6-[[6-(3-aminoazetidine-1-carbonyl)thieno[2,3-d]pyrimidin-4-yl]amino]-8-methylspiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione

C23H25N7O3S — CID 135259176

About 6-[[6-(3-aminoazetidine-1-carbonyl)thieno[2,3-d]pyrimidin-4-yl]amino]-8-methylspiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione

6-[[6-(3-aminoazetidine-1-carbonyl)thieno[2,3-d]pyrimidin-4-yl]amino]-8-methylspiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione (PubChem CID 135259176) has the molecular formula C23H25N7O3S and a molecular weight of 479.57 g/mol. Its IUPAC name is 6-[[6-(3-aminoazetidine-1-carbonyl)thieno[2,3-d]pyrimidin-4-yl]amino]-8-methylspiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione.

Molecular Properties

• Compound Name: 6-[[6-(3-aminoazetidine-1-carbonyl)thieno[2,3-d]pyrimidin-4-yl]amino]-8-methylspiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione
• PubChem CID: 135259176
• Molecular Formula: C23H25N7O3S
• Molecular Weight: 479.57 g/mol
• Exact Mass: 479.17
• IUPAC Name: 6-[[6-(3-aminoazetidine-1-carbonyl)thieno[2,3-d]pyrimidin-4-yl]amino]-8-methylspiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione
• SMILES: Cc1cc(Nc2ncnc3sc(C(=O)N4CC(N)C4)cc23)c(=O)n2c1C(=O)NC21CCCCC1
• InChI: InChI=1S/C23H25N7O3S/c1-12-7-15(21(32)30-17(12)19(31)28-23(30)5-3-2-4-6-23)27-18-14-8-16(34-20(14)26-11-25-18)22(33)29-9-13(24)10-29/h7-8,11,13H,2-6,9-10,24H2,1H3,(H,28,31)(H,25,26,27)
• InChIKey: XFEFHVZCXJMXGZ-UHFFFAOYSA-N
• XLogP: 2.05
• TPSA: 135.24 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 9
• Rotatable Bonds: 3
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	479.57
LogP ≤ 5	2.05
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 6-[[6-(3-aminoazetidine-1-carbonyl)thieno[2,3-d]pyrimidin-4-yl]amino]-8-methylspiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione?

The IUPAC name of 6-[[6-(3-aminoazetidine-1-carbonyl)thieno[2,3-d]pyrimidin-4-yl]amino]-8-methylspiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione (CID 135259176) is 6-[[6-(3-aminoazetidine-1-carbonyl)thieno[2,3-d]pyrimidin-4-yl]amino]-8-methylspiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione.

What is the SMILES notation for 6-[[6-(3-aminoazetidine-1-carbonyl)thieno[2,3-d]pyrimidin-4-yl]amino]-8-methylspiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione?

The canonical SMILES for 6-[[6-(3-aminoazetidine-1-carbonyl)thieno[2,3-d]pyrimidin-4-yl]amino]-8-methylspiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione is Cc1cc(Nc2ncnc3sc(C(=O)N4CC(N)C4)cc23)c(=O)n2c1C(=O)NC21CCCCC1.

What is the InChIKey of 6-[[6-(3-aminoazetidine-1-carbonyl)thieno[2,3-d]pyrimidin-4-yl]amino]-8-methylspiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione?

The InChIKey is XFEFHVZCXJMXGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N7O3S/c1-12-7-15(21(32)30-17(12)19(31)28-23(30)5-3-2-4-6-23)27-18-14-8-16(34-20(14)26-11-25-18)22(33)29-9-13(24)10-29/h7-8,11,13H,2-6,9-10,24H2,1H3,(H,28,31)(H,25,26,27).

What are the key properties of 6-[[6-(3-aminoazetidine-1-carbonyl)thieno[2,3-d]pyrimidin-4-yl]amino]-8-methylspiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione?

6-[[6-(3-aminoazetidine-1-carbonyl)thieno[2,3-d]pyrimidin-4-yl]amino]-8-methylspiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione has a molecular weight of 479.57 g/mol, XLogP of 2.05, 3 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[[6-(3-aminoazetidine-1-carbonyl)thieno[2,3-d]pyrimidin-4-yl]amino]-8-methylspiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione is sourced from PubChem (CID 135259176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).