CID 90965406

C25H25FN4O2 — CID 90965406

IUPAC—
SMILESCc1cc(F)cc(-c2ccc3c(c2)C2(N=C(N)N(C)O2)C2(CCc4onc(C)c4C2)C3)c1
InChIInChI=1S/C25H25FN4O2/c1-14-8-18(10-19(26)9-14)16-4-5-17-12-24(7-6-22-20(13-24)15(2)29-31-22)25(21(17)11-16)28-23(27)30(3)32-25/h4-5,8-11H,6-7,12-13H2,1-3H3,(H2,27,28)
InChIKeyXRKZFMXASVHLAY-UHFFFAOYSA-N
MW432.50 g/mol
LogP4.17
Rot. Bonds1

About CID 90965406

CID 90965406 (PubChem CID 90965406) has the molecular formula C25H25FN4O2 and a molecular weight of 432.50 g/mol.

Molecular Properties

Compound NameCID 90965406
PubChem CID90965406
Molecular FormulaC25H25FN4O2
Molecular Weight432.50 g/mol
Exact Mass432.20
IUPAC Name—
SMILESCc1cc(F)cc(-c2ccc3c(c2)C2(N=C(N)N(C)O2)C2(CCc4onc(C)c4C2)C3)c1
InChIInChI=1S/C25H25FN4O2/c1-14-8-18(10-19(26)9-14)16-4-5-17-12-24(7-6-22-20(13-24)15(2)29-31-22)25(21(17)11-16)28-23(27)30(3)32-25/h4-5,8-11H,6-7,12-13H2,1-3H3,(H2,27,28)
InChIKeyXRKZFMXASVHLAY-UHFFFAOYSA-N
XLogP4.17
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.50
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze CID 90965406 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 90965406?
The IUPAC name of CID 90965406 (CID 90965406) is not available.
What is the SMILES notation for CID 90965406?
The canonical SMILES for CID 90965406 is Cc1cc(F)cc(-c2ccc3c(c2)C2(N=C(N)N(C)O2)C2(CCc4onc(C)c4C2)C3)c1.
What is the InChIKey of CID 90965406?
The InChIKey is XRKZFMXASVHLAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25FN4O2/c1-14-8-18(10-19(26)9-14)16-4-5-17-12-24(7-6-22-20(13-24)15(2)29-31-22)25(21(17)11-16)28-23(27)30(3)32-25/h4-5,8-11H,6-7,12-13H2,1-3H3,(H2,27,28).
What are the key properties of CID 90965406?
CID 90965406 has a molecular weight of 432.50 g/mol, XLogP of 4.17, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for CID 90965406 is sourced from PubChem (CID 90965406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).