1-[4-[(4',4'-difluoro-8-methyl-5-oxospiro[1,2-dihydroimidazo[1,5-a]pyridine-3,1'-cyclohexane]-6-yl)amino]thieno[2,3-d]pyrimidine-6-carbonyl]azetidine-3-carbonitrile

C24H23F2N7O2S — CID 146262133

About 1-[4-[(4',4'-difluoro-8-methyl-5-oxospiro[1,2-dihydroimidazo[1,5-a]pyridine-3,1'-cyclohexane]-6-yl)amino]thieno[2,3-d]pyrimidine-6-carbonyl]azetidine-3-carbonitrile

1-[4-[(4',4'-difluoro-8-methyl-5-oxospiro[1,2-dihydroimidazo[1,5-a]pyridine-3,1'-cyclohexane]-6-yl)amino]thieno[2,3-d]pyrimidine-6-carbonyl]azetidine-3-carbonitrile (PubChem CID 146262133) has the molecular formula C24H23F2N7O2S and a molecular weight of 511.56 g/mol. Its IUPAC name is 1-[4-[(4',4'-difluoro-8-methyl-5-oxospiro[1,2-dihydroimidazo[1,5-a]pyridine-3,1'-cyclohexane]-6-yl)amino]thieno[2,3-d]pyrimidine-6-carbonyl]azetidine-3-carbonitrile.

Molecular Properties

• Compound Name: 1-[4-[(4',4'-difluoro-8-methyl-5-oxospiro[1,2-dihydroimidazo[1,5-a]pyridine-3,1'-cyclohexane]-6-yl)amino]thieno[2,3-d]pyrimidine-6-carbonyl]azetidine-3-carbonitrile
• PubChem CID: 146262133
• Molecular Formula: C24H23F2N7O2S
• Molecular Weight: 511.56 g/mol
• Exact Mass: 511.16
• IUPAC Name: 1-[4-[(4',4'-difluoro-8-methyl-5-oxospiro[1,2-dihydroimidazo[1,5-a]pyridine-3,1'-cyclohexane]-6-yl)amino]thieno[2,3-d]pyrimidine-6-carbonyl]azetidine-3-carbonitrile
• SMILES: Cc1cc(Nc2ncnc3sc(C(=O)N4CC(C#N)C4)cc23)c(=O)n2c1CNC21CCC(F)(F)CC1
• InChI: InChI=1S/C24H23F2N7O2S/c1-13-6-16(21(34)33-17(13)9-30-24(33)4-2-23(25,26)3-5-24)31-19-15-7-18(36-20(15)29-12-28-19)22(35)32-10-14(8-27)11-32/h6-7,12,14,30H,2-5,9-11H2,1H3,(H,28,29,31)
• InChIKey: JUPVHVOZAPZPNA-UHFFFAOYSA-N
• XLogP: 3.47
• TPSA: 115.94 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 3
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	511.56
LogP ≤ 5	3.47
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(4',4'-difluoro-8-methyl-5-oxospiro[1,2-dihydroimidazo[1,5-a]pyridine-3,1'-cyclohexane]-6-yl)amino]thieno[2,3-d]pyrimidine-6-carbonyl]azetidine-3-carbonitrile?

The IUPAC name of 1-[4-[(4',4'-difluoro-8-methyl-5-oxospiro[1,2-dihydroimidazo[1,5-a]pyridine-3,1'-cyclohexane]-6-yl)amino]thieno[2,3-d]pyrimidine-6-carbonyl]azetidine-3-carbonitrile (CID 146262133) is 1-[4-[(4',4'-difluoro-8-methyl-5-oxospiro[1,2-dihydroimidazo[1,5-a]pyridine-3,1'-cyclohexane]-6-yl)amino]thieno[2,3-d]pyrimidine-6-carbonyl]azetidine-3-carbonitrile.

What is the SMILES notation for 1-[4-[(4',4'-difluoro-8-methyl-5-oxospiro[1,2-dihydroimidazo[1,5-a]pyridine-3,1'-cyclohexane]-6-yl)amino]thieno[2,3-d]pyrimidine-6-carbonyl]azetidine-3-carbonitrile?

The canonical SMILES for 1-[4-[(4',4'-difluoro-8-methyl-5-oxospiro[1,2-dihydroimidazo[1,5-a]pyridine-3,1'-cyclohexane]-6-yl)amino]thieno[2,3-d]pyrimidine-6-carbonyl]azetidine-3-carbonitrile is Cc1cc(Nc2ncnc3sc(C(=O)N4CC(C#N)C4)cc23)c(=O)n2c1CNC21CCC(F)(F)CC1.

What is the InChIKey of 1-[4-[(4',4'-difluoro-8-methyl-5-oxospiro[1,2-dihydroimidazo[1,5-a]pyridine-3,1'-cyclohexane]-6-yl)amino]thieno[2,3-d]pyrimidine-6-carbonyl]azetidine-3-carbonitrile?

The InChIKey is JUPVHVOZAPZPNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23F2N7O2S/c1-13-6-16(21(34)33-17(13)9-30-24(33)4-2-23(25,26)3-5-24)31-19-15-7-18(36-20(15)29-12-28-19)22(35)32-10-14(8-27)11-32/h6-7,12,14,30H,2-5,9-11H2,1H3,(H,28,29,31).

What are the key properties of 1-[4-[(4',4'-difluoro-8-methyl-5-oxospiro[1,2-dihydroimidazo[1,5-a]pyridine-3,1'-cyclohexane]-6-yl)amino]thieno[2,3-d]pyrimidine-6-carbonyl]azetidine-3-carbonitrile?

1-[4-[(4',4'-difluoro-8-methyl-5-oxospiro[1,2-dihydroimidazo[1,5-a]pyridine-3,1'-cyclohexane]-6-yl)amino]thieno[2,3-d]pyrimidine-6-carbonyl]azetidine-3-carbonitrile has a molecular weight of 511.56 g/mol, XLogP of 3.47, 3 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[4-[(4',4'-difluoro-8-methyl-5-oxospiro[1,2-dihydroimidazo[1,5-a]pyridine-3,1'-cyclohexane]-6-yl)amino]thieno[2,3-d]pyrimidine-6-carbonyl]azetidine-3-carbonitrile is sourced from PubChem (CID 146262133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).