3-[[5-[4-[[2-[4-[(6-chloro-7-oxo-8-propan-2-ylpyrido[2,3-d]pyrimidin-2-yl)amino]-3-methylphenyl]sulfonyl-7-azaspiro[3.5]nonan-7-yl]methyl]piperidin-1-yl]imidazo[1,2-a]pyridin-8-yl]amino]piperidine-2,6-dione

C43H51ClN10O5S — CID 170952685

About 3-[[5-[4-[[2-[4-[(6-chloro-7-oxo-8-propan-2-ylpyrido[2,3-d]pyrimidin-2-yl)amino]-3-methylphenyl]sulfonyl-7-azaspiro[3.5]nonan-7-yl]methyl]piperidin-1-yl]imidazo[1,2-a]pyridin-8-yl]amino]piperidine-2,6-dione

3-[[5-[4-[[2-[4-[(6-chloro-7-oxo-8-propan-2-ylpyrido[2,3-d]pyrimidin-2-yl)amino]-3-methylphenyl]sulfonyl-7-azaspiro[3.5]nonan-7-yl]methyl]piperidin-1-yl]imidazo[1,2-a]pyridin-8-yl]amino]piperidine-2,6-dione (PubChem CID 170952685) has the molecular formula C43H51ClN10O5S and a molecular weight of 855.47 g/mol. Its IUPAC name is 3-[[5-[4-[[2-[4-[(6-chloro-7-oxo-8-propan-2-ylpyrido[2,3-d]pyrimidin-2-yl)amino]-3-methylphenyl]sulfonyl-7-azaspiro[3.5]nonan-7-yl]methyl]piperidin-1-yl]imidazo[1,2-a]pyridin-8-yl]amino]piperidine-2,6-dione.

Molecular Properties

• Compound Name: 3-[[5-[4-[[2-[4-[(6-chloro-7-oxo-8-propan-2-ylpyrido[2,3-d]pyrimidin-2-yl)amino]-3-methylphenyl]sulfonyl-7-azaspiro[3.5]nonan-7-yl]methyl]piperidin-1-yl]imidazo[1,2-a]pyridin-8-yl]amino]piperidine-2,6-dione
• PubChem CID: 170952685
• Molecular Formula: C43H51ClN10O5S
• Molecular Weight: 855.47 g/mol
• Exact Mass: 854.35
• IUPAC Name: 3-[[5-[4-[[2-[4-[(6-chloro-7-oxo-8-propan-2-ylpyrido[2,3-d]pyrimidin-2-yl)amino]-3-methylphenyl]sulfonyl-7-azaspiro[3.5]nonan-7-yl]methyl]piperidin-1-yl]imidazo[1,2-a]pyridin-8-yl]amino]piperidine-2,6-dione
• SMILES: Cc1cc(S(=O)(=O)C2CC3(CCN(CC4CCN(c5ccc(NC6CCC(=O)NC6=O)c6nccn56)CC4)CC3)C2)ccc1Nc1ncc2cc(Cl)c(=O)n(C(C)C)c2n1
• InChI: InChI=1S/C43H51ClN10O5S/c1-26(2)54-38-29(21-32(44)41(54)57)24-46-42(50-38)48-33-5-4-30(20-27(33)3)60(58,59)31-22-43(23-31)12-17-51(18-13-43)25-28-10-15-52(16-11-28)37-9-7-34(39-45-14-19-53(37)39)47-35-6-8-36(55)49-40(35)56/h4-5,7,9,14,19-21,24,26,28,31,35,47H,6,8,10-13,15-18,22-23,25H2,1-3H3,(H,46,48,50)(H,49,55,56)
• InChIKey: ASDAUAFCNSLPKI-UHFFFAOYSA-N
• XLogP: 5.88
• TPSA: 175.93 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 14
• Rotatable Bonds: 10
• Heavy Atoms: 60
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	855.47
LogP ≤ 5	5.88
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	14

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3-[[5-[4-[[2-[4-[(6-chloro-7-oxo-8-propan-2-ylpyrido[2,3-d]pyrimidin-2-yl)amino]-3-methylphenyl]sulfonyl-7-azaspiro[3.5]nonan-7-yl]methyl]piperidin-1-yl]imidazo[1,2-a]pyridin-8-yl]amino]piperidine-2,6-dione?

