2,2-dideuterio-1-[(3R,4R)-3-deuterio-3-[(2,5-dideuterio-6-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-methylamino]-4-methylpiperidin-1-yl]-2-isocyanoethanone;2,2-dideuterio-1-[(3R,4R)-3-deuterio-3-[(2,5-dideuterio-6-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-methylamino]-4-(trideuteriomethyl)piperidin-1-yl]-2-isocyanoethanone;2,2-dideuterio-1-[(3R,4R)-4-deuterio-3-[(2,5-dideuterio-6-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-methylamino]-4-(trideuteriomethyl)piperidin-1-yl]-2-isocyanoethanone;2,2-dideuterio-1-[(3R,4R)-3,4-dideuterio-3-[(2,5-dideuterio-6-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-methylamino]-4-methylpiperidin-1-yl]-2-isocyanoethanone;2,2-dideuterio-1-[(3R,4R)-3,4-dideuterio-3-[(2,5-dideuterio-6-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-methylamino]-4-(trideuteriomethyl)piperidin-1-yl]-2-isocyanoethanone;2,2-dideuterio-1-[(3R,4R)-3-[(2,5-dideuterio-6-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-(trideuteriomethyl)amino]-4-methylpiperidin-1-yl]-2-isocyanoethanone

C102H132N36O6 — CID 159331861

About 2,2-dideuterio-1-[(3R,4R)-3-deuterio-3-[(2,5-dideuterio-6-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-methylamino]-4-methylpiperidin-1-yl]-2-isocyanoethanone;2,2-dideuterio-1-[(3R,4R)-3-deuterio-3-[(2,5-dideuterio-6-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-methylamino]-4-(trideuteriomethyl)piperidin-1-yl]-2-isocyanoethanone;2,2-dideuterio-1-[(3R,4R)-4-deuterio-3-[(2,5-dideuterio-6-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-methylamino]-4-(trideuteriomethyl)piperidin-1-yl]-2-isocyanoethanone;2,2-dideuterio-1-[(3R,4R)-3,4-dideuterio-3-[(2,5-dideuterio-6-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-methylamino]-4-methylpiperidin-1-yl]-2-isocyanoethanone;2,2-dideuterio-1-[(3R,4R)-3,4-dideuterio-3-[(2,5-dideuterio-6-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-methylamino]-4-(trideuteriomethyl)piperidin-1-yl]-2-isocyanoethanone;2,2-dideuterio-1-[(3R,4R)-3-[(2,5-dideuterio-6-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-(trideuteriomethyl)amino]-4-methylpiperidin-1-yl]-2-isocyanoethanone

2,2-dideuterio-1-[(3R,4R)-3-deuterio-3-[(2,5-dideuterio-6-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-methylamino]-4-methylpiperidin-1-yl]-2-isocyanoethanone;2,2-dideuterio-1-[(3R,4R)-3-deuterio-3-[(2,5-dideuterio-6-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-methylamino]-4-(trideuteriomethyl)piperidin-1-yl]-2-isocyanoethanone;2,2-dideuterio-1-[(3R,4R)-4-deuterio-3-[(2,5-dideuterio-6-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-methylamino]-4-(trideuteriomethyl)piperidin-1-yl]-2-isocyanoethanone;2,2-dideuterio-1-[(3R,4R)-3,4-dideuterio-3-[(2,5-dideuterio-6-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-methylamino]-4-methylpiperidin-1-yl]-2-isocyanoethanone;2,2-dideuterio-1-[(3R,4R)-3,4-dideuterio-3-[(2,5-dideuterio-6-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-methylamino]-4-(trideuteriomethyl)piperidin-1-yl]-2-isocyanoethanone;2,2-dideuterio-1-[(3R,4R)-3-[(2,5-dideuterio-6-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-(trideuteriomethyl)amino]-4-methylpiperidin-1-yl]-2-isocyanoethanone (PubChem CID 159331861) has the molecular formula C102H132N36O6 and a molecular weight of 2001.69 g/mol. Its IUPAC name is 2,2-dideuterio-1-[(3R,4R)-3-deuterio-3-[(2,5-dideuterio-6-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-methylamino]-4-methylpiperidin-1-yl]-2-isocyanoethanone;2,2-dideuterio-1-[(3R,4R)-3-deuterio-3-[(2,5-dideuterio-6-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-methylamino]-4-(trideuteriomethyl)piperidin-1-yl]-2-isocyanoethanone;2,2-dideuterio-1-[(3R,4R)-4-deuterio-3-[(2,5-dideuterio-6-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-methylamino]-4-(trideuteriomethyl)piperidin-1-yl]-2-isocyanoethanone;2,2-dideuterio-1-[(3R,4R)-3,4-dideuterio-3-[(2,5-dideuterio-6-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-methylamino]-4-methylpiperidin-1-yl]-2-isocyanoethanone;2,2-dideuterio-1-[(3R,4R)-3,4-dideuterio-3-[(2,5-dideuterio-6-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-methylamino]-4-(trideuteriomethyl)piperidin-1-yl]-2-isocyanoethanone;2,2-dideuterio-1-[(3R,4R)-3-[(2,5-dideuterio-6-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-(trideuteriomethyl)amino]-4-methylpiperidin-1-yl]-2-isocyanoethanone.

