N-[2-[[2-[[1-[2-[4-[[5,7-dimethyl-4-(2-methylsulfonylethylamino)pyrido[2,3-d]pyrimidin-2-yl]amino]piperidin-1-yl]ethyl]piperidin-4-yl]amino]-5,7-dimethylpyrido[2,3-d]pyrimidin-4-yl]amino]ethyl]acetamide

C37H55N13O3S — CID 176671520

About N-[2-[[2-[[1-[2-[4-[[5,7-dimethyl-4-(2-methylsulfonylethylamino)pyrido[2,3-d]pyrimidin-2-yl]amino]piperidin-1-yl]ethyl]piperidin-4-yl]amino]-5,7-dimethylpyrido[2,3-d]pyrimidin-4-yl]amino]ethyl]acetamide

N-[2-[[2-[[1-[2-[4-[[5,7-dimethyl-4-(2-methylsulfonylethylamino)pyrido[2,3-d]pyrimidin-2-yl]amino]piperidin-1-yl]ethyl]piperidin-4-yl]amino]-5,7-dimethylpyrido[2,3-d]pyrimidin-4-yl]amino]ethyl]acetamide (PubChem CID 176671520) has the molecular formula C37H55N13O3S and a molecular weight of 762.00 g/mol. Its IUPAC name is N-[2-[[2-[[1-[2-[4-[[5,7-dimethyl-4-(2-methylsulfonylethylamino)pyrido[2,3-d]pyrimidin-2-yl]amino]piperidin-1-yl]ethyl]piperidin-4-yl]amino]-5,7-dimethylpyrido[2,3-d]pyrimidin-4-yl]amino]ethyl]acetamide.

Molecular Properties

• Compound Name: N-[2-[[2-[[1-[2-[4-[[5,7-dimethyl-4-(2-methylsulfonylethylamino)pyrido[2,3-d]pyrimidin-2-yl]amino]piperidin-1-yl]ethyl]piperidin-4-yl]amino]-5,7-dimethylpyrido[2,3-d]pyrimidin-4-yl]amino]ethyl]acetamide
• PubChem CID: 176671520
• Molecular Formula: C37H55N13O3S
• Molecular Weight: 762.00 g/mol
• Exact Mass: 761.43
• IUPAC Name: N-[2-[[2-[[1-[2-[4-[[5,7-dimethyl-4-(2-methylsulfonylethylamino)pyrido[2,3-d]pyrimidin-2-yl]amino]piperidin-1-yl]ethyl]piperidin-4-yl]amino]-5,7-dimethylpyrido[2,3-d]pyrimidin-4-yl]amino]ethyl]acetamide
• SMILES: CC(=O)NCCNc1nc(NC2CCN(CCN3CCC(Nc4nc(NCCS(C)(=O)=O)c5c(C)cc(C)nc5n4)CC3)CC2)nc2nc(C)cc(C)c12
• InChI: InChI=1S/C37H55N13O3S/c1-23-21-25(3)41-34-30(23)32(39-12-11-38-27(5)51)45-36(47-34)43-28-7-14-49(15-8-28)18-19-50-16-9-29(10-17-50)44-37-46-33(40-13-20-54(6,52)53)31-24(2)22-26(4)42-35(31)48-37/h21-22,28-29H,7-20H2,1-6H3,(H,38,51)(H2,39,41,43,45,47)(H2,40,42,44,46,48)
• InChIKey: FDJDOYGIHVNJFS-UHFFFAOYSA-N
• XLogP: 3.05
• TPSA: 195.18 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 15
• Rotatable Bonds: 15
• Heavy Atoms: 54
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	762.00
LogP ≤ 5	3.05
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	15

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[2-[[2-[[1-[2-[4-[[5,7-dimethyl-4-(2-methylsulfonylethylamino)pyrido[2,3-d]pyrimidin-2-yl]amino]piperidin-1-yl]ethyl]piperidin-4-yl]amino]-5,7-dimethylpyrido[2,3-d]pyrimidin-4-yl]amino]ethyl]acetamide?

