6-methoxy-7-[6-(1-methylpiperidin-4-yl)-1H-benzimidazol-2-yl]-2-(4-methyl-3-pyridinyl)-1H-pyrrolo[3,2-c]pyridine-3-carbonitrile

C28H27N7O — CID 166162069

About 6-methoxy-7-[6-(1-methylpiperidin-4-yl)-1H-benzimidazol-2-yl]-2-(4-methyl-3-pyridinyl)-1H-pyrrolo[3,2-c]pyridine-3-carbonitrile

6-methoxy-7-[6-(1-methylpiperidin-4-yl)-1H-benzimidazol-2-yl]-2-(4-methyl-3-pyridinyl)-1H-pyrrolo[3,2-c]pyridine-3-carbonitrile (PubChem CID 166162069) has the molecular formula C28H27N7O and a molecular weight of 477.57 g/mol. Its IUPAC name is 6-methoxy-7-[6-(1-methylpiperidin-4-yl)-1H-benzimidazol-2-yl]-2-(4-methyl-3-pyridinyl)-1H-pyrrolo[3,2-c]pyridine-3-carbonitrile.

Molecular Properties

• Compound Name: 6-methoxy-7-[6-(1-methylpiperidin-4-yl)-1H-benzimidazol-2-yl]-2-(4-methyl-3-pyridinyl)-1H-pyrrolo[3,2-c]pyridine-3-carbonitrile
• PubChem CID: 166162069
• Molecular Formula: C28H27N7O
• Molecular Weight: 477.57 g/mol
• Exact Mass: 477.23
• IUPAC Name: 6-methoxy-7-[6-(1-methylpiperidin-4-yl)-1H-benzimidazol-2-yl]-2-(4-methyl-3-pyridinyl)-1H-pyrrolo[3,2-c]pyridine-3-carbonitrile
• SMILES: COc1ncc2c(C#N)c(-c3cnccc3C)[nH]c2c1-c1nc2ccc(C3CCN(C)CC3)cc2[nH]1
• InChI: InChI=1S/C28H27N7O/c1-16-6-9-30-14-20(16)25-19(13-29)21-15-31-28(36-3)24(26(21)34-25)27-32-22-5-4-18(12-23(22)33-27)17-7-10-35(2)11-8-17/h4-6,9,12,14-15,17,34H,7-8,10-11H2,1-3H3,(H,32,33)
• InChIKey: DTJGZWVHVLKDPD-UHFFFAOYSA-N
• XLogP: 5.17
• TPSA: 106.51 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	477.57
LogP ≤ 5	5.17
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-7-[6-(1-methylpiperidin-4-yl)-1H-benzimidazol-2-yl]-2-(4-methyl-3-pyridinyl)-1H-pyrrolo[3,2-c]pyridine-3-carbonitrile?

The IUPAC name of 6-methoxy-7-[6-(1-methylpiperidin-4-yl)-1H-benzimidazol-2-yl]-2-(4-methyl-3-pyridinyl)-1H-pyrrolo[3,2-c]pyridine-3-carbonitrile (CID 166162069) is 6-methoxy-7-[6-(1-methylpiperidin-4-yl)-1H-benzimidazol-2-yl]-2-(4-methyl-3-pyridinyl)-1H-pyrrolo[3,2-c]pyridine-3-carbonitrile.

What is the SMILES notation for 6-methoxy-7-[6-(1-methylpiperidin-4-yl)-1H-benzimidazol-2-yl]-2-(4-methyl-3-pyridinyl)-1H-pyrrolo[3,2-c]pyridine-3-carbonitrile?

The canonical SMILES for 6-methoxy-7-[6-(1-methylpiperidin-4-yl)-1H-benzimidazol-2-yl]-2-(4-methyl-3-pyridinyl)-1H-pyrrolo[3,2-c]pyridine-3-carbonitrile is COc1ncc2c(C#N)c(-c3cnccc3C)[nH]c2c1-c1nc2ccc(C3CCN(C)CC3)cc2[nH]1.

What is the InChIKey of 6-methoxy-7-[6-(1-methylpiperidin-4-yl)-1H-benzimidazol-2-yl]-2-(4-methyl-3-pyridinyl)-1H-pyrrolo[3,2-c]pyridine-3-carbonitrile?

The InChIKey is DTJGZWVHVLKDPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H27N7O/c1-16-6-9-30-14-20(16)25-19(13-29)21-15-31-28(36-3)24(26(21)34-25)27-32-22-5-4-18(12-23(22)33-27)17-7-10-35(2)11-8-17/h4-6,9,12,14-15,17,34H,7-8,10-11H2,1-3H3,(H,32,33).

What are the key properties of 6-methoxy-7-[6-(1-methylpiperidin-4-yl)-1H-benzimidazol-2-yl]-2-(4-methyl-3-pyridinyl)-1H-pyrrolo[3,2-c]pyridine-3-carbonitrile?

6-methoxy-7-[6-(1-methylpiperidin-4-yl)-1H-benzimidazol-2-yl]-2-(4-methyl-3-pyridinyl)-1H-pyrrolo[3,2-c]pyridine-3-carbonitrile has a molecular weight of 477.57 g/mol, XLogP of 5.17, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 6-methoxy-7-[6-(1-methylpiperidin-4-yl)-1H-benzimidazol-2-yl]-2-(4-methyl-3-pyridinyl)-1H-pyrrolo[3,2-c]pyridine-3-carbonitrile is sourced from PubChem (CID 166162069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).