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

C24H23N7O3S — CID 146257754

IUPAC1-[4-[(8-methyl-1,5-dioxospiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-6-yl)amino]thieno[2,3-d]pyrimidine-6-carbonyl]azetidine-3-carbonitrile
SMILESCc1cc(Nc2ncnc3sc(C(=O)N4CC(C#N)C4)cc23)c(=O)n2c1C(=O)NC21CCCCC1
InChIInChI=1S/C24H23N7O3S/c1-13-7-16(22(33)31-18(13)20(32)29-24(31)5-3-2-4-6-24)28-19-15-8-17(35-21(15)27-12-26-19)23(34)30-10-14(9-25)11-30/h7-8,12,14H,2-6,10-11H2,1H3,(H,29,32)(H,26,27,28)
InChIKeyGXRTUTYGJYEEKW-UHFFFAOYSA-N
MW489.56 g/mol
LogP2.86
Rot. Bonds3

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

1-[4-[(8-methyl-1,5-dioxospiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-6-yl)amino]thieno[2,3-d]pyrimidine-6-carbonyl]azetidine-3-carbonitrile (PubChem CID 146257754) has the molecular formula C24H23N7O3S and a molecular weight of 489.56 g/mol. Its IUPAC name is 1-[4-[(8-methyl-1,5-dioxospiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-6-yl)amino]thieno[2,3-d]pyrimidine-6-carbonyl]azetidine-3-carbonitrile.

Molecular Properties

Compound Name1-[4-[(8-methyl-1,5-dioxospiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-6-yl)amino]thieno[2,3-d]pyrimidine-6-carbonyl]azetidine-3-carbonitrile
PubChem CID146257754
Molecular FormulaC24H23N7O3S
Molecular Weight489.56 g/mol
Exact Mass489.16
IUPAC Name1-[4-[(8-methyl-1,5-dioxospiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-6-yl)amino]thieno[2,3-d]pyrimidine-6-carbonyl]azetidine-3-carbonitrile
SMILESCc1cc(Nc2ncnc3sc(C(=O)N4CC(C#N)C4)cc23)c(=O)n2c1C(=O)NC21CCCCC1
InChIInChI=1S/C24H23N7O3S/c1-13-7-16(22(33)31-18(13)20(32)29-24(31)5-3-2-4-6-24)28-19-15-8-17(35-21(15)27-12-26-19)23(34)30-10-14(9-25)11-30/h7-8,12,14H,2-6,10-11H2,1H3,(H,29,32)(H,26,27,28)
InChIKeyGXRTUTYGJYEEKW-UHFFFAOYSA-N
XLogP2.86
TPSA133.01 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.56
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 1-[4-[(8-methyl-1,5-dioxospiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-6-yl)amino]thieno[2,3-d]pyrimidine-6-carbonyl]azetidine-3-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[[1-(2-Methoxyethyl)-5-methyl-2-oxo-3-pyridinyl]amino]-5-methylthieno[2,3-d]pyrimidine-6-carboxamide
CID 118734660
US11311520, Example 81
CID 135259000
US11311520, Example 82
CID 135259217
US11311520, Example 83
CID 135259218
US11311520, Example 87
CID 135259223
US11311520, Example 86
CID 135259225
US11311520, Example 129
CID 142402547
US11311520, Example 85
CID 142402595
US11311520, Example 80
CID 142402624
US11311520, Example 84
CID 146257731
US11311520, Example 28
CID 135259176
4-[(1,5-dimethyl-2-oxo-3-pyridinyl)amino]-N,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide
CID 118734656

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(8-methyl-1,5-dioxospiro[2H-imidazo[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-[(8-methyl-1,5-dioxospiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-6-yl)amino]thieno[2,3-d]pyrimidine-6-carbonyl]azetidine-3-carbonitrile (CID 146257754) is 1-[4-[(8-methyl-1,5-dioxospiro[2H-imidazo[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-[(8-methyl-1,5-dioxospiro[2H-imidazo[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-[(8-methyl-1,5-dioxospiro[2H-imidazo[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)n2c1C(=O)NC21CCCCC1.
What is the InChIKey of 1-[4-[(8-methyl-1,5-dioxospiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-6-yl)amino]thieno[2,3-d]pyrimidine-6-carbonyl]azetidine-3-carbonitrile?
The InChIKey is GXRTUTYGJYEEKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N7O3S/c1-13-7-16(22(33)31-18(13)20(32)29-24(31)5-3-2-4-6-24)28-19-15-8-17(35-21(15)27-12-26-19)23(34)30-10-14(9-25)11-30/h7-8,12,14H,2-6,10-11H2,1H3,(H,29,32)(H,26,27,28).
What are the key properties of 1-[4-[(8-methyl-1,5-dioxospiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-6-yl)amino]thieno[2,3-d]pyrimidine-6-carbonyl]azetidine-3-carbonitrile?
1-[4-[(8-methyl-1,5-dioxospiro[2H-imidazo[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 489.56 g/mol, XLogP of 2.86, 3 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(8-methyl-1,5-dioxospiro[2H-imidazo[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 146257754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).