CID 72705048

C23H24ClFN4O — CID 72705048

IUPAC—
SMILESCOC1CCC2(CC1)Cc1cc(F)c(-c3cncc(Cl)c3)cc1C21N=C(C)C(N)=N1
InChIInChI=1S/C23H24ClFN4O/c1-13-21(26)29-23(28-13)19-9-18(15-7-16(24)12-27-11-15)20(25)8-14(19)10-22(23)5-3-17(30-2)4-6-22/h7-9,11-12,17H,3-6,10H2,1-2H3,(H2,26,29)
InChIKeyRZBPWVNRIHVDBR-UHFFFAOYSA-N
MW426.92 g/mol
LogP4.66
Rot. Bonds2

About CID 72705048

CID 72705048 (PubChem CID 72705048) has the molecular formula C23H24ClFN4O and a molecular weight of 426.92 g/mol.

Molecular Properties

Compound NameCID 72705048
PubChem CID72705048
Molecular FormulaC23H24ClFN4O
Molecular Weight426.92 g/mol
Exact Mass426.16
IUPAC Name—
SMILESCOC1CCC2(CC1)Cc1cc(F)c(-c3cncc(Cl)c3)cc1C21N=C(C)C(N)=N1
InChIInChI=1S/C23H24ClFN4O/c1-13-21(26)29-23(28-13)19-9-18(15-7-16(24)12-27-11-15)20(25)8-14(19)10-22(23)5-3-17(30-2)4-6-22/h7-9,11-12,17H,3-6,10H2,1-2H3,(H2,26,29)
InChIKeyRZBPWVNRIHVDBR-UHFFFAOYSA-N
XLogP4.66
TPSA72.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.92
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of CID 72705048?
The IUPAC name of CID 72705048 (CID 72705048) is not available.
What is the SMILES notation for CID 72705048?
The canonical SMILES for CID 72705048 is COC1CCC2(CC1)Cc1cc(F)c(-c3cncc(Cl)c3)cc1C21N=C(C)C(N)=N1.
What is the InChIKey of CID 72705048?
The InChIKey is RZBPWVNRIHVDBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24ClFN4O/c1-13-21(26)29-23(28-13)19-9-18(15-7-16(24)12-27-11-15)20(25)8-14(19)10-22(23)5-3-17(30-2)4-6-22/h7-9,11-12,17H,3-6,10H2,1-2H3,(H2,26,29).
What are the key properties of CID 72705048?
CID 72705048 has a molecular weight of 426.92 g/mol, XLogP of 4.66, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for CID 72705048 is sourced from PubChem (CID 72705048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).