4-methyl-5-[3-methyl-7-[[5-(2,2,6,6-tetradeuterio-4-methylpiperazine-1-carbonyl)-2-pyridinyl]amino]imidazo[4,5-b]pyridin-5-yl]oxypyridine-2-carbonitrile

C25H25N9O2 — CID 138560280

About 4-methyl-5-[3-methyl-7-[[5-(2,2,6,6-tetradeuterio-4-methylpiperazine-1-carbonyl)-2-pyridinyl]amino]imidazo[4,5-b]pyridin-5-yl]oxypyridine-2-carbonitrile

4-methyl-5-[3-methyl-7-[[5-(2,2,6,6-tetradeuterio-4-methylpiperazine-1-carbonyl)-2-pyridinyl]amino]imidazo[4,5-b]pyridin-5-yl]oxypyridine-2-carbonitrile (PubChem CID 138560280) has the molecular formula C25H25N9O2 and a molecular weight of 487.56 g/mol. Its IUPAC name is 4-methyl-5-[3-methyl-7-[[5-(2,2,6,6-tetradeuterio-4-methylpiperazine-1-carbonyl)-2-pyridinyl]amino]imidazo[4,5-b]pyridin-5-yl]oxypyridine-2-carbonitrile.

Molecular Properties

• Compound Name: 4-methyl-5-[3-methyl-7-[[5-(2,2,6,6-tetradeuterio-4-methylpiperazine-1-carbonyl)-2-pyridinyl]amino]imidazo[4,5-b]pyridin-5-yl]oxypyridine-2-carbonitrile
• PubChem CID: 138560280
• Molecular Formula: C25H25N9O2
• Molecular Weight: 487.56 g/mol
• Exact Mass: 487.24
• IUPAC Name: 4-methyl-5-[3-methyl-7-[[5-(2,2,6,6-tetradeuterio-4-methylpiperazine-1-carbonyl)-2-pyridinyl]amino]imidazo[4,5-b]pyridin-5-yl]oxypyridine-2-carbonitrile
• SMILES: [2H]C1([2H])CN(C)CC([2H])([2H])N1C(=O)c1ccc(Nc2cc(Oc3cnc(C#N)cc3C)nc3c2ncn3C)nc1
• InChI: InChI=1S/C25H25N9O2/c1-16-10-18(12-26)27-14-20(16)36-22-11-19(23-24(31-22)33(3)15-29-23)30-21-5-4-17(13-28-21)25(35)34-8-6-32(2)7-9-34/h4-5,10-11,13-15H,6-9H2,1-3H3,(H,28,30,31)/i8D2,9D2
• InChIKey: PLNRHDBVQIZKAL-LZMSFWOYSA-N
• XLogP: 2.86
• TPSA: 125.09 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 10
• Rotatable Bonds: 5
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	487.56
LogP ≤ 5	2.86
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 4-methyl-5-[3-methyl-7-[[5-(2,2,6,6-tetradeuterio-4-methylpiperazine-1-carbonyl)-2-pyridinyl]amino]imidazo[4,5-b]pyridin-5-yl]oxypyridine-2-carbonitrile?

The IUPAC name of 4-methyl-5-[3-methyl-7-[[5-(2,2,6,6-tetradeuterio-4-methylpiperazine-1-carbonyl)-2-pyridinyl]amino]imidazo[4,5-b]pyridin-5-yl]oxypyridine-2-carbonitrile (CID 138560280) is 4-methyl-5-[3-methyl-7-[[5-(2,2,6,6-tetradeuterio-4-methylpiperazine-1-carbonyl)-2-pyridinyl]amino]imidazo[4,5-b]pyridin-5-yl]oxypyridine-2-carbonitrile.

What is the SMILES notation for 4-methyl-5-[3-methyl-7-[[5-(2,2,6,6-tetradeuterio-4-methylpiperazine-1-carbonyl)-2-pyridinyl]amino]imidazo[4,5-b]pyridin-5-yl]oxypyridine-2-carbonitrile?

The canonical SMILES for 4-methyl-5-[3-methyl-7-[[5-(2,2,6,6-tetradeuterio-4-methylpiperazine-1-carbonyl)-2-pyridinyl]amino]imidazo[4,5-b]pyridin-5-yl]oxypyridine-2-carbonitrile is [2H]C1([2H])CN(C)CC([2H])([2H])N1C(=O)c1ccc(Nc2cc(Oc3cnc(C#N)cc3C)nc3c2ncn3C)nc1.

What is the InChIKey of 4-methyl-5-[3-methyl-7-[[5-(2,2,6,6-tetradeuterio-4-methylpiperazine-1-carbonyl)-2-pyridinyl]amino]imidazo[4,5-b]pyridin-5-yl]oxypyridine-2-carbonitrile?

The InChIKey is PLNRHDBVQIZKAL-LZMSFWOYSA-N. The full InChI is InChI=1S/C25H25N9O2/c1-16-10-18(12-26)27-14-20(16)36-22-11-19(23-24(31-22)33(3)15-29-23)30-21-5-4-17(13-28-21)25(35)34-8-6-32(2)7-9-34/h4-5,10-11,13-15H,6-9H2,1-3H3,(H,28,30,31)/i8D2,9D2.

What are the key properties of 4-methyl-5-[3-methyl-7-[[5-(2,2,6,6-tetradeuterio-4-methylpiperazine-1-carbonyl)-2-pyridinyl]amino]imidazo[4,5-b]pyridin-5-yl]oxypyridine-2-carbonitrile?

4-methyl-5-[3-methyl-7-[[5-(2,2,6,6-tetradeuterio-4-methylpiperazine-1-carbonyl)-2-pyridinyl]amino]imidazo[4,5-b]pyridin-5-yl]oxypyridine-2-carbonitrile has a molecular weight of 487.56 g/mol, XLogP of 2.86, 5 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 4-methyl-5-[3-methyl-7-[[5-(2,2,6,6-tetradeuterio-4-methylpiperazine-1-carbonyl)-2-pyridinyl]amino]imidazo[4,5-b]pyridin-5-yl]oxypyridine-2-carbonitrile is sourced from PubChem (CID 138560280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).