1-[3-[(dimethylamino)methyl]imidazo[4,5-b]pyridin-5-yl]-N,N-dimethylpiperidin-4-amine;6-[5-[4-(dimethylamino)piperidin-1-yl]-1H-imidazo[4,5-b]pyridine-2-carbonyl]-2-(1,3,5-trimethylpyrazol-4-yl)pyridine-3-carbonitrile;methyl 5-cyano-6-(1,3,5-trimethylpyrazol-4-yl)pyridine-2-carboxylate

C56H69N19O3 — CID 157492581

About 1-[3-[(dimethylamino)methyl]imidazo[4,5-b]pyridin-5-yl]-N,N-dimethylpiperidin-4-amine;6-[5-[4-(dimethylamino)piperidin-1-yl]-1H-imidazo[4,5-b]pyridine-2-carbonyl]-2-(1,3,5-trimethylpyrazol-4-yl)pyridine-3-carbonitrile;methyl 5-cyano-6-(1,3,5-trimethylpyrazol-4-yl)pyridine-2-carboxylate

1-[3-[(dimethylamino)methyl]imidazo[4,5-b]pyridin-5-yl]-N,N-dimethylpiperidin-4-amine;6-[5-[4-(dimethylamino)piperidin-1-yl]-1H-imidazo[4,5-b]pyridine-2-carbonyl]-2-(1,3,5-trimethylpyrazol-4-yl)pyridine-3-carbonitrile;methyl 5-cyano-6-(1,3,5-trimethylpyrazol-4-yl)pyridine-2-carboxylate (PubChem CID 157492581) has the molecular formula C56H69N19O3 and a molecular weight of 1056.30 g/mol. Its IUPAC name is 1-[3-[(dimethylamino)methyl]imidazo[4,5-b]pyridin-5-yl]-N,N-dimethylpiperidin-4-amine;6-[5-[4-(dimethylamino)piperidin-1-yl]-1H-imidazo[4,5-b]pyridine-2-carbonyl]-2-(1,3,5-trimethylpyrazol-4-yl)pyridine-3-carbonitrile;methyl 5-cyano-6-(1,3,5-trimethylpyrazol-4-yl)pyridine-2-carboxylate.

Molecular Properties

• Compound Name: 1-[3-[(dimethylamino)methyl]imidazo[4,5-b]pyridin-5-yl]-N,N-dimethylpiperidin-4-amine;6-[5-[4-(dimethylamino)piperidin-1-yl]-1H-imidazo[4,5-b]pyridine-2-carbonyl]-2-(1,3,5-trimethylpyrazol-4-yl)pyridine-3-carbonitrile;methyl 5-cyano-6-(1,3,5-trimethylpyrazol-4-yl)pyridine-2-carboxylate
• PubChem CID: 157492581
• Molecular Formula: C56H69N19O3
• Molecular Weight: 1056.30 g/mol
• Exact Mass: 1055.58
• IUPAC Name: 1-[3-[(dimethylamino)methyl]imidazo[4,5-b]pyridin-5-yl]-N,N-dimethylpiperidin-4-amine;6-[5-[4-(dimethylamino)piperidin-1-yl]-1H-imidazo[4,5-b]pyridine-2-carbonyl]-2-(1,3,5-trimethylpyrazol-4-yl)pyridine-3-carbonitrile;methyl 5-cyano-6-(1,3,5-trimethylpyrazol-4-yl)pyridine-2-carboxylate
• SMILES: CN(C)Cn1cnc2ccc(N3CCC(N(C)C)CC3)nc21.COC(=O)c1ccc(C#N)c(-c2c(C)nn(C)c2C)n1.Cc1nn(C)c(C)c1-c1nc(C(=O)c2nc3nc(N4CCC(N(C)C)CC4)ccc3[nH]2)ccc1C#N
• InChI: InChI=1S/C26H29N9O.C16H26N6.C14H14N4O2/c1-15-22(16(2)34(5)32-15)23-17(14-27)6-7-19(28-23)24(36)26-29-20-8-9-21(30-25(20)31-26)35-12-10-18(11-13-35)33(3)4;1-19(2)12-22-11-17-14-5-6-15(18-16(14)22)21-9-7-13(8-10-21)20(3)4;1-8-12(9(2)18(3)17-8)13-10(7-15)5-6-11(16-13)14(19)20-4/h6-9,18H,10-13H2,1-5H3,(H,29,30,31);5-6,11,13H,7-10,12H2,1-4H3;5-6H,1-4H3
• InChIKey: BXLNIRKVQDXXQW-UHFFFAOYSA-N
• XLogP: 6.24
• TPSA: 240.85 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 21
• Rotatable Bonds: 11
• Heavy Atoms: 78
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1056.30
LogP ≤ 5	6.24
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	21

Frequently Asked Questions

What is the IUPAC name of 1-[3-[(dimethylamino)methyl]imidazo[4,5-b]pyridin-5-yl]-N,N-dimethylpiperidin-4-amine;6-[5-[4-(dimethylamino)piperidin-1-yl]-1H-imidazo[4,5-b]pyridine-2-carbonyl]-2-(1,3,5-trimethylpyrazol-4-yl)pyridine-3-carbonitrile;methyl 5-cyano-6-(1,3,5-trimethylpyrazol-4-yl)pyridine-2-carboxylate?

