2-(4-methylpiperazin-1-yl)-5-[(5-phenylpyrrolo[2,3-b]pyridin-3-ylidene)methyl]-1H-imidazol-4-ol

C22H22N6O — CID 136649248

About 2-(4-methylpiperazin-1-yl)-5-[(5-phenylpyrrolo[2,3-b]pyridin-3-ylidene)methyl]-1H-imidazol-4-ol

2-(4-methylpiperazin-1-yl)-5-[(5-phenylpyrrolo[2,3-b]pyridin-3-ylidene)methyl]-1H-imidazol-4-ol (PubChem CID 136649248) has the molecular formula C22H22N6O and a molecular weight of 386.46 g/mol. Its IUPAC name is 2-(4-methylpiperazin-1-yl)-5-[(5-phenylpyrrolo[2,3-b]pyridin-3-ylidene)methyl]-1H-imidazol-4-ol.

Molecular Properties

• Compound Name: 2-(4-methylpiperazin-1-yl)-5-[(5-phenylpyrrolo[2,3-b]pyridin-3-ylidene)methyl]-1H-imidazol-4-ol
• PubChem CID: 136649248
• Molecular Formula: C22H22N6O
• Molecular Weight: 386.46 g/mol
• Exact Mass: 386.19
• IUPAC Name: 2-(4-methylpiperazin-1-yl)-5-[(5-phenylpyrrolo[2,3-b]pyridin-3-ylidene)methyl]-1H-imidazol-4-ol
• SMILES: CN1CCN(c2nc(O)c(C=C3C=Nc4ncc(-c5ccccc5)cc43)[nH]2)CC1
• InChI: InChI=1S/C22H22N6O/c1-27-7-9-28(10-8-27)22-25-19(21(29)26-22)12-17-14-24-20-18(17)11-16(13-23-20)15-5-3-2-4-6-15/h2-6,11-14,29H,7-10H2,1H3,(H,25,26)
• InChIKey: MXYRYMWLZWNIDR-UHFFFAOYSA-N
• XLogP: 3.19
• TPSA: 80.64 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 3
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	386.46
LogP ≤ 5	3.19
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylpiperazin-1-yl)-5-[(5-phenylpyrrolo[2,3-b]pyridin-3-ylidene)methyl]-1H-imidazol-4-ol?

The IUPAC name of 2-(4-methylpiperazin-1-yl)-5-[(5-phenylpyrrolo[2,3-b]pyridin-3-ylidene)methyl]-1H-imidazol-4-ol (CID 136649248) is 2-(4-methylpiperazin-1-yl)-5-[(5-phenylpyrrolo[2,3-b]pyridin-3-ylidene)methyl]-1H-imidazol-4-ol.

What is the SMILES notation for 2-(4-methylpiperazin-1-yl)-5-[(5-phenylpyrrolo[2,3-b]pyridin-3-ylidene)methyl]-1H-imidazol-4-ol?

The canonical SMILES for 2-(4-methylpiperazin-1-yl)-5-[(5-phenylpyrrolo[2,3-b]pyridin-3-ylidene)methyl]-1H-imidazol-4-ol is CN1CCN(c2nc(O)c(C=C3C=Nc4ncc(-c5ccccc5)cc43)[nH]2)CC1.

What is the InChIKey of 2-(4-methylpiperazin-1-yl)-5-[(5-phenylpyrrolo[2,3-b]pyridin-3-ylidene)methyl]-1H-imidazol-4-ol?

The InChIKey is MXYRYMWLZWNIDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N6O/c1-27-7-9-28(10-8-27)22-25-19(21(29)26-22)12-17-14-24-20-18(17)11-16(13-23-20)15-5-3-2-4-6-15/h2-6,11-14,29H,7-10H2,1H3,(H,25,26).

What are the key properties of 2-(4-methylpiperazin-1-yl)-5-[(5-phenylpyrrolo[2,3-b]pyridin-3-ylidene)methyl]-1H-imidazol-4-ol?

2-(4-methylpiperazin-1-yl)-5-[(5-phenylpyrrolo[2,3-b]pyridin-3-ylidene)methyl]-1H-imidazol-4-ol has a molecular weight of 386.46 g/mol, XLogP of 3.19, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(4-methylpiperazin-1-yl)-5-[(5-phenylpyrrolo[2,3-b]pyridin-3-ylidene)methyl]-1H-imidazol-4-ol is sourced from PubChem (CID 136649248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).