N-(3-methylpent-1-en-2-yl)-5-[3-[5-methyl-4-[(1Z)-1-pyridin-4-ylbuta-1,3-dienyl]-1H-pyrrol-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]pyridin-3-amine;5-(4-methyl-3-pyridinyl)-3-[5-methyl-4-[(1Z)-1-pyridin-4-ylbuta-1,3-dienyl]-1H-pyrrol-2-yl]-1H-pyrazolo[3,4-c]pyridine

C57H53N13 — CID 145246895

About N-(3-methylpent-1-en-2-yl)-5-[3-[5-methyl-4-[(1Z)-1-pyridin-4-ylbuta-1,3-dienyl]-1H-pyrrol-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]pyridin-3-amine;5-(4-methyl-3-pyridinyl)-3-[5-methyl-4-[(1Z)-1-pyridin-4-ylbuta-1,3-dienyl]-1H-pyrrol-2-yl]-1H-pyrazolo[3,4-c]pyridine

N-(3-methylpent-1-en-2-yl)-5-[3-[5-methyl-4-[(1Z)-1-pyridin-4-ylbuta-1,3-dienyl]-1H-pyrrol-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]pyridin-3-amine;5-(4-methyl-3-pyridinyl)-3-[5-methyl-4-[(1Z)-1-pyridin-4-ylbuta-1,3-dienyl]-1H-pyrrol-2-yl]-1H-pyrazolo[3,4-c]pyridine (PubChem CID 145246895) has the molecular formula C57H53N13 and a molecular weight of 920.14 g/mol. Its IUPAC name is N-(3-methylpent-1-en-2-yl)-5-[3-[5-methyl-4-[(1Z)-1-pyridin-4-ylbuta-1,3-dienyl]-1H-pyrrol-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]pyridin-3-amine;5-(4-methyl-3-pyridinyl)-3-[5-methyl-4-[(1Z)-1-pyridin-4-ylbuta-1,3-dienyl]-1H-pyrrol-2-yl]-1H-pyrazolo[3,4-c]pyridine.

Molecular Properties

• Compound Name: N-(3-methylpent-1-en-2-yl)-5-[3-[5-methyl-4-[(1Z)-1-pyridin-4-ylbuta-1,3-dienyl]-1H-pyrrol-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]pyridin-3-amine;5-(4-methyl-3-pyridinyl)-3-[5-methyl-4-[(1Z)-1-pyridin-4-ylbuta-1,3-dienyl]-1H-pyrrol-2-yl]-1H-pyrazolo[3,4-c]pyridine
• PubChem CID: 145246895
• Molecular Formula: C57H53N13
• Molecular Weight: 920.14 g/mol
• Exact Mass: 919.45
• IUPAC Name: N-(3-methylpent-1-en-2-yl)-5-[3-[5-methyl-4-[(1Z)-1-pyridin-4-ylbuta-1,3-dienyl]-1H-pyrrol-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]pyridin-3-amine;5-(4-methyl-3-pyridinyl)-3-[5-methyl-4-[(1Z)-1-pyridin-4-ylbuta-1,3-dienyl]-1H-pyrrol-2-yl]-1H-pyrazolo[3,4-c]pyridine
• SMILES: C=C/C=C(/c1ccncc1)c1cc(-c2n[nH]c3cnc(-c4cncc(NC(=C)C(C)CC)c4)cc23)[nH]c1C.C=C/C=C(/c1ccncc1)c1cc(-c2n[nH]c3cnc(-c4cnccc4C)cc23)[nH]c1C
• InChI: InChI=1S/C31H31N7.C26H22N6/c1-6-8-25(22-9-11-32-12-10-22)26-14-29(36-21(26)5)31-27-15-28(34-18-30(27)37-38-31)23-13-24(17-33-16-23)35-20(4)19(3)7-2;1-4-5-19(18-7-10-27-11-8-18)20-12-24(30-17(20)3)26-21-13-23(29-15-25(21)31-32-26)22-14-28-9-6-16(22)2/h6,8-19,35-36H,1,4,7H2,2-3,5H3,(H,37,38);4-15,30H,1H2,2-3H3,(H,31,32)/b25-8-;19-5-
• InChIKey: OPUAKVMMGRWNQU-QPZQKZEUSA-N
• XLogP: 12.95
• TPSA: 178.31 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 9
• Rotatable Bonds: 14
• Heavy Atoms: 70
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	920.14
LogP ≤ 5	12.95
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-(3-methylpent-1-en-2-yl)-5-[3-[5-methyl-4-[(1Z)-1-pyridin-4-ylbuta-1,3-dienyl]-1H-pyrrol-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]pyridin-3-amine;5-(4-methyl-3-pyridinyl)-3-[5-methyl-4-[(1Z)-1-pyridin-4-ylbuta-1,3-dienyl]-1H-pyrrol-2-yl]-1H-pyrazolo[3,4-c]pyridine?

