CID 90056284

C20H22N4O5 — CID 90056284

IUPAC—
SMILESCc1nc(C(=O)Nc2ccc3c(c2)C2(COC(N)=N2)C2(COC2)C(C)(C)O3)co1
InChIInChI=1S/C20H22N4O5/c1-11-22-14(7-27-11)16(25)23-12-4-5-15-13(6-12)20(10-28-17(21)24-20)19(8-26-9-19)18(2,3)29-15/h4-7H,8-10H2,1-3H3,(H2,21,24)(H,23,25)
InChIKeyWDDNEIDPLGVMSA-UHFFFAOYSA-N
MW398.42 g/mol
LogP1.96
Rot. Bonds2

About CID 90056284

CID 90056284 (PubChem CID 90056284) has the molecular formula C20H22N4O5 and a molecular weight of 398.42 g/mol.

Molecular Properties

Compound NameCID 90056284
PubChem CID90056284
Molecular FormulaC20H22N4O5
Molecular Weight398.42 g/mol
Exact Mass398.16
IUPAC Name—
SMILESCc1nc(C(=O)Nc2ccc3c(c2)C2(COC(N)=N2)C2(COC2)C(C)(C)O3)co1
InChIInChI=1S/C20H22N4O5/c1-11-22-14(7-27-11)16(25)23-12-4-5-15-13(6-12)20(10-28-17(21)24-20)19(8-26-9-19)18(2,3)29-15/h4-7H,8-10H2,1-3H3,(H2,21,24)(H,23,25)
InChIKeyWDDNEIDPLGVMSA-UHFFFAOYSA-N
XLogP1.96
TPSA121.20 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.42
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze CID 90056284 with MolForge

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

Launch Full Analysis

Related Compounds

CID 90055997
CID 90055997
CID 90056346
CID 90056346
CID 123368464
CID 123368464
CID 90056266
CID 90056266
CID 123833644
CID 123833644
CID 147485411
CID 147485411
CID 90056272
CID 90056272
CID 158092696
CID 158092696
CID 161008430
CID 161008430
CID 159515178
CID 159515178
CID 90055966
CID 90055966
CID 90054977
CID 90054977

Frequently Asked Questions

What is the IUPAC name of CID 90056284?
The IUPAC name of CID 90056284 (CID 90056284) is not available.
What is the SMILES notation for CID 90056284?
The canonical SMILES for CID 90056284 is Cc1nc(C(=O)Nc2ccc3c(c2)C2(COC(N)=N2)C2(COC2)C(C)(C)O3)co1.
What is the InChIKey of CID 90056284?
The InChIKey is WDDNEIDPLGVMSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O5/c1-11-22-14(7-27-11)16(25)23-12-4-5-15-13(6-12)20(10-28-17(21)24-20)19(8-26-9-19)18(2,3)29-15/h4-7H,8-10H2,1-3H3,(H2,21,24)(H,23,25).
What are the key properties of CID 90056284?
CID 90056284 has a molecular weight of 398.42 g/mol, XLogP of 1.96, 2 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for CID 90056284 is sourced from PubChem (CID 90056284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).