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

C26H18N6O — CID 137040383

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

N-[5-[3-(1H-indol-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]benzamide (PubChem CID 137040383) has the molecular formula C26H18N6O and a molecular weight of 430.47 g/mol. Its IUPAC name is N-[5-[3-(1H-indol-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]benzamide.

Molecular Properties

• Compound Name: N-[5-[3-(1H-indol-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]benzamide
• PubChem CID: 137040383
• Molecular Formula: C26H18N6O
• Molecular Weight: 430.47 g/mol
• Exact Mass: 430.15
• IUPAC Name: N-[5-[3-(1H-indol-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]benzamide
• SMILES: O=C(Nc1cncc(-c2cnc3n[nH]c(-c4cc5ccccc5[nH]4)c3c2)c1)c1ccccc1
• InChI: InChI=1S/C26H18N6O/c33-26(16-6-2-1-3-7-16)29-20-10-18(13-27-15-20)19-11-21-24(31-32-25(21)28-14-19)23-12-17-8-4-5-9-22(17)30-23/h1-15,30H,(H,29,33)(H,28,31,32)
• InChIKey: DDBNDEUNLZPSTA-UHFFFAOYSA-N
• XLogP: 5.42
• TPSA: 99.35 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	430.47
LogP ≤ 5	5.42
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

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

The IUPAC name of N-[5-[3-(1H-indol-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]benzamide (CID 137040383) is N-[5-[3-(1H-indol-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]benzamide.

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

The canonical SMILES for N-[5-[3-(1H-indol-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]benzamide is O=C(Nc1cncc(-c2cnc3n[nH]c(-c4cc5ccccc5[nH]4)c3c2)c1)c1ccccc1.

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

The InChIKey is DDBNDEUNLZPSTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H18N6O/c33-26(16-6-2-1-3-7-16)29-20-10-18(13-27-15-20)19-11-21-24(31-32-25(21)28-14-19)23-12-17-8-4-5-9-22(17)30-23/h1-15,30H,(H,29,33)(H,28,31,32).

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

N-[5-[3-(1H-indol-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]benzamide has a molecular weight of 430.47 g/mol, XLogP of 5.42, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-[3-(1H-indol-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]benzamide is sourced from PubChem (CID 137040383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).