CID 58197591

C26H24N6O — CID 58197591

IUPAC—
SMILESCN1OC2(N=C1N)c1cc(-c3cccc(C#N)c3)ccc1CC21CCCc2cnncc2C1
InChIInChI=1S/C26H24N6O/c1-32-24(28)31-26(33-32)23-11-19(18-5-2-4-17(10-18)14-27)7-8-20(23)12-25(26)9-3-6-21-15-29-30-16-22(21)13-25/h2,4-5,7-8,10-11,15-16H,3,6,9,12-13H2,1H3,(H2,28,31)
InChIKeyFZRKMEJZXFBRKO-UHFFFAOYSA-N
MW436.52 g/mol
LogP3.48
Rot. Bonds1

About CID 58197591

CID 58197591 (PubChem CID 58197591) has the molecular formula C26H24N6O and a molecular weight of 436.52 g/mol.

Molecular Properties

Compound NameCID 58197591
PubChem CID58197591
Molecular FormulaC26H24N6O
Molecular Weight436.52 g/mol
Exact Mass436.20
IUPAC Name—
SMILESCN1OC2(N=C1N)c1cc(-c3cccc(C#N)c3)ccc1CC21CCCc2cnncc2C1
InChIInChI=1S/C26H24N6O/c1-32-24(28)31-26(33-32)23-11-19(18-5-2-4-17(10-18)14-27)7-8-20(23)12-25(26)9-3-6-21-15-29-30-16-22(21)13-25/h2,4-5,7-8,10-11,15-16H,3,6,9,12-13H2,1H3,(H2,28,31)
InChIKeyFZRKMEJZXFBRKO-UHFFFAOYSA-N
XLogP3.48
TPSA100.42 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.52
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of CID 58197591?
The IUPAC name of CID 58197591 (CID 58197591) is not available.
What is the SMILES notation for CID 58197591?
The canonical SMILES for CID 58197591 is CN1OC2(N=C1N)c1cc(-c3cccc(C#N)c3)ccc1CC21CCCc2cnncc2C1.
What is the InChIKey of CID 58197591?
The InChIKey is FZRKMEJZXFBRKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N6O/c1-32-24(28)31-26(33-32)23-11-19(18-5-2-4-17(10-18)14-27)7-8-20(23)12-25(26)9-3-6-21-15-29-30-16-22(21)13-25/h2,4-5,7-8,10-11,15-16H,3,6,9,12-13H2,1H3,(H2,28,31).
What are the key properties of CID 58197591?
CID 58197591 has a molecular weight of 436.52 g/mol, XLogP of 3.48, 1 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for CID 58197591 is sourced from PubChem (CID 58197591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).