The IUPAC name of N-[2-[[2-[[1-[2-[4-[[5,7-dimethyl-4-(2-methylsulfonylethylamino)pyrido[2,3-d]pyrimidin-2-yl]amino]piperidin-1-yl]ethyl]piperidin-4-yl]amino]-5,7-dimethylpyrido[2,3-d]pyrimidin-4-yl]amino]ethyl]acetamide (CID 176671520) is N-[2-[[2-[[1-[2-[4-[[5,7-dimethyl-4-(2-methylsulfonylethylamino)pyrido[2,3-d]pyrimidin-2-yl]amino]piperidin-1-yl]ethyl]piperidin-4-yl]amino]-5,7-dimethylpyrido[2,3-d]pyrimidin-4-yl]amino]ethyl]acetamide.

What is the SMILES notation for N-[2-[[2-[[1-[2-[4-[[5,7-dimethyl-4-(2-methylsulfonylethylamino)pyrido[2,3-d]pyrimidin-2-yl]amino]piperidin-1-yl]ethyl]piperidin-4-yl]amino]-5,7-dimethylpyrido[2,3-d]pyrimidin-4-yl]amino]ethyl]acetamide?

The canonical SMILES for N-[2-[[2-[[1-[2-[4-[[5,7-dimethyl-4-(2-methylsulfonylethylamino)pyrido[2,3-d]pyrimidin-2-yl]amino]piperidin-1-yl]ethyl]piperidin-4-yl]amino]-5,7-dimethylpyrido[2,3-d]pyrimidin-4-yl]amino]ethyl]acetamide is CC(=O)NCCNc1nc(NC2CCN(CCN3CCC(Nc4nc(NCCS(C)(=O)=O)c5c(C)cc(C)nc5n4)CC3)CC2)nc2nc(C)cc(C)c12.

What is the InChIKey of N-[2-[[2-[[1-[2-[4-[[5,7-dimethyl-4-(2-methylsulfonylethylamino)pyrido[2,3-d]pyrimidin-2-yl]amino]piperidin-1-yl]ethyl]piperidin-4-yl]amino]-5,7-dimethylpyrido[2,3-d]pyrimidin-4-yl]amino]ethyl]acetamide?

The InChIKey is FDJDOYGIHVNJFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H55N13O3S/c1-23-21-25(3)41-34-30(23)32(39-12-11-38-27(5)51)45-36(47-34)43-28-7-14-49(15-8-28)18-19-50-16-9-29(10-17-50)44-37-46-33(40-13-20-54(6,52)53)31-24(2)22-26(4)42-35(31)48-37/h21-22,28-29H,7-20H2,1-6H3,(H,38,51)(H2,39,41,43,45,47)(H2,40,42,44,46,48).

What are the key properties of N-[2-[[2-[[1-[2-[4-[[5,7-dimethyl-4-(2-methylsulfonylethylamino)pyrido[2,3-d]pyrimidin-2-yl]amino]piperidin-1-yl]ethyl]piperidin-4-yl]amino]-5,7-dimethylpyrido[2,3-d]pyrimidin-4-yl]amino]ethyl]acetamide?

N-[2-[[2-[[1-[2-[4-[[5,7-dimethyl-4-(2-methylsulfonylethylamino)pyrido[2,3-d]pyrimidin-2-yl]amino]piperidin-1-yl]ethyl]piperidin-4-yl]amino]-5,7-dimethylpyrido[2,3-d]pyrimidin-4-yl]amino]ethyl]acetamide has a molecular weight of 762.00 g/mol, XLogP of 3.05, 15 rotatable bonds, 5 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[[2-[[1-[2-[4-[[5,7-dimethyl-4-(2-methylsulfonylethylamino)pyrido[2,3-d]pyrimidin-2-yl]amino]piperidin-1-yl]ethyl]piperidin-4-yl]amino]-5,7-dimethylpyrido[2,3-d]pyrimidin-4-yl]amino]ethyl]acetamide is sourced from PubChem (CID 176671520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).