(3-methoxyphenyl)-[4-[6-(2-methylphenyl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl]piperazin-1-yl]methanone

C29H31N5O3 — CID 46570445

About (3-methoxyphenyl)-[4-[6-(2-methylphenyl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl]piperazin-1-yl]methanone

(3-methoxyphenyl)-[4-[6-(2-methylphenyl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl]piperazin-1-yl]methanone (PubChem CID 46570445) has the molecular formula C29H31N5O3 and a molecular weight of 497.60 g/mol. Its IUPAC name is (3-methoxyphenyl)-[4-[6-(2-methylphenyl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl]piperazin-1-yl]methanone.

Molecular Properties

• Compound Name: (3-methoxyphenyl)-[4-[6-(2-methylphenyl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl]piperazin-1-yl]methanone
• PubChem CID: 46570445
• Molecular Formula: C29H31N5O3
• Molecular Weight: 497.60 g/mol
• Exact Mass: 497.24
• IUPAC Name: (3-methoxyphenyl)-[4-[6-(2-methylphenyl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl]piperazin-1-yl]methanone
• SMILES: COc1cccc(C(=O)N2CCN(C(=O)c3cc(-c4ccccc4C)nc4c3cnn4C(C)C)CC2)c1
• InChI: InChI=1S/C29H31N5O3/c1-19(2)34-27-25(18-30-34)24(17-26(31-27)23-11-6-5-8-20(23)3)29(36)33-14-12-32(13-15-33)28(35)21-9-7-10-22(16-21)37-4/h5-11,16-19H,12-15H2,1-4H3
• InChIKey: BCZOPSZZHVBMKB-UHFFFAOYSA-N
• XLogP: 4.59
• TPSA: 80.56 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	497.60
LogP ≤ 5	4.59
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of (3-methoxyphenyl)-[4-[6-(2-methylphenyl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl]piperazin-1-yl]methanone?

The IUPAC name of (3-methoxyphenyl)-[4-[6-(2-methylphenyl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl]piperazin-1-yl]methanone (CID 46570445) is (3-methoxyphenyl)-[4-[6-(2-methylphenyl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl]piperazin-1-yl]methanone.

What is the SMILES notation for (3-methoxyphenyl)-[4-[6-(2-methylphenyl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl]piperazin-1-yl]methanone?

The canonical SMILES for (3-methoxyphenyl)-[4-[6-(2-methylphenyl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl]piperazin-1-yl]methanone is COc1cccc(C(=O)N2CCN(C(=O)c3cc(-c4ccccc4C)nc4c3cnn4C(C)C)CC2)c1.

What is the InChIKey of (3-methoxyphenyl)-[4-[6-(2-methylphenyl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl]piperazin-1-yl]methanone?

The InChIKey is BCZOPSZZHVBMKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H31N5O3/c1-19(2)34-27-25(18-30-34)24(17-26(31-27)23-11-6-5-8-20(23)3)29(36)33-14-12-32(13-15-33)28(35)21-9-7-10-22(16-21)37-4/h5-11,16-19H,12-15H2,1-4H3.

What are the key properties of (3-methoxyphenyl)-[4-[6-(2-methylphenyl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl]piperazin-1-yl]methanone?

(3-methoxyphenyl)-[4-[6-(2-methylphenyl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl]piperazin-1-yl]methanone has a molecular weight of 497.60 g/mol, XLogP of 4.59, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (3-methoxyphenyl)-[4-[6-(2-methylphenyl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl]piperazin-1-yl]methanone is sourced from PubChem (CID 46570445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).