N,N-dimethyl-1-[5-[3-(4-pyridin-2-yl-1H-benzimidazol-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]methanamine

C26H22N8 — CID 137057382

About N,N-dimethyl-1-[5-[3-(4-pyridin-2-yl-1H-benzimidazol-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]methanamine

N,N-dimethyl-1-[5-[3-(4-pyridin-2-yl-1H-benzimidazol-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]methanamine (PubChem CID 137057382) has the molecular formula C26H22N8 and a molecular weight of 446.52 g/mol. Its IUPAC name is N,N-dimethyl-1-[5-[3-(4-pyridin-2-yl-1H-benzimidazol-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]methanamine.

Molecular Properties

• Compound Name: N,N-dimethyl-1-[5-[3-(4-pyridin-2-yl-1H-benzimidazol-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]methanamine
• PubChem CID: 137057382
• Molecular Formula: C26H22N8
• Molecular Weight: 446.52 g/mol
• Exact Mass: 446.20
• IUPAC Name: N,N-dimethyl-1-[5-[3-(4-pyridin-2-yl-1H-benzimidazol-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]methanamine
• SMILES: CN(C)Cc1cncc(-c2cc3c(-c4nc5c(-c6ccccn6)cccc5[nH]4)n[nH]c3cn2)c1
• InChI: InChI=1S/C26H22N8/c1-34(2)15-16-10-17(13-27-12-16)22-11-19-23(14-29-22)32-33-25(19)26-30-21-8-5-6-18(24(21)31-26)20-7-3-4-9-28-20/h3-14H,15H2,1-2H3,(H,30,31)(H,32,33)
• InChIKey: RRVOWIPNMZLHKR-UHFFFAOYSA-N
• XLogP: 4.69
• TPSA: 99.27 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	446.52
LogP ≤ 5	4.69
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-[5-[3-(4-pyridin-2-yl-1H-benzimidazol-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]methanamine?

The IUPAC name of N,N-dimethyl-1-[5-[3-(4-pyridin-2-yl-1H-benzimidazol-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]methanamine (CID 137057382) is N,N-dimethyl-1-[5-[3-(4-pyridin-2-yl-1H-benzimidazol-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]methanamine.

What is the SMILES notation for N,N-dimethyl-1-[5-[3-(4-pyridin-2-yl-1H-benzimidazol-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]methanamine?

The canonical SMILES for N,N-dimethyl-1-[5-[3-(4-pyridin-2-yl-1H-benzimidazol-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]methanamine is CN(C)Cc1cncc(-c2cc3c(-c4nc5c(-c6ccccn6)cccc5[nH]4)n[nH]c3cn2)c1.

What is the InChIKey of N,N-dimethyl-1-[5-[3-(4-pyridin-2-yl-1H-benzimidazol-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]methanamine?

The InChIKey is RRVOWIPNMZLHKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22N8/c1-34(2)15-16-10-17(13-27-12-16)22-11-19-23(14-29-22)32-33-25(19)26-30-21-8-5-6-18(24(21)31-26)20-7-3-4-9-28-20/h3-14H,15H2,1-2H3,(H,30,31)(H,32,33).

What are the key properties of N,N-dimethyl-1-[5-[3-(4-pyridin-2-yl-1H-benzimidazol-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]methanamine?

N,N-dimethyl-1-[5-[3-(4-pyridin-2-yl-1H-benzimidazol-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]methanamine has a molecular weight of 446.52 g/mol, XLogP of 4.69, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N,N-dimethyl-1-[5-[3-(4-pyridin-2-yl-1H-benzimidazol-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]methanamine is sourced from PubChem (CID 137057382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).