Molecular Properties

• Compound Name: 2,2-dideuterio-1-[(3R,4R)-3-deuterio-3-[(2,5-dideuterio-6-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-methylamino]-4-methylpiperidin-1-yl]-2-isocyanoethanone;2,2-dideuterio-1-[(3R,4R)-3-deuterio-3-[(2,5-dideuterio-6-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-methylamino]-4-(trideuteriomethyl)piperidin-1-yl]-2-isocyanoethanone;2,2-dideuterio-1-[(3R,4R)-4-deuterio-3-[(2,5-dideuterio-6-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-methylamino]-4-(trideuteriomethyl)piperidin-1-yl]-2-isocyanoethanone;2,2-dideuterio-1-[(3R,4R)-3,4-dideuterio-3-[(2,5-dideuterio-6-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-methylamino]-4-methylpiperidin-1-yl]-2-isocyanoethanone;2,2-dideuterio-1-[(3R,4R)-3,4-dideuterio-3-[(2,5-dideuterio-6-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-methylamino]-4-(trideuteriomethyl)piperidin-1-yl]-2-isocyanoethanone;2,2-dideuterio-1-[(3R,4R)-3-[(2,5-dideuterio-6-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-(trideuteriomethyl)amino]-4-methylpiperidin-1-yl]-2-isocyanoethanone
• PubChem CID: 159331861
• Molecular Formula: C102H132N36O6
• Molecular Weight: 2001.69 g/mol
• Exact Mass: 2000.38
• IUPAC Name: 2,2-dideuterio-1-[(3R,4R)-3-deuterio-3-[(2,5-dideuterio-6-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-methylamino]-4-methylpiperidin-1-yl]-2-isocyanoethanone;2,2-dideuterio-1-[(3R,4R)-3-deuterio-3-[(2,5-dideuterio-6-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-methylamino]-4-(trideuteriomethyl)piperidin-1-yl]-2-isocyanoethanone;2,2-dideuterio-1-[(3R,4R)-4-deuterio-3-[(2,5-dideuterio-6-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-methylamino]-4-(trideuteriomethyl)piperidin-1-yl]-2-isocyanoethanone;2,2-dideuterio-1-[(3R,4R)-3,4-dideuterio-3-[(2,5-dideuterio-6-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-methylamino]-4-methylpiperidin-1-yl]-2-isocyanoethanone;2,2-dideuterio-1-[(3R,4R)-3,4-dideuterio-3-[(2,5-dideuterio-6-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-methylamino]-4-(trideuteriomethyl)piperidin-1-yl]-2-isocyanoethanone;2,2-dideuterio-1-[(3R,4R)-3-[(2,5-dideuterio-6-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-(trideuteriomethyl)amino]-4-methylpiperidin-1-yl]-2-isocyanoethanone
• SMILES: [2H]c1nc(N(C)[C@@]2([2H])CN(C(=O)C([2H])([2H])[N+]#[C-])CC[C@@]2([2H])C([2H])([2H])[2H])c2c([2H])c(C)[nH]c2n1.[2H]c1nc(N(C)[C@@]2([2H])CN(C(=O)C([2H])([2H])[N+]#[C-])CC[C@@]2([2H])C)c2c([2H])c(C)[nH]c2n1.[2H]c1nc(N(C)[C@@]2([2H])CN(C(=O)C([2H])([2H])[N+]#[C-])CC[C@H]2C([2H])([2H])[2H])c2c([2H])c(C)[nH]c2n1.[2H]c1nc(N(C)[C@@]2([2H])CN(C(=O)C([2H])([2H])[N+]#[C-])CC[C@H]2C)c2c([2H])c(C)[nH]c2n1.[2H]c1nc(N(C)[C@H]2CN(C(=O)C([2H])([2H])[N+]#[C-])CC[C@@]2([2H])C([2H])([2H])[2H])c2c([2H])c(C)[nH]c2n1.[2H]c1nc(N([C@H]2CN(C(=O)C([2H])([2H])[N+]#[C-])CC[C@H]2C)C([2H])([2H])[2H])c2c([2H])c(C)[nH]c2n1
• InChI: InChI=1S/6C17H22N6O/c6*1-11-5-6-23(15(24)8-18-3)9-14(11)22(4)17-13-7-12(2)21-16(13)19-10-20-17/h6*7,10-11,14H,5-6,8-9H2,1-2,4H3,(H,19,20,21)/t6*11-,14+/m111111/s1/i1D3,7D,8D2,10D,11D,14D;7D,8D2,10D,11D,14D;1D3,7D,8D2,10D,14D;1D3,7D,8D2,10D,11D;7D,8D2,10D,14D;4D3,7D,8D2,10D
• InChIKey: LFBFJVVQKZSOFJ-CZKWPWEVSA-N
• XLogP: 11.15
• TPSA: 416.88 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 24
• Rotatable Bonds: 22
• Heavy Atoms: 144
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2001.69
LogP ≤ 5	11.15
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	24

