CID 58424026

C23H24N4O3 — CID 58424026

IUPAC—
SMILESCN1OCC2(CC3(CCCOC3)Oc3ccc(-c4cccc(C#N)c4)cc32)N=C1N
InChIInChI=1S/C23H24N4O3/c1-27-21(25)26-23(15-29-27)13-22(8-3-9-28-14-22)30-20-7-6-18(11-19(20)23)17-5-2-4-16(10-17)12-24/h2,4-7,10-11H,3,8-9,13-15H2,1H3,(H2,25,26)
InChIKeyIDTLESQKGKHHIT-UHFFFAOYSA-N
MW404.47 g/mol
LogP2.94
Rot. Bonds1

About CID 58424026

CID 58424026 (PubChem CID 58424026) has the molecular formula C23H24N4O3 and a molecular weight of 404.47 g/mol.

Molecular Properties

Compound NameCID 58424026
PubChem CID58424026
Molecular FormulaC23H24N4O3
Molecular Weight404.47 g/mol
Exact Mass404.18
IUPAC Name—
SMILESCN1OCC2(CC3(CCCOC3)Oc3ccc(-c4cccc(C#N)c4)cc32)N=C1N
InChIInChI=1S/C23H24N4O3/c1-27-21(25)26-23(15-29-27)13-22(8-3-9-28-14-22)30-20-7-6-18(11-19(20)23)17-5-2-4-16(10-17)12-24/h2,4-7,10-11H,3,8-9,13-15H2,1H3,(H2,25,26)
InChIKeyIDTLESQKGKHHIT-UHFFFAOYSA-N
XLogP2.94
TPSA93.10 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.47
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of CID 58424026?
The IUPAC name of CID 58424026 (CID 58424026) is not available.
What is the SMILES notation for CID 58424026?
The canonical SMILES for CID 58424026 is CN1OCC2(CC3(CCCOC3)Oc3ccc(-c4cccc(C#N)c4)cc32)N=C1N.
What is the InChIKey of CID 58424026?
The InChIKey is IDTLESQKGKHHIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O3/c1-27-21(25)26-23(15-29-27)13-22(8-3-9-28-14-22)30-20-7-6-18(11-19(20)23)17-5-2-4-16(10-17)12-24/h2,4-7,10-11H,3,8-9,13-15H2,1H3,(H2,25,26).
What are the key properties of CID 58424026?
CID 58424026 has a molecular weight of 404.47 g/mol, XLogP of 2.94, 1 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for CID 58424026 is sourced from PubChem (CID 58424026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).