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

C26H20N6O2 — CID 137041494

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

N-[5-[3-[4-(furan-3-yl)-1H-indol-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]propanamide (PubChem CID 137041494) has the molecular formula C26H20N6O2 and a molecular weight of 448.49 g/mol. Its IUPAC name is N-[5-[3-[4-(furan-3-yl)-1H-indol-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]propanamide.

Molecular Properties

• Compound Name: N-[5-[3-[4-(furan-3-yl)-1H-indol-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]propanamide
• PubChem CID: 137041494
• Molecular Formula: C26H20N6O2
• Molecular Weight: 448.49 g/mol
• Exact Mass: 448.16
• IUPAC Name: N-[5-[3-[4-(furan-3-yl)-1H-indol-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]propanamide
• SMILES: CCC(=O)Nc1cncc(-c2cnc3n[nH]c(-c4cc5c(-c6ccoc6)cccc5[nH]4)c3c2)c1
• InChI: InChI=1S/C26H20N6O2/c1-2-24(33)29-18-8-16(11-27-13-18)17-9-21-25(31-32-26(21)28-12-17)23-10-20-19(15-6-7-34-14-15)4-3-5-22(20)30-23/h3-14,30H,2H2,1H3,(H,29,33)(H,28,31,32)
• InChIKey: KGABJAJLZIIBEQ-UHFFFAOYSA-N
• XLogP: 5.78
• TPSA: 112.49 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	448.49
LogP ≤ 5	5.78
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of N-[5-[3-[4-(furan-3-yl)-1H-indol-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]propanamide (CID 137041494) is N-[5-[3-[4-(furan-3-yl)-1H-indol-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]propanamide.

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

The canonical SMILES for N-[5-[3-[4-(furan-3-yl)-1H-indol-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]propanamide is CCC(=O)Nc1cncc(-c2cnc3n[nH]c(-c4cc5c(-c6ccoc6)cccc5[nH]4)c3c2)c1.

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

The InChIKey is KGABJAJLZIIBEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20N6O2/c1-2-24(33)29-18-8-16(11-27-13-18)17-9-21-25(31-32-26(21)28-12-17)23-10-20-19(15-6-7-34-14-15)4-3-5-22(20)30-23/h3-14,30H,2H2,1H3,(H,29,33)(H,28,31,32).

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

N-[5-[3-[4-(furan-3-yl)-1H-indol-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]propanamide has a molecular weight of 448.49 g/mol, XLogP of 5.78, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-[3-[4-(furan-3-yl)-1H-indol-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]propanamide is sourced from PubChem (CID 137041494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).