Frequently Asked Questions

What is the IUPAC name of 2,2-dideuterio-1-[(3R,4R)-3-deuterio-3-[(2,5-dideuterio-6-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-methylamino]-4-methylpiperidin-1-yl]-2-isocyanoethanone;2,2-dideuterio-1-[(3R,4R)-3-deuterio-3-[(2,5-dideuterio-6-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-methylamino]-4-(trideuteriomethyl)piperidin-1-yl]-2-isocyanoethanone;2,2-dideuterio-1-[(3R,4R)-4-deuterio-3-[(2,5-dideuterio-6-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-methylamino]-4-(trideuteriomethyl)piperidin-1-yl]-2-isocyanoethanone;2,2-dideuterio-1-[(3R,4R)-3,4-dideuterio-3-[(2,5-dideuterio-6-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-methylamino]-4-methylpiperidin-1-yl]-2-isocyanoethanone;2,2-dideuterio-1-[(3R,4R)-3,4-dideuterio-3-[(2,5-dideuterio-6-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-methylamino]-4-(trideuteriomethyl)piperidin-1-yl]-2-isocyanoethanone;2,2-dideuterio-1-[(3R,4R)-3-[(2,5-dideuterio-6-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-(trideuteriomethyl)amino]-4-methylpiperidin-1-yl]-2-isocyanoethanone?

