CID 58423868

C25H27N3O5 — CID 58423868

IUPAC—
SMILESCCOC(=O)c1cccc(-c2ccc3c(c2)C2(CC4(CCCOC4)O3)N=C(N)N(C)C2=O)c1
InChIInChI=1S/C25H27N3O5/c1-3-32-21(29)18-7-4-6-16(12-18)17-8-9-20-19(13-17)25(22(30)28(2)23(26)27-25)14-24(33-20)10-5-11-31-15-24/h4,6-9,12-13H,3,5,10-11,14-15H2,1-2H3,(H2,26,27)
InChIKeyGKQPOQZCOIVQSZ-UHFFFAOYSA-N
MW449.51 g/mol
LogP2.84
Rot. Bonds3

About CID 58423868

CID 58423868 (PubChem CID 58423868) has the molecular formula C25H27N3O5 and a molecular weight of 449.51 g/mol.

Molecular Properties

Compound NameCID 58423868
PubChem CID58423868
Molecular FormulaC25H27N3O5
Molecular Weight449.51 g/mol
Exact Mass449.20
IUPAC Name—
SMILESCCOC(=O)c1cccc(-c2ccc3c(c2)C2(CC4(CCCOC4)O3)N=C(N)N(C)C2=O)c1
InChIInChI=1S/C25H27N3O5/c1-3-32-21(29)18-7-4-6-16(12-18)17-8-9-20-19(13-17)25(22(30)28(2)23(26)27-25)14-24(33-20)10-5-11-31-15-24/h4,6-9,12-13H,3,5,10-11,14-15H2,1-2H3,(H2,26,27)
InChIKeyGKQPOQZCOIVQSZ-UHFFFAOYSA-N
XLogP2.84
TPSA103.45 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.51
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of CID 58423868?
The IUPAC name of CID 58423868 (CID 58423868) is not available.
What is the SMILES notation for CID 58423868?
The canonical SMILES for CID 58423868 is CCOC(=O)c1cccc(-c2ccc3c(c2)C2(CC4(CCCOC4)O3)N=C(N)N(C)C2=O)c1.
What is the InChIKey of CID 58423868?
The InChIKey is GKQPOQZCOIVQSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N3O5/c1-3-32-21(29)18-7-4-6-16(12-18)17-8-9-20-19(13-17)25(22(30)28(2)23(26)27-25)14-24(33-20)10-5-11-31-15-24/h4,6-9,12-13H,3,5,10-11,14-15H2,1-2H3,(H2,26,27).
What are the key properties of CID 58423868?
CID 58423868 has a molecular weight of 449.51 g/mol, XLogP of 2.84, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for CID 58423868 is sourced from PubChem (CID 58423868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).