14-24(25)28)22-11-18(16-30)12-23(29)13-22/h2-3,5-6,8-9,11-14H,4,7,10,15,17H2,1H3,(H2,31,32)
InChIKeyJNJPJBJSYXKSBK-UHFFFAOYSA-N
MW468.53 g/mol
LogP4.81
Rot. Bonds1

About CID 58424272

CID 58424272 (PubChem CID 58424272) has the molecular formula C28H25FN4O2 and a molecular weight of 468.53 g/mol.

Molecular Properties

Compound NameCID 58424272
PubChem CID58424272
Molecular FormulaC28H25FN4O2
Molecular Weight468.53 g/mol
Exact Mass468.20
IUPAC Name—
SMILESCN1OC2(CC3(CCCc4ccccc4C3)Oc3ccc(-c4cc(F)cc(C#N)c4)cc32)N=C1N
InChIInChI=1S/C28H25FN4O2/c1-33-26(31)32-28(35-33)17-27(10-4-7-19-5-2-3-6-21(19)15-27)34-25-9-8-20(14-24(25)28)22-11-18(16-30)12-23(29)13-22/h2-3,5-6,8-9,11-14H,4,7,10,15,17H2,1H3,(H2,31,32)
InChIKeyJNJPJBJSYXKSBK-UHFFFAOYSA-N
XLogP4.81
TPSA83.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.53
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of CID 58424272?
The IUPAC name of CID 58424272 (CID 58424272) is not available.
What is the SMILES notation for CID 58424272?
The canonical SMILES for CID 58424272 is CN1OC2(CC3(CCCc4ccccc4C3)Oc3ccc(-c4cc(F)cc(C#N)c4)cc32)N=C1N.
What is the InChIKey of CID 58424272?
The InChIKey is JNJPJBJSYXKSBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H25FN4O2/c1-33-26(31)32-28(35-33)17-27(10-4-7-19-5-2-3-6-21(19)15-27)34-25-9-8-20(14-24(25)28)22-11-18(16-30)12-23(29)13-22/h2-3,5-6,8-9,11-14H,4,7,10,15,17H2,1H3,(H2,31,32).
What are the key properties of CID 58424272?
CID 58424272 has a molecular weight of 468.53 g/mol, XLogP of 4.81, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for CID 58424272 is sourced from PubChem (CID 58424272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).