The IUPAC name of 2,2-dideuterio-1-[(3R,4R)-3-deuterio-3-[(2,5-dideuterio-6-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-methylamino]-4-methylpiperidin-1-yl]-2-isocyanoethanone;2,2-dideuterio-1-[(3R,4R)-3-deuterio-3-[(2,5-dideuterio-6-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-methylamino]-4-(trideuteriomethyl)piperidin-1-yl]-2-isocyanoethanone;2,2-dideuterio-1-[(3R,4R)-4-deuterio-3-[(2,5-dideuterio-6-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-methylamino]-4-(trideuteriomethyl)piperidin-1-yl]-2-isocyanoethanone;2,2-dideuterio-1-[(3R,4R)-3,4-dideuterio-3-[(2,5-dideuterio-6-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-methylamino]-4-methylpiperidin-1-yl]-2-isocyanoethanone;2,2-dideuterio-1-[(3R,4R)-3,4-dideuterio-3-[(2,5-dideuterio-6-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-methylamino]-4-(trideuteriomethyl)piperidin-1-yl]-2-isocyanoethanone;2,2-dideuterio-1-[(3R,4R)-3-[(2,5-dideuterio-6-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-(trideuteriomethyl)amino]-4-methylpiperidin-1-yl]-2-isocyanoethanone (CID 159331861) is 2,2-dideuterio-1-[(3R,4R)-3-deuterio-3-[(2,5-dideuterio-6-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-methylamino]-4-methylpiperidin-1-yl]-2-isocyanoethanone;2,2-dideuterio-1-[(3R,4R)-3-deuterio-3-[(2,5-dideuterio-6-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-methylamino]-4-(trideuteriomethyl)piperidin-1-yl]-2-isocyanoethanone;2,2-dideuterio-1-[(3R,4R)-4-deuterio-3-[(2,5-dideuterio-6-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-methylamino]-4-(trideuteriomethyl)piperidin-1-yl]-2-isocyanoethanone;2,2-dideuterio-1-[(3R,4R)-3,4-dideuterio-3-[(2,5-dideuterio-6-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-methylamino]-4-methylpiperidin-1-yl]-2-isocyanoethanone;2,2-dideuterio-1-[(3R,4R)-3,4-dideuterio-3-[(2,5-dideuterio-6-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-methylamino]-4-(trideuteriomethyl)piperidin-1-yl]-2-isocyanoethanone;2,2-dideuterio-1-[(3R,4R)-3-[(2,5-dideuterio-6-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-(trideuteriomethyl)amino]-4-methylpiperidin-1-yl]-2-isocyanoethanone.

What is the SMILES notation for 2,2-dideuterio-1-[(3R,4R)-3-deuterio-3-[(2,5-dideuterio-6-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-methylamino]-4-methylpiperidin-1-yl]-2-isocyanoethanone;2,2-dideuterio-1-[(3R,4R)-3-deuterio-3-[(2,5-dideuterio-6-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-methylamino]-4-(trideuteriomethyl)piperidin-1-yl]-2-isocyanoethanone;2,2-dideuterio-1-[(3R,4R)-4-deuterio-3-[(2,5-dideuterio-6-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-methylamino]-4-(trideuteriomethyl)piperidin-1-yl]-2-isocyanoethanone;2,2-dideuterio-1-[(3R,4R)-3,4-dideuterio-3-[(2,5-dideuterio-6-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-methylamino]-4-methylpiperidin-1-yl]-2-isocyanoethanone;2,2-dideuterio-1-[(3R,4R)-3,4-dideuterio-3-[(2,5-dideuterio-6-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-methylamino]-4-(trideuteriomethyl)piperidin-1-yl]-2-isocyanoethanone;2,2-dideuterio-1-[(3R,4R)-3-[(2,5-dideuterio-6-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-(trideuteriomethyl)amino]-4-methylpiperidin-1-yl]-2-isocyanoethanone?

