N,N-dimethyl-5-[3-[5-methyl-4-[(1E)-1-piperidin-1-ylbuta-1,3-dienyl]-1H-imidazol-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]pyridin-3-amine;ethane;3-[5-methyl-4-[(1E)-1-piperidin-1-ylbuta-1,3-dienyl]-1H-imidazol-2-yl]-5-pyridin-3-yl-1H-pyrazolo[4,3-b]pyridine

C54H67N15 — CID 145253380

About N,N-dimethyl-5-[3-[5-methyl-4-[(1E)-1-piperidin-1-ylbuta-1,3-dienyl]-1H-imidazol-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]pyridin-3-amine;ethane;3-[5-methyl-4-[(1E)-1-piperidin-1-ylbuta-1,3-dienyl]-1H-imidazol-2-yl]-5-pyridin-3-yl-1H-pyrazolo[4,3-b]pyridine

N,N-dimethyl-5-[3-[5-methyl-4-[(1E)-1-piperidin-1-ylbuta-1,3-dienyl]-1H-imidazol-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]pyridin-3-amine;ethane;3-[5-methyl-4-[(1E)-1-piperidin-1-ylbuta-1,3-dienyl]-1H-imidazol-2-yl]-5-pyridin-3-yl-1H-pyrazolo[4,3-b]pyridine (PubChem CID 145253380) has the molecular formula C54H67N15 and a molecular weight of 926.24 g/mol. Its IUPAC name is N,N-dimethyl-5-[3-[5-methyl-4-[(1E)-1-piperidin-1-ylbuta-1,3-dienyl]-1H-imidazol-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]pyridin-3-amine;ethane;3-[5-methyl-4-[(1E)-1-piperidin-1-ylbuta-1,3-dienyl]-1H-imidazol-2-yl]-5-pyridin-3-yl-1H-pyrazolo[4,3-b]pyridine.

Molecular Properties

• Compound Name: N,N-dimethyl-5-[3-[5-methyl-4-[(1E)-1-piperidin-1-ylbuta-1,3-dienyl]-1H-imidazol-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]pyridin-3-amine;ethane;3-[5-methyl-4-[(1E)-1-piperidin-1-ylbuta-1,3-dienyl]-1H-imidazol-2-yl]-5-pyridin-3-yl-1H-pyrazolo[4,3-b]pyridine
• PubChem CID: 145253380
• Molecular Formula: C54H67N15
• Molecular Weight: 926.24 g/mol
• Exact Mass: 925.57
• IUPAC Name: N,N-dimethyl-5-[3-[5-methyl-4-[(1E)-1-piperidin-1-ylbuta-1,3-dienyl]-1H-imidazol-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]pyridin-3-amine;ethane;3-[5-methyl-4-[(1E)-1-piperidin-1-ylbuta-1,3-dienyl]-1H-imidazol-2-yl]-5-pyridin-3-yl-1H-pyrazolo[4,3-b]pyridine
• SMILES: C=C/C=C(\c1nc(-c2n[nH]c3ccc(-c4cccnc4)nc23)[nH]c1C)N1CCCCC1.C=C/C=C(\c1nc(-c2n[nH]c3ccc(-c4cncc(N(C)C)c4)nc23)[nH]c1C)N1CCCCC1.CC.CC
• InChI: InChI=1S/C26H30N8.C24H25N7.2C2H6/c1-5-9-22(34-12-7-6-8-13-34)23-17(2)28-26(30-23)25-24-21(31-32-25)11-10-20(29-24)18-14-19(33(3)4)16-27-15-18;1-3-8-20(31-13-5-4-6-14-31)21-16(2)26-24(28-21)23-22-19(29-30-23)11-10-18(27-22)17-9-7-12-25-15-17;2*1-2/h5,9-11,14-16H,1,6-8,12-13H2,2-4H3,(H,28,30)(H,31,32);3,7-12,15H,1,4-6,13-14H2,2H3,(H,26,28)(H,29,30);2*1-2H3/b22-9+;20-8+
• InChIKey: QGXNMVGQROFGDT-KRHJKOPZSA-N
• XLogP: 11.58
• TPSA: 176.00 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 11
• Rotatable Bonds: 11
• Heavy Atoms: 69
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	926.24
LogP ≤ 5	11.58
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-5-[3-[5-methyl-4-[(1E)-1-piperidin-1-ylbuta-1,3-dienyl]-1H-imidazol-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]pyridin-3-amine;ethane;3-[5-methyl-4-[(1E)-1-piperidin-1-ylbuta-1,3-dienyl]-1H-imidazol-2-yl]-5-pyridin-3-yl-1H-pyrazolo[4,3-b]pyridine?

