CID 58197656

C23H25ClFN3O2 — CID 58197656

IUPAC—
SMILESCOC1CCC2(CC1)Cc1ccc(-c3ccc(F)c(Cl)c3)cc1C21N=C(N)N(C)O1
InChIInChI=1S/C23H25ClFN3O2/c1-28-21(26)27-23(30-28)18-11-14(15-5-6-20(25)19(24)12-15)3-4-16(18)13-22(23)9-7-17(29-2)8-10-22/h3-6,11-12,17H,7-10,13H2,1-2H3,(H2,26,27)
InChIKeyOVNPMAGYRQDZCZ-UHFFFAOYSA-N
MW429.92 g/mol
LogP4.62
Rot. Bonds2

About CID 58197656

CID 58197656 (PubChem CID 58197656) has the molecular formula C23H25ClFN3O2 and a molecular weight of 429.92 g/mol.

Molecular Properties

Compound NameCID 58197656
PubChem CID58197656
Molecular FormulaC23H25ClFN3O2
Molecular Weight429.92 g/mol
Exact Mass429.16
IUPAC Name—
SMILESCOC1CCC2(CC1)Cc1ccc(-c3ccc(F)c(Cl)c3)cc1C21N=C(N)N(C)O1
InChIInChI=1S/C23H25ClFN3O2/c1-28-21(26)27-23(30-28)18-11-14(15-5-6-20(25)19(24)12-15)3-4-16(18)13-22(23)9-7-17(29-2)8-10-22/h3-6,11-12,17H,7-10,13H2,1-2H3,(H2,26,27)
InChIKeyOVNPMAGYRQDZCZ-UHFFFAOYSA-N
XLogP4.62
TPSA60.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.92
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of CID 58197656?
The IUPAC name of CID 58197656 (CID 58197656) is not available.
What is the SMILES notation for CID 58197656?
The canonical SMILES for CID 58197656 is COC1CCC2(CC1)Cc1ccc(-c3ccc(F)c(Cl)c3)cc1C21N=C(N)N(C)O1.
What is the InChIKey of CID 58197656?
The InChIKey is OVNPMAGYRQDZCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25ClFN3O2/c1-28-21(26)27-23(30-28)18-11-14(15-5-6-20(25)19(24)12-15)3-4-16(18)13-22(23)9-7-17(29-2)8-10-22/h3-6,11-12,17H,7-10,13H2,1-2H3,(H2,26,27).
What are the key properties of CID 58197656?
CID 58197656 has a molecular weight of 429.92 g/mol, XLogP of 4.62, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for CID 58197656 is sourced from PubChem (CID 58197656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).