The IUPAC name of 1-[3-[(dimethylamino)methyl]imidazo[4,5-b]pyridin-5-yl]-N,N-dimethylpiperidin-4-amine;6-[5-[4-(dimethylamino)piperidin-1-yl]-1H-imidazo[4,5-b]pyridine-2-carbonyl]-2-(1,3,5-trimethylpyrazol-4-yl)pyridine-3-carbonitrile;methyl 5-cyano-6-(1,3,5-trimethylpyrazol-4-yl)pyridine-2-carboxylate (CID 157492581) is 1-[3-[(dimethylamino)methyl]imidazo[4,5-b]pyridin-5-yl]-N,N-dimethylpiperidin-4-amine;6-[5-[4-(dimethylamino)piperidin-1-yl]-1H-imidazo[4,5-b]pyridine-2-carbonyl]-2-(1,3,5-trimethylpyrazol-4-yl)pyridine-3-carbonitrile;methyl 5-cyano-6-(1,3,5-trimethylpyrazol-4-yl)pyridine-2-carboxylate.

What is the SMILES notation for 1-[3-[(dimethylamino)methyl]imidazo[4,5-b]pyridin-5-yl]-N,N-dimethylpiperidin-4-amine;6-[5-[4-(dimethylamino)piperidin-1-yl]-1H-imidazo[4,5-b]pyridine-2-carbonyl]-2-(1,3,5-trimethylpyrazol-4-yl)pyridine-3-carbonitrile;methyl 5-cyano-6-(1,3,5-trimethylpyrazol-4-yl)pyridine-2-carboxylate?

The canonical SMILES for 1-[3-[(dimethylamino)methyl]imidazo[4,5-b]pyridin-5-yl]-N,N-dimethylpiperidin-4-amine;6-[5-[4-(dimethylamino)piperidin-1-yl]-1H-imidazo[4,5-b]pyridine-2-carbonyl]-2-(1,3,5-trimethylpyrazol-4-yl)pyridine-3-carbonitrile;methyl 5-cyano-6-(1,3,5-trimethylpyrazol-4-yl)pyridine-2-carboxylate is CN(C)Cn1cnc2ccc(N3CCC(N(C)C)CC3)nc21.COC(=O)c1ccc(C#N)c(-c2c(C)nn(C)c2C)n1.Cc1nn(C)c(C)c1-c1nc(C(=O)c2nc3nc(N4CCC(N(C)C)CC4)ccc3[nH]2)ccc1C#N.

What is the InChIKey of 1-[3-[(dimethylamino)methyl]imidazo[4,5-b]pyridin-5-yl]-N,N-dimethylpiperidin-4-amine;6-[5-[4-(dimethylamino)piperidin-1-yl]-1H-imidazo[4,5-b]pyridine-2-carbonyl]-2-(1,3,5-trimethylpyrazol-4-yl)pyridine-3-carbonitrile;methyl 5-cyano-6-(1,3,5-trimethylpyrazol-4-yl)pyridine-2-carboxylate?

The InChIKey is BXLNIRKVQDXXQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N9O.C16H26N6.C14H14N4O2/c1-15-22(16(2)34(5)32-15)23-17(14-27)6-7-19(28-23)24(36)26-29-20-8-9-21(30-25(20)31-26)35-12-10-18(11-13-35)33(3)4;1-19(2)12-22-11-17-14-5-6-15(18-16(14)22)21-9-7-13(8-10-21)20(3)4;1-8-12(9(2)18(3)17-8)13-10(7-15)5-6-11(16-13)14(19)20-4/h6-9,18H,10-13H2,1-5H3,(H,29,30,31);5-6,11,13H,7-10,12H2,1-4H3;5-6H,1-4H3.

What are the key properties of 1-[3-[(dimethylamino)methyl]imidazo[4,5-b]pyridin-5-yl]-N,N-dimethylpiperidin-4-amine;6-[5-[4-(dimethylamino)piperidin-1-yl]-1H-imidazo[4,5-b]pyridine-2-carbonyl]-2-(1,3,5-trimethylpyrazol-4-yl)pyridine-3-carbonitrile;methyl 5-cyano-6-(1,3,5-trimethylpyrazol-4-yl)pyridine-2-carboxylate?

1-[3-[(dimethylamino)methyl]imidazo[4,5-b]pyridin-5-yl]-N,N-dimethylpiperidin-4-amine;6-[5-[4-(dimethylamino)piperidin-1-yl]-1H-imidazo[4,5-b]pyridine-2-carbonyl]-2-(1,3,5-trimethylpyrazol-4-yl)pyridine-3-carbonitrile;methyl 5-cyano-6-(1,3,5-trimethylpyrazol-4-yl)pyridine-2-carboxylate has a molecular weight of 1056.30 g/mol, XLogP of 6.24, 11 rotatable bonds, 1 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[3-[(dimethylamino)methyl]imidazo[4,5-b]pyridin-5-yl]-N,N-dimethylpiperidin-4-amine;6-[5-[4-(dimethylamino)piperidin-1-yl]-1H-imidazo[4,5-b]pyridine-2-carbonyl]-2-(1,3,5-trimethylpyrazol-4-yl)pyridine-3-carbonitrile;methyl 5-cyano-6-(1,3,5-trimethylpyrazol-4-yl)pyridine-2-carboxylate is sourced from PubChem (CID 157492581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).