The IUPAC name of N,N-dimethyl-5-[3-[5-methyl-4-[(1E)-1-piperidin-1-ylbuta-1,3-dienyl]-1H-imidazol-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]pyridin-3-amine;ethane;3-[5-methyl-4-[(1E)-1-piperidin-1-ylbuta-1,3-dienyl]-1H-imidazol-2-yl]-5-pyridin-3-yl-1H-pyrazolo[4,3-b]pyridine (CID 145253380) is N,N-dimethyl-5-[3-[5-methyl-4-[(1E)-1-piperidin-1-ylbuta-1,3-dienyl]-1H-imidazol-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]pyridin-3-amine;ethane;3-[5-methyl-4-[(1E)-1-piperidin-1-ylbuta-1,3-dienyl]-1H-imidazol-2-yl]-5-pyridin-3-yl-1H-pyrazolo[4,3-b]pyridine.

What is the SMILES notation for N,N-dimethyl-5-[3-[5-methyl-4-[(1E)-1-piperidin-1-ylbuta-1,3-dienyl]-1H-imidazol-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]pyridin-3-amine;ethane;3-[5-methyl-4-[(1E)-1-piperidin-1-ylbuta-1,3-dienyl]-1H-imidazol-2-yl]-5-pyridin-3-yl-1H-pyrazolo[4,3-b]pyridine?

The canonical SMILES for N,N-dimethyl-5-[3-[5-methyl-4-[(1E)-1-piperidin-1-ylbuta-1,3-dienyl]-1H-imidazol-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]pyridin-3-amine;ethane;3-[5-methyl-4-[(1E)-1-piperidin-1-ylbuta-1,3-dienyl]-1H-imidazol-2-yl]-5-pyridin-3-yl-1H-pyrazolo[4,3-b]pyridine is C=C/C=C(\c1nc(-c2n[nH]c3ccc(-c4cccnc4)nc23)[nH]c1C)N1CCCCC1.C=C/C=C(\c1nc(-c2n[nH]c3ccc(-c4cncc(N(C)C)c4)nc23)[nH]c1C)N1CCCCC1.CC.CC.

What is the InChIKey of N,N-dimethyl-5-[3-[5-methyl-4-[(1E)-1-piperidin-1-ylbuta-1,3-dienyl]-1H-imidazol-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]pyridin-3-amine;ethane;3-[5-methyl-4-[(1E)-1-piperidin-1-ylbuta-1,3-dienyl]-1H-imidazol-2-yl]-5-pyridin-3-yl-1H-pyrazolo[4,3-b]pyridine?

The InChIKey is QGXNMVGQROFGDT-KRHJKOPZSA-N. The full InChI is InChI=1S/C26H30N8.C24H25N7.2C2H6/c1-5-9-22(34-12-7-6-8-13-34)23-17(2)28-26(30-23)25-24-21(31-32-25)11-10-20(29-24)18-14-19(33(3)4)16-27-15-18;1-3-8-20(31-13-5-4-6-14-31)21-16(2)26-24(28-21)23-22-19(29-30-23)11-10-18(27-22)17-9-7-12-25-15-17;2*1-2/h5,9-11,14-16H,1,6-8,12-13H2,2-4H3,(H,28,30)(H,31,32);3,7-12,15H,1,4-6,13-14H2,2H3,(H,26,28)(H,29,30);2*1-2H3/b22-9+;20-8+;;.

What are the key properties of N,N-dimethyl-5-[3-[5-methyl-4-[(1E)-1-piperidin-1-ylbuta-1,3-dienyl]-1H-imidazol-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]pyridin-3-amine;ethane;3-[5-methyl-4-[(1E)-1-piperidin-1-ylbuta-1,3-dienyl]-1H-imidazol-2-yl]-5-pyridin-3-yl-1H-pyrazolo[4,3-b]pyridine?

N,N-dimethyl-5-[3-[5-methyl-4-[(1E)-1-piperidin-1-ylbuta-1,3-dienyl]-1H-imidazol-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]pyridin-3-amine;ethane;3-[5-methyl-4-[(1E)-1-piperidin-1-ylbuta-1,3-dienyl]-1H-imidazol-2-yl]-5-pyridin-3-yl-1H-pyrazolo[4,3-b]pyridine has a molecular weight of 926.24 g/mol, XLogP of 11.58, 11 rotatable bonds, 4 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for N,N-dimethyl-5-[3-[5-methyl-4-[(1E)-1-piperidin-1-ylbuta-1,3-dienyl]-1H-imidazol-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]pyridin-3-amine;ethane;3-[5-methyl-4-[(1E)-1-piperidin-1-ylbuta-1,3-dienyl]-1H-imidazol-2-yl]-5-pyridin-3-yl-1H-pyrazolo[4,3-b]pyridine is sourced from PubChem (CID 145253380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).