N-benzyl-2-[5-methoxy-3-(1H-pyrrolo[2,3-b]pyridin-2-yl)indol-1-yl]propanamide

C26H24N4O2 — CID 90999703

About N-benzyl-2-[5-methoxy-3-(1H-pyrrolo[2,3-b]pyridin-2-yl)indol-1-yl]propanamide

N-benzyl-2-[5-methoxy-3-(1H-pyrrolo[2,3-b]pyridin-2-yl)indol-1-yl]propanamide (PubChem CID 90999703) has the molecular formula C26H24N4O2 and a molecular weight of 424.50 g/mol. Its IUPAC name is N-benzyl-2-[5-methoxy-3-(1H-pyrrolo[2,3-b]pyridin-2-yl)indol-1-yl]propanamide.

Molecular Properties

• Compound Name: N-benzyl-2-[5-methoxy-3-(1H-pyrrolo[2,3-b]pyridin-2-yl)indol-1-yl]propanamide
• PubChem CID: 90999703
• Molecular Formula: C26H24N4O2
• Molecular Weight: 424.50 g/mol
• Exact Mass: 424.19
• IUPAC Name: N-benzyl-2-[5-methoxy-3-(1H-pyrrolo[2,3-b]pyridin-2-yl)indol-1-yl]propanamide
• SMILES: COc1ccc2c(c1)c(-c1cc3cccnc3[nH]1)cn2C(C)C(=O)NCc1ccccc1
• InChI: InChI=1S/C26H24N4O2/c1-17(26(31)28-15-18-7-4-3-5-8-18)30-16-22(21-14-20(32-2)10-11-24(21)30)23-13-19-9-6-12-27-25(19)29-23/h3-14,16-17H,15H2,1-2H3,(H,27,29)(H,28,31)
• InChIKey: YYXWNZHAVFQJIY-UHFFFAOYSA-N
• XLogP: 5.07
• TPSA: 71.94 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	424.50
LogP ≤ 5	5.07
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-[5-methoxy-3-(1H-pyrrolo[2,3-b]pyridin-2-yl)indol-1-yl]propanamide?

The IUPAC name of N-benzyl-2-[5-methoxy-3-(1H-pyrrolo[2,3-b]pyridin-2-yl)indol-1-yl]propanamide (CID 90999703) is N-benzyl-2-[5-methoxy-3-(1H-pyrrolo[2,3-b]pyridin-2-yl)indol-1-yl]propanamide.

What is the SMILES notation for N-benzyl-2-[5-methoxy-3-(1H-pyrrolo[2,3-b]pyridin-2-yl)indol-1-yl]propanamide?

The canonical SMILES for N-benzyl-2-[5-methoxy-3-(1H-pyrrolo[2,3-b]pyridin-2-yl)indol-1-yl]propanamide is COc1ccc2c(c1)c(-c1cc3cccnc3[nH]1)cn2C(C)C(=O)NCc1ccccc1.

What is the InChIKey of N-benzyl-2-[5-methoxy-3-(1H-pyrrolo[2,3-b]pyridin-2-yl)indol-1-yl]propanamide?

The InChIKey is YYXWNZHAVFQJIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N4O2/c1-17(26(31)28-15-18-7-4-3-5-8-18)30-16-22(21-14-20(32-2)10-11-24(21)30)23-13-19-9-6-12-27-25(19)29-23/h3-14,16-17H,15H2,1-2H3,(H,27,29)(H,28,31).

What are the key properties of N-benzyl-2-[5-methoxy-3-(1H-pyrrolo[2,3-b]pyridin-2-yl)indol-1-yl]propanamide?

N-benzyl-2-[5-methoxy-3-(1H-pyrrolo[2,3-b]pyridin-2-yl)indol-1-yl]propanamide has a molecular weight of 424.50 g/mol, XLogP of 5.07, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-benzyl-2-[5-methoxy-3-(1H-pyrrolo[2,3-b]pyridin-2-yl)indol-1-yl]propanamide is sourced from PubChem (CID 90999703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).