CID 164582060

C20H26FN3O4 — CID 164582060

IUPAC—
SMILESCOc1cc2c(cc1F)CN(C[C@@H](C)CO)C21CCC2(CC1)NC(=O)NC2=O
InChIInChI=1S/C20H26FN3O4/c1-12(11-25)9-24-10-13-7-15(21)16(28-2)8-14(13)20(24)5-3-19(4-6-20)17(26)22-18(27)23-19/h7-8,12,25H,3-6,9-11H2,1-2H3,(H2,22,23,26,27)/t12-,19?,20?/m1/s1
InChIKeyJVCVIZRRHHTKEK-ASVYPPMBSA-N
MW391.44 g/mol
LogP1.63
Rot. Bonds4

About CID 164582060

CID 164582060 (PubChem CID 164582060) has the molecular formula C20H26FN3O4 and a molecular weight of 391.44 g/mol.

Molecular Properties

Compound NameCID 164582060
PubChem CID164582060
Molecular FormulaC20H26FN3O4
Molecular Weight391.44 g/mol
Exact Mass391.19
IUPAC Name—
SMILESCOc1cc2c(cc1F)CN(C[C@@H](C)CO)C21CCC2(CC1)NC(=O)NC2=O
InChIInChI=1S/C20H26FN3O4/c1-12(11-25)9-24-10-13-7-15(21)16(28-2)8-14(13)20(24)5-3-19(4-6-20)17(26)22-18(27)23-19/h7-8,12,25H,3-6,9-11H2,1-2H3,(H2,22,23,26,27)/t12-,19?,20?/m1/s1
InChIKeyJVCVIZRRHHTKEK-ASVYPPMBSA-N
XLogP1.63
TPSA90.90 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.44
LogP ≤ 51.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}

Analyze CID 164582060 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 164582060?
The IUPAC name of CID 164582060 (CID 164582060) is not available.
What is the SMILES notation for CID 164582060?
The canonical SMILES for CID 164582060 is COc1cc2c(cc1F)CN(C[C@@H](C)CO)C21CCC2(CC1)NC(=O)NC2=O.
What is the InChIKey of CID 164582060?
The InChIKey is JVCVIZRRHHTKEK-ASVYPPMBSA-N. The full InChI is InChI=1S/C20H26FN3O4/c1-12(11-25)9-24-10-13-7-15(21)16(28-2)8-14(13)20(24)5-3-19(4-6-20)17(26)22-18(27)23-19/h7-8,12,25H,3-6,9-11H2,1-2H3,(H2,22,23,26,27)/t12-,19?,20?/m1/s1.
What are the key properties of CID 164582060?
CID 164582060 has a molecular weight of 391.44 g/mol, XLogP of 1.63, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for CID 164582060 is sourced from PubChem (CID 164582060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).