CID 67979595

C24H25F3N4O — CID 67979595

IUPAC—
SMILESCOC1CCC2(CC1)Cc1ccc(-c3cncc(C(F)(F)F)c3)cc1[C@@]21N=C(C)C(N)=N1
InChIInChI=1S/C24H25F3N4O/c1-14-21(28)31-23(30-14)20-10-15(17-9-18(13-29-12-17)24(25,26)27)3-4-16(20)11-22(23)7-5-19(32-2)6-8-22/h3-4,9-10,12-13,19H,5-8,11H2,1-2H3,(H2,28,31)/t19?,22?,23-/m0/s1
InChIKeyCIGIICMKOOPQKH-HXJXPZHGSA-N
MW442.49 g/mol
LogP4.88
Rot. Bonds2

About CID 67979595

CID 67979595 (PubChem CID 67979595) has the molecular formula C24H25F3N4O and a molecular weight of 442.49 g/mol.

Molecular Properties

Compound NameCID 67979595
PubChem CID67979595
Molecular FormulaC24H25F3N4O
Molecular Weight442.49 g/mol
Exact Mass442.20
IUPAC Name—
SMILESCOC1CCC2(CC1)Cc1ccc(-c3cncc(C(F)(F)F)c3)cc1[C@@]21N=C(C)C(N)=N1
InChIInChI=1S/C24H25F3N4O/c1-14-21(28)31-23(30-14)20-10-15(17-9-18(13-29-12-17)24(25,26)27)3-4-16(20)11-22(23)7-5-19(32-2)6-8-22/h3-4,9-10,12-13,19H,5-8,11H2,1-2H3,(H2,28,31)/t19?,22?,23-/m0/s1
InChIKeyCIGIICMKOOPQKH-HXJXPZHGSA-N
XLogP4.88
TPSA72.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.49
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze CID 67979595 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 67979595?
The IUPAC name of CID 67979595 (CID 67979595) is not available.
What is the SMILES notation for CID 67979595?
The canonical SMILES for CID 67979595 is COC1CCC2(CC1)Cc1ccc(-c3cncc(C(F)(F)F)c3)cc1[C@@]21N=C(C)C(N)=N1.
What is the InChIKey of CID 67979595?
The InChIKey is CIGIICMKOOPQKH-HXJXPZHGSA-N. The full InChI is InChI=1S/C24H25F3N4O/c1-14-21(28)31-23(30-14)20-10-15(17-9-18(13-29-12-17)24(25,26)27)3-4-16(20)11-22(23)7-5-19(32-2)6-8-22/h3-4,9-10,12-13,19H,5-8,11H2,1-2H3,(H2,28,31)/t19?,22?,23-/m0/s1.
What are the key properties of CID 67979595?
CID 67979595 has a molecular weight of 442.49 g/mol, XLogP of 4.88, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for CID 67979595 is sourced from PubChem (CID 67979595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).