3-cyclopentyl-5-fluoro-2-[(6S)-5-(7H-purin-6-yl)-5-azaspiro[2.4]heptan-6-yl]quinazolin-4-one

C24H24FN7O — CID 162672563

IUPAC3-cyclopentyl-5-fluoro-2-[(6S)-5-(7H-purin-6-yl)-5-azaspiro[2.4]heptan-6-yl]quinazolin-4-one
SMILESO=c1c2c(F)cccc2nc([C@@H]2CC3(CC3)CN2c2ncnc3nc[nH]c23)n1C1CCCC1
InChIInChI=1S/C24H24FN7O/c25-15-6-3-7-16-18(15)23(33)32(14-4-1-2-5-14)21(30-16)17-10-24(8-9-24)11-31(17)22-19-20(27-12-26-19)28-13-29-22/h3,6-7,12-14,17H,1-2,4-5,8-11H2,(H,26,27,28,29)/t17-/m0/s1
InChIKeyKHZRHNHRJQPGLU-KRWDZBQOSA-N
MW445.50 g/mol
LogP4.05
Rot. Bonds3

About 3-cyclopentyl-5-fluoro-2-[(6S)-5-(7H-purin-6-yl)-5-azaspiro[2.4]heptan-6-yl]quinazolin-4-one

3-cyclopentyl-5-fluoro-2-[(6S)-5-(7H-purin-6-yl)-5-azaspiro[2.4]heptan-6-yl]quinazolin-4-one (PubChem CID 162672563) has the molecular formula C24H24FN7O and a molecular weight of 445.50 g/mol. Its IUPAC name is 3-cyclopentyl-5-fluoro-2-[(6S)-5-(7H-purin-6-yl)-5-azaspiro[2.4]heptan-6-yl]quinazolin-4-one.

Molecular Properties

Compound Name3-cyclopentyl-5-fluoro-2-[(6S)-5-(7H-purin-6-yl)-5-azaspiro[2.4]heptan-6-yl]quinazolin-4-one
PubChem CID162672563
Molecular FormulaC24H24FN7O
Molecular Weight445.50 g/mol
Exact Mass445.20
IUPAC Name3-cyclopentyl-5-fluoro-2-[(6S)-5-(7H-purin-6-yl)-5-azaspiro[2.4]heptan-6-yl]quinazolin-4-one
SMILESO=c1c2c(F)cccc2nc([C@@H]2CC3(CC3)CN2c2ncnc3nc[nH]c23)n1C1CCCC1
InChIInChI=1S/C24H24FN7O/c25-15-6-3-7-16-18(15)23(33)32(14-4-1-2-5-14)21(30-16)17-10-24(8-9-24)11-31(17)22-19-20(27-12-26-19)28-13-29-22/h3,6-7,12-14,17H,1-2,4-5,8-11H2,(H,26,27,28,29)/t17-/m0/s1
InChIKeyKHZRHNHRJQPGLU-KRWDZBQOSA-N
XLogP4.05
TPSA92.59 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.50
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 3-cyclopentyl-5-fluoro-2-[(6S)-5-(7H-purin-6-yl)-5-azaspiro[2.4]heptan-6-yl]quinazolin-4-one 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 3-cyclopentyl-5-fluoro-2-[(6S)-5-(7H-purin-6-yl)-5-azaspiro[2.4]heptan-6-yl]quinazolin-4-one?
The IUPAC name of 3-cyclopentyl-5-fluoro-2-[(6S)-5-(7H-purin-6-yl)-5-azaspiro[2.4]heptan-6-yl]quinazolin-4-one (CID 162672563) is 3-cyclopentyl-5-fluoro-2-[(6S)-5-(7H-purin-6-yl)-5-azaspiro[2.4]heptan-6-yl]quinazolin-4-one.
What is the SMILES notation for 3-cyclopentyl-5-fluoro-2-[(6S)-5-(7H-purin-6-yl)-5-azaspiro[2.4]heptan-6-yl]quinazolin-4-one?
The canonical SMILES for 3-cyclopentyl-5-fluoro-2-[(6S)-5-(7H-purin-6-yl)-5-azaspiro[2.4]heptan-6-yl]quinazolin-4-one is O=c1c2c(F)cccc2nc([C@@H]2CC3(CC3)CN2c2ncnc3nc[nH]c23)n1C1CCCC1.
What is the InChIKey of 3-cyclopentyl-5-fluoro-2-[(6S)-5-(7H-purin-6-yl)-5-azaspiro[2.4]heptan-6-yl]quinazolin-4-one?
The InChIKey is KHZRHNHRJQPGLU-KRWDZBQOSA-N. The full InChI is InChI=1S/C24H24FN7O/c25-15-6-3-7-16-18(15)23(33)32(14-4-1-2-5-14)21(30-16)17-10-24(8-9-24)11-31(17)22-19-20(27-12-26-19)28-13-29-22/h3,6-7,12-14,17H,1-2,4-5,8-11H2,(H,26,27,28,29)/t17-/m0/s1.
What are the key properties of 3-cyclopentyl-5-fluoro-2-[(6S)-5-(7H-purin-6-yl)-5-azaspiro[2.4]heptan-6-yl]quinazolin-4-one?
3-cyclopentyl-5-fluoro-2-[(6S)-5-(7H-purin-6-yl)-5-azaspiro[2.4]heptan-6-yl]quinazolin-4-one has a molecular weight of 445.50 g/mol, XLogP of 4.05, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentyl-5-fluoro-2-[(6S)-5-(7H-purin-6-yl)-5-azaspiro[2.4]heptan-6-yl]quinazolin-4-one is sourced from PubChem (CID 162672563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).