CID 58424436

C25H27N3O5 — CID 58424436

IUPAC—
SMILESCCOC(=O)c1cccc(-c2ccc3c(c2)[C@]2(C[C@@]4(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)/t24-,25+/m1/s1
InChIKeyGKQPOQZCOIVQSZ-RPBOFIJWSA-N
MW449.51 g/mol
LogP2.84
Rot. Bonds3

About CID 58424436

CID 58424436 (PubChem CID 58424436) has the molecular formula C25H27N3O5 and a molecular weight of 449.51 g/mol.

Molecular Properties

Compound NameCID 58424436
PubChem CID58424436
Molecular FormulaC25H27N3O5
Molecular Weight449.51 g/mol
Exact Mass449.20
IUPAC Name—
SMILESCCOC(=O)c1cccc(-c2ccc3c(c2)[C@]2(C[C@@]4(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)/t24-,25+/m1/s1
InChIKeyGKQPOQZCOIVQSZ-RPBOFIJWSA-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

Analyze CID 58424436 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of CID 58424436?
The IUPAC name of CID 58424436 (CID 58424436) is not available.
What is the SMILES notation for CID 58424436?
The canonical SMILES for CID 58424436 is CCOC(=O)c1cccc(-c2ccc3c(c2)[C@]2(C[C@@]4(CCCOC4)O3)N=C(N)N(C)C2=O)c1.
What is the InChIKey of CID 58424436?
The InChIKey is GKQPOQZCOIVQSZ-RPBOFIJWSA-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)/t24-,25+/m1/s1.
What are the key properties of CID 58424436?
CID 58424436 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 58424436 is sourced from PubChem (CID 58424436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).