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

C22H24N4O3 — CID 22477500

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

N-(1-methoxypropan-2-yl)-2-[5-methoxy-3-(1H-pyrrolo[2,3-b]pyridin-2-yl)indol-1-yl]acetamide (PubChem CID 22477500) has the molecular formula C22H24N4O3 and a molecular weight of 392.46 g/mol. Its IUPAC name is N-(1-methoxypropan-2-yl)-2-[5-methoxy-3-(1H-pyrrolo[2,3-b]pyridin-2-yl)indol-1-yl]acetamide.

Molecular Properties

• Compound Name: N-(1-methoxypropan-2-yl)-2-[5-methoxy-3-(1H-pyrrolo[2,3-b]pyridin-2-yl)indol-1-yl]acetamide
• PubChem CID: 22477500
• Molecular Formula: C22H24N4O3
• Molecular Weight: 392.46 g/mol
• Exact Mass: 392.18
• IUPAC Name: N-(1-methoxypropan-2-yl)-2-[5-methoxy-3-(1H-pyrrolo[2,3-b]pyridin-2-yl)indol-1-yl]acetamide
• SMILES: COCC(C)NC(=O)Cn1cc(-c2cc3cccnc3[nH]2)c2cc(OC)ccc21
• InChI: InChI=1S/C22H24N4O3/c1-14(13-28-2)24-21(27)12-26-11-18(17-10-16(29-3)6-7-20(17)26)19-9-15-5-4-8-23-22(15)25-19/h4-11,14H,12-13H2,1-3H3,(H,23,25)(H,24,27)
• InChIKey: RPQMMWNGEOEELN-UHFFFAOYSA-N
• XLogP: 3.34
• TPSA: 81.17 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	392.46
LogP ≤ 5	3.34
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of N-(1-methoxypropan-2-yl)-2-[5-methoxy-3-(1H-pyrrolo[2,3-b]pyridin-2-yl)indol-1-yl]acetamide (CID 22477500) is N-(1-methoxypropan-2-yl)-2-[5-methoxy-3-(1H-pyrrolo[2,3-b]pyridin-2-yl)indol-1-yl]acetamide.

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

The canonical SMILES for N-(1-methoxypropan-2-yl)-2-[5-methoxy-3-(1H-pyrrolo[2,3-b]pyridin-2-yl)indol-1-yl]acetamide is COCC(C)NC(=O)Cn1cc(-c2cc3cccnc3[nH]2)c2cc(OC)ccc21.

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

The InChIKey is RPQMMWNGEOEELN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O3/c1-14(13-28-2)24-21(27)12-26-11-18(17-10-16(29-3)6-7-20(17)26)19-9-15-5-4-8-23-22(15)25-19/h4-11,14H,12-13H2,1-3H3,(H,23,25)(H,24,27).

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

N-(1-methoxypropan-2-yl)-2-[5-methoxy-3-(1H-pyrrolo[2,3-b]pyridin-2-yl)indol-1-yl]acetamide has a molecular weight of 392.46 g/mol, XLogP of 3.34, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-(1-methoxypropan-2-yl)-2-[5-methoxy-3-(1H-pyrrolo[2,3-b]pyridin-2-yl)indol-1-yl]acetamide is sourced from PubChem (CID 22477500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).