2-(5,6-dimethoxy-3-pyridinyl)-6-[1-[(1-methylpyrazol-3-yl)methyl]pyrazol-4-yl]pyrrolo[3,4-b]pyridin-5-ol

C22H21N7O3 — CID 137117830

About 2-(5,6-dimethoxy-3-pyridinyl)-6-[1-[(1-methylpyrazol-3-yl)methyl]pyrazol-4-yl]pyrrolo[3,4-b]pyridin-5-ol

2-(5,6-dimethoxy-3-pyridinyl)-6-[1-[(1-methylpyrazol-3-yl)methyl]pyrazol-4-yl]pyrrolo[3,4-b]pyridin-5-ol (PubChem CID 137117830) has the molecular formula C22H21N7O3 and a molecular weight of 431.46 g/mol. Its IUPAC name is 2-(5,6-dimethoxy-3-pyridinyl)-6-[1-[(1-methylpyrazol-3-yl)methyl]pyrazol-4-yl]pyrrolo[3,4-b]pyridin-5-ol.

Molecular Properties

• Compound Name: 2-(5,6-dimethoxy-3-pyridinyl)-6-[1-[(1-methylpyrazol-3-yl)methyl]pyrazol-4-yl]pyrrolo[3,4-b]pyridin-5-ol
• PubChem CID: 137117830
• Molecular Formula: C22H21N7O3
• Molecular Weight: 431.46 g/mol
• Exact Mass: 431.17
• IUPAC Name: 2-(5,6-dimethoxy-3-pyridinyl)-6-[1-[(1-methylpyrazol-3-yl)methyl]pyrazol-4-yl]pyrrolo[3,4-b]pyridin-5-ol
• SMILES: COc1cc(-c2ccc3c(O)n(-c4cnn(Cc5ccn(C)n5)c4)cc3n2)cnc1OC
• InChI: InChI=1S/C22H21N7O3/c1-27-7-6-15(26-27)11-28-12-16(10-24-28)29-13-19-17(22(29)30)4-5-18(25-19)14-8-20(31-2)21(32-3)23-9-14/h4-10,12-13,30H,11H2,1-3H3
• InChIKey: FBIJNRNEDKBOAE-UHFFFAOYSA-N
• XLogP: 2.79
• TPSA: 105.04 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 10
• Rotatable Bonds: 6
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	431.46
LogP ≤ 5	2.79
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 2-(5,6-dimethoxy-3-pyridinyl)-6-[1-[(1-methylpyrazol-3-yl)methyl]pyrazol-4-yl]pyrrolo[3,4-b]pyridin-5-ol?

The IUPAC name of 2-(5,6-dimethoxy-3-pyridinyl)-6-[1-[(1-methylpyrazol-3-yl)methyl]pyrazol-4-yl]pyrrolo[3,4-b]pyridin-5-ol (CID 137117830) is 2-(5,6-dimethoxy-3-pyridinyl)-6-[1-[(1-methylpyrazol-3-yl)methyl]pyrazol-4-yl]pyrrolo[3,4-b]pyridin-5-ol.

What is the SMILES notation for 2-(5,6-dimethoxy-3-pyridinyl)-6-[1-[(1-methylpyrazol-3-yl)methyl]pyrazol-4-yl]pyrrolo[3,4-b]pyridin-5-ol?

The canonical SMILES for 2-(5,6-dimethoxy-3-pyridinyl)-6-[1-[(1-methylpyrazol-3-yl)methyl]pyrazol-4-yl]pyrrolo[3,4-b]pyridin-5-ol is COc1cc(-c2ccc3c(O)n(-c4cnn(Cc5ccn(C)n5)c4)cc3n2)cnc1OC.

What is the InChIKey of 2-(5,6-dimethoxy-3-pyridinyl)-6-[1-[(1-methylpyrazol-3-yl)methyl]pyrazol-4-yl]pyrrolo[3,4-b]pyridin-5-ol?

The InChIKey is FBIJNRNEDKBOAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N7O3/c1-27-7-6-15(26-27)11-28-12-16(10-24-28)29-13-19-17(22(29)30)4-5-18(25-19)14-8-20(31-2)21(32-3)23-9-14/h4-10,12-13,30H,11H2,1-3H3.

What are the key properties of 2-(5,6-dimethoxy-3-pyridinyl)-6-[1-[(1-methylpyrazol-3-yl)methyl]pyrazol-4-yl]pyrrolo[3,4-b]pyridin-5-ol?

2-(5,6-dimethoxy-3-pyridinyl)-6-[1-[(1-methylpyrazol-3-yl)methyl]pyrazol-4-yl]pyrrolo[3,4-b]pyridin-5-ol has a molecular weight of 431.46 g/mol, XLogP of 2.79, 6 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(5,6-dimethoxy-3-pyridinyl)-6-[1-[(1-methylpyrazol-3-yl)methyl]pyrazol-4-yl]pyrrolo[3,4-b]pyridin-5-ol is sourced from PubChem (CID 137117830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).