The IUPAC name of N-(3-methylpent-1-en-2-yl)-5-[3-[5-methyl-4-[(1Z)-1-pyridin-4-ylbuta-1,3-dienyl]-1H-pyrrol-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]pyridin-3-amine;5-(4-methyl-3-pyridinyl)-3-[5-methyl-4-[(1Z)-1-pyridin-4-ylbuta-1,3-dienyl]-1H-pyrrol-2-yl]-1H-pyrazolo[3,4-c]pyridine (CID 145246895) is N-(3-methylpent-1-en-2-yl)-5-[3-[5-methyl-4-[(1Z)-1-pyridin-4-ylbuta-1,3-dienyl]-1H-pyrrol-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]pyridin-3-amine;5-(4-methyl-3-pyridinyl)-3-[5-methyl-4-[(1Z)-1-pyridin-4-ylbuta-1,3-dienyl]-1H-pyrrol-2-yl]-1H-pyrazolo[3,4-c]pyridine.

What is the SMILES notation for N-(3-methylpent-1-en-2-yl)-5-[3-[5-methyl-4-[(1Z)-1-pyridin-4-ylbuta-1,3-dienyl]-1H-pyrrol-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]pyridin-3-amine;5-(4-methyl-3-pyridinyl)-3-[5-methyl-4-[(1Z)-1-pyridin-4-ylbuta-1,3-dienyl]-1H-pyrrol-2-yl]-1H-pyrazolo[3,4-c]pyridine?

The canonical SMILES for N-(3-methylpent-1-en-2-yl)-5-[3-[5-methyl-4-[(1Z)-1-pyridin-4-ylbuta-1,3-dienyl]-1H-pyrrol-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]pyridin-3-amine;5-(4-methyl-3-pyridinyl)-3-[5-methyl-4-[(1Z)-1-pyridin-4-ylbuta-1,3-dienyl]-1H-pyrrol-2-yl]-1H-pyrazolo[3,4-c]pyridine is C=C/C=C(/c1ccncc1)c1cc(-c2n[nH]c3cnc(-c4cncc(NC(=C)C(C)CC)c4)cc23)[nH]c1C.C=C/C=C(/c1ccncc1)c1cc(-c2n[nH]c3cnc(-c4cnccc4C)cc23)[nH]c1C.

What is the InChIKey of N-(3-methylpent-1-en-2-yl)-5-[3-[5-methyl-4-[(1Z)-1-pyridin-4-ylbuta-1,3-dienyl]-1H-pyrrol-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]pyridin-3-amine;5-(4-methyl-3-pyridinyl)-3-[5-methyl-4-[(1Z)-1-pyridin-4-ylbuta-1,3-dienyl]-1H-pyrrol-2-yl]-1H-pyrazolo[3,4-c]pyridine?

The InChIKey is OPUAKVMMGRWNQU-QPZQKZEUSA-N. The full InChI is InChI=1S/C31H31N7.C26H22N6/c1-6-8-25(22-9-11-32-12-10-22)26-14-29(36-21(26)5)31-27-15-28(34-18-30(27)37-38-31)23-13-24(17-33-16-23)35-20(4)19(3)7-2;1-4-5-19(18-7-10-27-11-8-18)20-12-24(30-17(20)3)26-21-13-23(29-15-25(21)31-32-26)22-14-28-9-6-16(22)2/h6,8-19,35-36H,1,4,7H2,2-3,5H3,(H,37,38);4-15,30H,1H2,2-3H3,(H,31,32)/b25-8-;19-5-.

What are the key properties of N-(3-methylpent-1-en-2-yl)-5-[3-[5-methyl-4-[(1Z)-1-pyridin-4-ylbuta-1,3-dienyl]-1H-pyrrol-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]pyridin-3-amine;5-(4-methyl-3-pyridinyl)-3-[5-methyl-4-[(1Z)-1-pyridin-4-ylbuta-1,3-dienyl]-1H-pyrrol-2-yl]-1H-pyrazolo[3,4-c]pyridine?

N-(3-methylpent-1-en-2-yl)-5-[3-[5-methyl-4-[(1Z)-1-pyridin-4-ylbuta-1,3-dienyl]-1H-pyrrol-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]pyridin-3-amine;5-(4-methyl-3-pyridinyl)-3-[5-methyl-4-[(1Z)-1-pyridin-4-ylbuta-1,3-dienyl]-1H-pyrrol-2-yl]-1H-pyrazolo[3,4-c]pyridine has a molecular weight of 920.14 g/mol, XLogP of 12.95, 14 rotatable bonds, 5 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for N-(3-methylpent-1-en-2-yl)-5-[3-[5-methyl-4-[(1Z)-1-pyridin-4-ylbuta-1,3-dienyl]-1H-pyrrol-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]pyridin-3-amine;5-(4-methyl-3-pyridinyl)-3-[5-methyl-4-[(1Z)-1-pyridin-4-ylbuta-1,3-dienyl]-1H-pyrrol-2-yl]-1H-pyrazolo[3,4-c]pyridine is sourced from PubChem (CID 145246895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).