The IUPAC name of 3-[[5-[4-[[2-[4-[(6-chloro-7-oxo-8-propan-2-ylpyrido[2,3-d]pyrimidin-2-yl)amino]-3-methylphenyl]sulfonyl-7-azaspiro[3.5]nonan-7-yl]methyl]piperidin-1-yl]imidazo[1,2-a]pyridin-8-yl]amino]piperidine-2,6-dione (CID 170952685) is 3-[[5-[4-[[2-[4-[(6-chloro-7-oxo-8-propan-2-ylpyrido[2,3-d]pyrimidin-2-yl)amino]-3-methylphenyl]sulfonyl-7-azaspiro[3.5]nonan-7-yl]methyl]piperidin-1-yl]imidazo[1,2-a]pyridin-8-yl]amino]piperidine-2,6-dione.

What is the SMILES notation for 3-[[5-[4-[[2-[4-[(6-chloro-7-oxo-8-propan-2-ylpyrido[2,3-d]pyrimidin-2-yl)amino]-3-methylphenyl]sulfonyl-7-azaspiro[3.5]nonan-7-yl]methyl]piperidin-1-yl]imidazo[1,2-a]pyridin-8-yl]amino]piperidine-2,6-dione?

The canonical SMILES for 3-[[5-[4-[[2-[4-[(6-chloro-7-oxo-8-propan-2-ylpyrido[2,3-d]pyrimidin-2-yl)amino]-3-methylphenyl]sulfonyl-7-azaspiro[3.5]nonan-7-yl]methyl]piperidin-1-yl]imidazo[1,2-a]pyridin-8-yl]amino]piperidine-2,6-dione is Cc1cc(S(=O)(=O)C2CC3(CCN(CC4CCN(c5ccc(NC6CCC(=O)NC6=O)c6nccn56)CC4)CC3)C2)ccc1Nc1ncc2cc(Cl)c(=O)n(C(C)C)c2n1.

What is the InChIKey of 3-[[5-[4-[[2-[4-[(6-chloro-7-oxo-8-propan-2-ylpyrido[2,3-d]pyrimidin-2-yl)amino]-3-methylphenyl]sulfonyl-7-azaspiro[3.5]nonan-7-yl]methyl]piperidin-1-yl]imidazo[1,2-a]pyridin-8-yl]amino]piperidine-2,6-dione?

The InChIKey is ASDAUAFCNSLPKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H51ClN10O5S/c1-26(2)54-38-29(21-32(44)41(54)57)24-46-42(50-38)48-33-5-4-30(20-27(33)3)60(58,59)31-22-43(23-31)12-17-51(18-13-43)25-28-10-15-52(16-11-28)37-9-7-34(39-45-14-19-53(37)39)47-35-6-8-36(55)49-40(35)56/h4-5,7,9,14,19-21,24,26,28,31,35,47H,6,8,10-13,15-18,22-23,25H2,1-3H3,(H,46,48,50)(H,49,55,56).

What are the key properties of 3-[[5-[4-[[2-[4-[(6-chloro-7-oxo-8-propan-2-ylpyrido[2,3-d]pyrimidin-2-yl)amino]-3-methylphenyl]sulfonyl-7-azaspiro[3.5]nonan-7-yl]methyl]piperidin-1-yl]imidazo[1,2-a]pyridin-8-yl]amino]piperidine-2,6-dione?

3-[[5-[4-[[2-[4-[(6-chloro-7-oxo-8-propan-2-ylpyrido[2,3-d]pyrimidin-2-yl)amino]-3-methylphenyl]sulfonyl-7-azaspiro[3.5]nonan-7-yl]methyl]piperidin-1-yl]imidazo[1,2-a]pyridin-8-yl]amino]piperidine-2,6-dione has a molecular weight of 855.47 g/mol, XLogP of 5.88, 10 rotatable bonds, 3 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[[5-[4-[[2-[4-[(6-chloro-7-oxo-8-propan-2-ylpyrido[2,3-d]pyrimidin-2-yl)amino]-3-methylphenyl]sulfonyl-7-azaspiro[3.5]nonan-7-yl]methyl]piperidin-1-yl]imidazo[1,2-a]pyridin-8-yl]amino]piperidine-2,6-dione is sourced from PubChem (CID 170952685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).