CID 147485411

C20H22N4O5 — CID 147485411

IUPAC—
SMILESCc1nnc(C(=O)Cc2ccc3c(c2)C2(COC(N)=N2)C2(COC2)C(C)(C)O3)o1
InChIInChI=1S/C20H22N4O5/c1-11-23-24-16(28-11)14(25)7-12-4-5-15-13(6-12)20(10-27-17(21)22-20)19(8-26-9-19)18(2,3)29-15/h4-6H,7-10H2,1-3H3,(H2,21,22)
InChIKeyFELZTFPWDMAMCF-UHFFFAOYSA-N
MW398.42 g/mol
LogP1.53
Rot. Bonds3

About CID 147485411

CID 147485411 (PubChem CID 147485411) has the molecular formula C20H22N4O5 and a molecular weight of 398.42 g/mol.

Molecular Properties

Compound NameCID 147485411
PubChem CID147485411
Molecular FormulaC20H22N4O5
Molecular Weight398.42 g/mol
Exact Mass398.16
IUPAC Name—
SMILESCc1nnc(C(=O)Cc2ccc3c(c2)C2(COC(N)=N2)C2(COC2)C(C)(C)O3)o1
InChIInChI=1S/C20H22N4O5/c1-11-23-24-16(28-11)14(25)7-12-4-5-15-13(6-12)20(10-27-17(21)22-20)19(8-26-9-19)18(2,3)29-15/h4-6H,7-10H2,1-3H3,(H2,21,22)
InChIKeyFELZTFPWDMAMCF-UHFFFAOYSA-N
XLogP1.53
TPSA122.06 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.42
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of CID 147485411?
The IUPAC name of CID 147485411 (CID 147485411) is not available.
What is the SMILES notation for CID 147485411?
The canonical SMILES for CID 147485411 is Cc1nnc(C(=O)Cc2ccc3c(c2)C2(COC(N)=N2)C2(COC2)C(C)(C)O3)o1.
What is the InChIKey of CID 147485411?
The InChIKey is FELZTFPWDMAMCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O5/c1-11-23-24-16(28-11)14(25)7-12-4-5-15-13(6-12)20(10-27-17(21)22-20)19(8-26-9-19)18(2,3)29-15/h4-6H,7-10H2,1-3H3,(H2,21,22).
What are the key properties of CID 147485411?
CID 147485411 has a molecular weight of 398.42 g/mol, XLogP of 1.53, 3 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for CID 147485411 is sourced from PubChem (CID 147485411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).