The canonical SMILES for 2,2-dideuterio-1-[(3R,4R)-3-deuterio-3-[(2,5-dideuterio-6-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-methylamino]-4-methylpiperidin-1-yl]-2-isocyanoethanone;2,2-dideuterio-1-[(3R,4R)-3-deuterio-3-[(2,5-dideuterio-6-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-methylamino]-4-(trideuteriomethyl)piperidin-1-yl]-2-isocyanoethanone;2,2-dideuterio-1-[(3R,4R)-4-deuterio-3-[(2,5-dideuterio-6-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-methylamino]-4-(trideuteriomethyl)piperidin-1-yl]-2-isocyanoethanone;2,2-dideuterio-1-[(3R,4R)-3,4-dideuterio-3-[(2,5-dideuterio-6-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-methylamino]-4-methylpiperidin-1-yl]-2-isocyanoethanone;2,2-dideuterio-1-[(3R,4R)-3,4-dideuterio-3-[(2,5-dideuterio-6-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-methylamino]-4-(trideuteriomethyl)piperidin-1-yl]-2-isocyanoethanone;2,2-dideuterio-1-[(3R,4R)-3-[(2,5-dideuterio-6-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-(trideuteriomethyl)amino]-4-methylpiperidin-1-yl]-2-isocyanoethanone is [2H]c1nc(N(C)[C@@]2([2H])CN(C(=O)C([2H])([2H])[N+]#[C-])CC[C@@]2([2H])C([2H])([2H])[2H])c2c([2H])c(C)[nH]c2n1.[2H]c1nc(N(C)[C@@]2([2H])CN(C(=O)C([2H])([2H])[N+]#[C-])CC[C@@]2([2H])C)c2c([2H])c(C)[nH]c2n1.[2H]c1nc(N(C)[C@@]2([2H])CN(C(=O)C([2H])([2H])[N+]#[C-])CC[C@H]2C([2H])([2H])[2H])c2c([2H])c(C)[nH]c2n1.[2H]c1nc(N(C)[C@@]2([2H])CN(C(=O)C([2H])([2H])[N+]#[C-])CC[C@H]2C)c2c([2H])c(C)[nH]c2n1.[2H]c1nc(N(C)[C@H]2CN(C(=O)C([2H])([2H])[N+]#[C-])CC[C@@]2([2H])C([2H])([2H])[2H])c2c([2H])c(C)[nH]c2n1.[2H]c1nc(N([C@H]2CN(C(=O)C([2H])([2H])[N+]#[C-])CC[C@H]2C)C([2H])([2H])[2H])c2c([2H])c(C)[nH]c2n1.

What is the InChIKey of 2,2-dideuterio-1-[(3R,4R)-3-deuterio-3-[(2,5-dideuterio-6-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-methylamino]-4-methylpiperidin-1-yl]-2-isocyanoethanone;2,2-dideuterio-1-[(3R,4R)-3-deuterio-3-[(2,5-dideuterio-6-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-methylamino]-4-(trideuteriomethyl)piperidin-1-yl]-2-isocyanoethanone;2,2-dideuterio-1-[(3R,4R)-4-deuterio-3-[(2,5-dideuterio-6-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-methylamino]-4-(trideuteriomethyl)piperidin-1-yl]-2-isocyanoethanone;2,2-dideuterio-1-[(3R,4R)-3,4-dideuterio-3-[(2,5-dideuterio-6-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-methylamino]-4-methylpiperidin-1-yl]-2-isocyanoethanone;2,2-dideuterio-1-[(3R,4R)-3,4-dideuterio-3-[(2,5-dideuterio-6-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-methylamino]-4-(trideuteriomethyl)piperidin-1-yl]-2-isocyanoethanone;2,2-dideuterio-1-[(3R,4R)-3-[(2,5-dideuterio-6-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-(trideuteriomethyl)amino]-4-methylpiperidin-1-yl]-2-isocyanoethanone?

The InChIKey is LFBFJVVQKZSOFJ-CZKWPWEVSA-N. The full InChI is InChI=1S/6C17H22N6O/c6*1-11-5-6-23(15(24)8-18-3)9-14(11)22(4)17-13-7-12(2)21-16(13)19-10-20-17/h6*7,10-11,14H,5-6,8-9H2,1-2,4H3,(H,19,20,21)/t6*11-,14+/m111111/s1/i1D3,7D,8D2,10D,11D,14D;7D,8D2,10D,11D,14D;1D3,7D,8D2,10D,14D;1D3,7D,8D2,10D,11D;7D,8D2,10D,14D;4D3,7D,8D2,10D.

