CID 58197080

C19H23F4N3O3 — CID 58197080

IUPAC—
SMILESCOC1CCC2(CC1)Cc1cc(F)c(OCC(F)(F)F)cc1C21N=C(N)N(C)O1
InChIInChI=1S/C19H23F4N3O3/c1-26-16(24)25-19(29-26)13-8-15(28-10-18(21,22)23)14(20)7-11(13)9-17(19)5-3-12(27-2)4-6-17/h7-8,12H,3-6,9-10H2,1-2H3,(H2,24,25)
InChIKeyNXEAKTXISQETQH-UHFFFAOYSA-N
MW417.40 g/mol
LogP3.24
Rot. Bonds3

About CID 58197080

CID 58197080 (PubChem CID 58197080) has the molecular formula C19H23F4N3O3 and a molecular weight of 417.40 g/mol.

Molecular Properties

Compound NameCID 58197080
PubChem CID58197080
Molecular FormulaC19H23F4N3O3
Molecular Weight417.40 g/mol
Exact Mass417.17
IUPAC Name—
SMILESCOC1CCC2(CC1)Cc1cc(F)c(OCC(F)(F)F)cc1C21N=C(N)N(C)O1
InChIInChI=1S/C19H23F4N3O3/c1-26-16(24)25-19(29-26)13-8-15(28-10-18(21,22)23)14(20)7-11(13)9-17(19)5-3-12(27-2)4-6-17/h7-8,12H,3-6,9-10H2,1-2H3,(H2,24,25)
InChIKeyNXEAKTXISQETQH-UHFFFAOYSA-N
XLogP3.24
TPSA69.31 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.40
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze CID 58197080 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 58197080?
The IUPAC name of CID 58197080 (CID 58197080) is not available.
What is the SMILES notation for CID 58197080?
The canonical SMILES for CID 58197080 is COC1CCC2(CC1)Cc1cc(F)c(OCC(F)(F)F)cc1C21N=C(N)N(C)O1.
What is the InChIKey of CID 58197080?
The InChIKey is NXEAKTXISQETQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23F4N3O3/c1-26-16(24)25-19(29-26)13-8-15(28-10-18(21,22)23)14(20)7-11(13)9-17(19)5-3-12(27-2)4-6-17/h7-8,12H,3-6,9-10H2,1-2H3,(H2,24,25).
What are the key properties of CID 58197080?
CID 58197080 has a molecular weight of 417.40 g/mol, XLogP of 3.24, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for CID 58197080 is sourced from PubChem (CID 58197080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).