tert-butyl N-[(2R)-2-[tert-butyl(dimethyl)silyl]oxy-2-methyl-3-[2-[(1-methylsulfonylpiperidin-4-yl)amino]-7-oxopyrido[2,3-d]pyrimidin-8-yl]propyl]carbamate

C28H48N6O6SSi — CID 170537962

About tert-butyl N-[(2R)-2-[tert-butyl(dimethyl)silyl]oxy-2-methyl-3-[2-[(1-methylsulfonylpiperidin-4-yl)amino]-7-oxopyrido[2,3-d]pyrimidin-8-yl]propyl]carbamate

tert-butyl N-[(2R)-2-[tert-butyl(dimethyl)silyl]oxy-2-methyl-3-[2-[(1-methylsulfonylpiperidin-4-yl)amino]-7-oxopyrido[2,3-d]pyrimidin-8-yl]propyl]carbamate (PubChem CID 170537962) has the molecular formula C28H48N6O6SSi and a molecular weight of 624.88 g/mol. Its IUPAC name is tert-butyl N-[(2R)-2-[tert-butyl(dimethyl)silyl]oxy-2-methyl-3-[2-[(1-methylsulfonylpiperidin-4-yl)amino]-7-oxopyrido[2,3-d]pyrimidin-8-yl]propyl]carbamate.

Molecular Properties

• Compound Name: tert-butyl N-[(2R)-2-[tert-butyl(dimethyl)silyl]oxy-2-methyl-3-[2-[(1-methylsulfonylpiperidin-4-yl)amino]-7-oxopyrido[2,3-d]pyrimidin-8-yl]propyl]carbamate
• PubChem CID: 170537962
• Molecular Formula: C28H48N6O6SSi
• Molecular Weight: 624.88 g/mol
• Exact Mass: 624.31
• IUPAC Name: tert-butyl N-[(2R)-2-[tert-butyl(dimethyl)silyl]oxy-2-methyl-3-[2-[(1-methylsulfonylpiperidin-4-yl)amino]-7-oxopyrido[2,3-d]pyrimidin-8-yl]propyl]carbamate
• SMILES: CC(C)(C)OC(=O)NC[C@](C)(Cn1c(=O)ccc2cnc(NC3CCN(S(C)(=O)=O)CC3)nc21)O[Si](C)(C)C(C)(C)C
• InChI: InChI=1S/C28H48N6O6SSi/c1-26(2,3)39-25(36)30-18-28(7,40-42(9,10)27(4,5)6)19-34-22(35)12-11-20-17-29-24(32-23(20)34)31-21-13-15-33(16-14-21)41(8,37)38/h11-12,17,21H,13-16,18-19H2,1-10H3,(H,30,36)(H,29,31,32)/t28-/m1/s1
• InChIKey: JAMINZDGNPZOCU-MUUNZHRXSA-N
• XLogP: 3.93
• TPSA: 144.75 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 9
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	624.88
LogP ≤ 5	3.93
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(2R)-2-[tert-butyl(dimethyl)silyl]oxy-2-methyl-3-[2-[(1-methylsulfonylpiperidin-4-yl)amino]-7-oxopyrido[2,3-d]pyrimidin-8-yl]propyl]carbamate?

The IUPAC name of tert-butyl N-[(2R)-2-[tert-butyl(dimethyl)silyl]oxy-2-methyl-3-[2-[(1-methylsulfonylpiperidin-4-yl)amino]-7-oxopyrido[2,3-d]pyrimidin-8-yl]propyl]carbamate (CID 170537962) is tert-butyl N-[(2R)-2-[tert-butyl(dimethyl)silyl]oxy-2-methyl-3-[2-[(1-methylsulfonylpiperidin-4-yl)amino]-7-oxopyrido[2,3-d]pyrimidin-8-yl]propyl]carbamate.

What is the SMILES notation for tert-butyl N-[(2R)-2-[tert-butyl(dimethyl)silyl]oxy-2-methyl-3-[2-[(1-methylsulfonylpiperidin-4-yl)amino]-7-oxopyrido[2,3-d]pyrimidin-8-yl]propyl]carbamate?

The canonical SMILES for tert-butyl N-[(2R)-2-[tert-butyl(dimethyl)silyl]oxy-2-methyl-3-[2-[(1-methylsulfonylpiperidin-4-yl)amino]-7-oxopyrido[2,3-d]pyrimidin-8-yl]propyl]carbamate is CC(C)(C)OC(=O)NC[C@](C)(Cn1c(=O)ccc2cnc(NC3CCN(S(C)(=O)=O)CC3)nc21)O[Si](C)(C)C(C)(C)C.

What is the InChIKey of tert-butyl N-[(2R)-2-[tert-butyl(dimethyl)silyl]oxy-2-methyl-3-[2-[(1-methylsulfonylpiperidin-4-yl)amino]-7-oxopyrido[2,3-d]pyrimidin-8-yl]propyl]carbamate?

The InChIKey is JAMINZDGNPZOCU-MUUNZHRXSA-N. The full InChI is InChI=1S/C28H48N6O6SSi/c1-26(2,3)39-25(36)30-18-28(7,40-42(9,10)27(4,5)6)19-34-22(35)12-11-20-17-29-24(32-23(20)34)31-21-13-15-33(16-14-21)41(8,37)38/h11-12,17,21H,13-16,18-19H2,1-10H3,(H,30,36)(H,29,31,32)/t28-/m1/s1.

What are the key properties of tert-butyl N-[(2R)-2-[tert-butyl(dimethyl)silyl]oxy-2-methyl-3-[2-[(1-methylsulfonylpiperidin-4-yl)amino]-7-oxopyrido[2,3-d]pyrimidin-8-yl]propyl]carbamate?

tert-butyl N-[(2R)-2-[tert-butyl(dimethyl)silyl]oxy-2-methyl-3-[2-[(1-methylsulfonylpiperidin-4-yl)amino]-7-oxopyrido[2,3-d]pyrimidin-8-yl]propyl]carbamate has a molecular weight of 624.88 g/mol, XLogP of 3.93, 9 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl N-[(2R)-2-[tert-butyl(dimethyl)silyl]oxy-2-methyl-3-[2-[(1-methylsulfonylpiperidin-4-yl)amino]-7-oxopyrido[2,3-d]pyrimidin-8-yl]propyl]carbamate is sourced from PubChem (CID 170537962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).