What are the key properties of 2,2-dideuterio-1-[(3R,4R)-3-deuterio-3-[(2,5-dideuterio-6-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-methylamino]-4-methylpiperidin-1-yl]-2-isocyanoethanone;2,2-dideuterio-1-[(3R,4R)-3-deuterio-3-[(2,5-dideuterio-6-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-methylamino]-4-(trideuteriomethyl)piperidin-1-yl]-2-isocyanoethanone;2,2-dideuterio-1-[(3R,4R)-4-deuterio-3-[(2,5-dideuterio-6-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-methylamino]-4-(trideuteriomethyl)piperidin-1-yl]-2-isocyanoethanone;2,2-dideuterio-1-[(3R,4R)-3,4-dideuterio-3-[(2,5-dideuterio-6-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-methylamino]-4-methylpiperidin-1-yl]-2-isocyanoethanone;2,2-dideuterio-1-[(3R,4R)-3,4-dideuterio-3-[(2,5-dideuterio-6-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-methylamino]-4-(trideuteriomethyl)piperidin-1-yl]-2-isocyanoethanone;2,2-dideuterio-1-[(3R,4R)-3-[(2,5-dideuterio-6-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-(trideuteriomethyl)amino]-4-methylpiperidin-1-yl]-2-isocyanoethanone?

2,2-dideuterio-1-[(3R,4R)-3-deuterio-3-[(2,5-dideuterio-6-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-methylamino]-4-methylpiperidin-1-yl]-2-isocyanoethanone;2,2-dideuterio-1-[(3R,4R)-3-deuterio-3-[(2,5-dideuterio-6-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-methylamino]-4-(trideuteriomethyl)piperidin-1-yl]-2-isocyanoethanone;2,2-dideuterio-1-[(3R,4R)-4-deuterio-3-[(2,5-dideuterio-6-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-methylamino]-4-(trideuteriomethyl)piperidin-1-yl]-2-isocyanoethanone;2,2-dideuterio-1-[(3R,4R)-3,4-dideuterio-3-[(2,5-dideuterio-6-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-methylamino]-4-methylpiperidin-1-yl]-2-isocyanoethanone;2,2-dideuterio-1-[(3R,4R)-3,4-dideuterio-3-[(2,5-dideuterio-6-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-methylamino]-4-(trideuteriomethyl)piperidin-1-yl]-2-isocyanoethanone;2,2-dideuterio-1-[(3R,4R)-3-[(2,5-dideuterio-6-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-(trideuteriomethyl)amino]-4-methylpiperidin-1-yl]-2-isocyanoethanone has a molecular weight of 2001.69 g/mol, XLogP of 11.15, 22 rotatable bonds, 6 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for 2,2-dideuterio-1-[(3R,4R)-3-deuterio-3-[(2,5-dideuterio-6-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-methylamino]-4-methylpiperidin-1-yl]-2-isocyanoethanone;2,2-dideuterio-1-[(3R,4R)-3-deuterio-3-[(2,5-dideuterio-6-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-methylamino]-4-(trideuteriomethyl)piperidin-1-yl]-2-isocyanoethanone;2,2-dideuterio-1-[(3R,4R)-4-deuterio-3-[(2,5-dideuterio-6-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-methylamino]-4-(trideuteriomethyl)piperidin-1-yl]-2-isocyanoethanone;2,2-dideuterio-1-[(3R,4R)-3,4-dideuterio-3-[(2,5-dideuterio-6-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-methylamino]-4-methylpiperidin-1-yl]-2-isocyanoethanone;2,2-dideuterio-1-[(3R,4R)-3,4-dideuterio-3-[(2,5-dideuterio-6-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-methylamino]-4-(trideuteriomethyl)piperidin-1-yl]-2-isocyanoethanone;2,2-dideuterio-1-[(3R,4R)-3-[(2,5-dideuterio-6-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-(trideuteriomethyl)amino]-4-methylpiperidin-1-yl]-2-isocyanoethanone is sourced from PubChem (CID 159331861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).