CID 67979593

C24H25F2N3O — CID 67979593

IUPAC—
SMILESCOC1CCC2(CC1)Cc1ccc(-c3cc(F)cc(F)c3)cc1[C@@]21N=C(C)C(N)=N1
InChIInChI=1S/C24H25F2N3O/c1-14-22(27)29-24(28-14)21-11-15(17-9-18(25)12-19(26)10-17)3-4-16(21)13-23(24)7-5-20(30-2)6-8-23/h3-4,9-12,20H,5-8,13H2,1-2H3,(H2,27,29)/t20?,23?,24-/m0/s1
InChIKeyHRDQJFPXQGWLSV-BOYUCYPVSA-N
MW409.48 g/mol
LogP4.75
Rot. Bonds2

About CID 67979593

CID 67979593 (PubChem CID 67979593) has the molecular formula C24H25F2N3O and a molecular weight of 409.48 g/mol.

Molecular Properties

Compound NameCID 67979593
PubChem CID67979593
Molecular FormulaC24H25F2N3O
Molecular Weight409.48 g/mol
Exact Mass409.20
IUPAC Name—
SMILESCOC1CCC2(CC1)Cc1ccc(-c3cc(F)cc(F)c3)cc1[C@@]21N=C(C)C(N)=N1
InChIInChI=1S/C24H25F2N3O/c1-14-22(27)29-24(28-14)21-11-15(17-9-18(25)12-19(26)10-17)3-4-16(21)13-23(24)7-5-20(30-2)6-8-23/h3-4,9-12,20H,5-8,13H2,1-2H3,(H2,27,29)/t20?,23?,24-/m0/s1
InChIKeyHRDQJFPXQGWLSV-BOYUCYPVSA-N
XLogP4.75
TPSA59.97 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.48
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

CID 67979574
CID 67979574
7'-(3,5-Difluorophenyl)-5''-methyl-3',4'-dihydrodispiro[cyclopropane-1,2'-naphthalene-1',2''-imidazol]-4''-amine
CID 72714744
CID 72705048
CID 72705048
CID 147085200
CID 147085200
5'-Fluoro-6'-(3-fluoropropoxy)-4-methoxy-5''-methyl-3'H-dispiro[cyclohexane-1,2'-indene-1',2''-imidazol]-4''-amine
CID 72705236
CID 67979498
CID 67979498
CID 90287662
CID 90287662
CID 57386920
CID 57386920
CID 159452395
CID 159452395
CID 149210100
CID 149210100
6'-(5-Chloropyridin-3-yl)-4,4-difluoro-5''-methyl-3'H-dispiro[cyclo hexane-1,2'-indene-1',2''-imidazol]-4''-amine
CID 57386149
CID 158314859
CID 158314859

Frequently Asked Questions

What is the IUPAC name of CID 67979593?
The IUPAC name of CID 67979593 (CID 67979593) is not available.
What is the SMILES notation for CID 67979593?
The canonical SMILES for CID 67979593 is COC1CCC2(CC1)Cc1ccc(-c3cc(F)cc(F)c3)cc1[C@@]21N=C(C)C(N)=N1.
What is the InChIKey of CID 67979593?
The InChIKey is HRDQJFPXQGWLSV-BOYUCYPVSA-N. The full InChI is InChI=1S/C24H25F2N3O/c1-14-22(27)29-24(28-14)21-11-15(17-9-18(25)12-19(26)10-17)3-4-16(21)13-23(24)7-5-20(30-2)6-8-23/h3-4,9-12,20H,5-8,13H2,1-2H3,(H2,27,29)/t20?,23?,24-/m0/s1.
What are the key properties of CID 67979593?
CID 67979593 has a molecular weight of 409.48 g/mol, XLogP of 4.75, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 67979593 is sourced from PubChem (CID 67979593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).