CID 46927093

C27H24N4O — CID 46927093

IUPAC—
SMILESCN1OC2(N=C1N)c1cc(-c3cccc(C#N)c3)ccc1CC21CCc2ccccc2C1
InChIInChI=1S/C27H24N4O/c1-31-25(29)30-27(32-31)24-14-21(20-8-4-5-18(13-20)17-28)9-10-23(24)16-26(27)12-11-19-6-2-3-7-22(19)15-26/h2-10,13-14H,11-12,15-16H2,1H3,(H2,29,30)
InChIKeyMSYXYCKNYXJRHO-UHFFFAOYSA-N
MW420.52 g/mol
LogP4.30
Rot. Bonds1

About CID 46927093

CID 46927093 (PubChem CID 46927093) has the molecular formula C27H24N4O and a molecular weight of 420.52 g/mol.

Molecular Properties

Compound NameCID 46927093
PubChem CID46927093
Molecular FormulaC27H24N4O
Molecular Weight420.52 g/mol
Exact Mass420.20
IUPAC Name—
SMILESCN1OC2(N=C1N)c1cc(-c3cccc(C#N)c3)ccc1CC21CCc2ccccc2C1
InChIInChI=1S/C27H24N4O/c1-31-25(29)30-27(32-31)24-14-21(20-8-4-5-18(13-20)17-28)9-10-23(24)16-26(27)12-11-19-6-2-3-7-22(19)15-26/h2-10,13-14H,11-12,15-16H2,1H3,(H2,29,30)
InChIKeyMSYXYCKNYXJRHO-UHFFFAOYSA-N
XLogP4.30
TPSA74.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.52
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of CID 46927093?
The IUPAC name of CID 46927093 (CID 46927093) is not available.
What is the SMILES notation for CID 46927093?
The canonical SMILES for CID 46927093 is CN1OC2(N=C1N)c1cc(-c3cccc(C#N)c3)ccc1CC21CCc2ccccc2C1.
What is the InChIKey of CID 46927093?
The InChIKey is MSYXYCKNYXJRHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24N4O/c1-31-25(29)30-27(32-31)24-14-21(20-8-4-5-18(13-20)17-28)9-10-23(24)16-26(27)12-11-19-6-2-3-7-22(19)15-26/h2-10,13-14H,11-12,15-16H2,1H3,(H2,29,30).
What are the key properties of CID 46927093?
CID 46927093 has a molecular weight of 420.52 g/mol, XLogP of 4.30, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for CID 46927093 is sourced from PubChem (CID 46927093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).