N-[5-[3-[4-(4-methylpiperazin-1-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]benzamide

C29H26N10O — CID 136944884

About N-[5-[3-[4-(4-methylpiperazin-1-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]benzamide

N-[5-[3-[4-(4-methylpiperazin-1-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]benzamide (PubChem CID 136944884) has the molecular formula C29H26N10O and a molecular weight of 530.60 g/mol. Its IUPAC name is N-[5-[3-[4-(4-methylpiperazin-1-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]benzamide.

Molecular Properties

• Compound Name: N-[5-[3-[4-(4-methylpiperazin-1-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]benzamide
• PubChem CID: 136944884
• Molecular Formula: C29H26N10O
• Molecular Weight: 530.60 g/mol
• Exact Mass: 530.23
• IUPAC Name: N-[5-[3-[4-(4-methylpiperazin-1-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]benzamide
• SMILES: CN1CCN(c2nccc3[nH]c(-c4[nH]nc5ncc(-c6cncc(NC(=O)c7ccccc7)c6)cc45)nc23)CC1
• InChI: InChI=1S/C29H26N10O/c1-38-9-11-39(12-10-38)28-25-23(7-8-31-28)34-27(35-25)24-22-14-20(16-32-26(22)37-36-24)19-13-21(17-30-15-19)33-29(40)18-5-3-2-4-6-18/h2-8,13-17H,9-12H2,1H3,(H,33,40)(H,34,35)(H,32,36,37)
• InChIKey: JKBXJTOLOBJYBA-UHFFFAOYSA-N
• XLogP: 3.96
• TPSA: 131.61 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	530.60
LogP ≤ 5	3.96
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-[5-[3-[4-(4-methylpiperazin-1-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]benzamide?

The IUPAC name of N-[5-[3-[4-(4-methylpiperazin-1-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]benzamide (CID 136944884) is N-[5-[3-[4-(4-methylpiperazin-1-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]benzamide.

What is the SMILES notation for N-[5-[3-[4-(4-methylpiperazin-1-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]benzamide?

The canonical SMILES for N-[5-[3-[4-(4-methylpiperazin-1-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]benzamide is CN1CCN(c2nccc3[nH]c(-c4[nH]nc5ncc(-c6cncc(NC(=O)c7ccccc7)c6)cc45)nc23)CC1.

What is the InChIKey of N-[5-[3-[4-(4-methylpiperazin-1-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]benzamide?

The InChIKey is JKBXJTOLOBJYBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H26N10O/c1-38-9-11-39(12-10-38)28-25-23(7-8-31-28)34-27(35-25)24-22-14-20(16-32-26(22)37-36-24)19-13-21(17-30-15-19)33-29(40)18-5-3-2-4-6-18/h2-8,13-17H,9-12H2,1H3,(H,33,40)(H,34,35)(H,32,36,37).

What are the key properties of N-[5-[3-[4-(4-methylpiperazin-1-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]benzamide?

N-[5-[3-[4-(4-methylpiperazin-1-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]benzamide has a molecular weight of 530.60 g/mol, XLogP of 3.96, 5 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-[3-[4-(4-methylpiperazin-1-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]benzamide is sourced from PubChem (CID 136944884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).