N-(4-amino-2-methylbutan-2-yl)-2-[5-methoxy-3-(1H-pyrrolo[2,3-b]pyridin-2-yl)indol-1-yl]acetamide

C23H27N5O2 — CID 67157851

About N-(4-amino-2-methylbutan-2-yl)-2-[5-methoxy-3-(1H-pyrrolo[2,3-b]pyridin-2-yl)indol-1-yl]acetamide

N-(4-amino-2-methylbutan-2-yl)-2-[5-methoxy-3-(1H-pyrrolo[2,3-b]pyridin-2-yl)indol-1-yl]acetamide (PubChem CID 67157851) has the molecular formula C23H27N5O2 and a molecular weight of 405.50 g/mol. Its IUPAC name is N-(4-amino-2-methylbutan-2-yl)-2-[5-methoxy-3-(1H-pyrrolo[2,3-b]pyridin-2-yl)indol-1-yl]acetamide.

Molecular Properties

• Compound Name: N-(4-amino-2-methylbutan-2-yl)-2-[5-methoxy-3-(1H-pyrrolo[2,3-b]pyridin-2-yl)indol-1-yl]acetamide
• PubChem CID: 67157851
• Molecular Formula: C23H27N5O2
• Molecular Weight: 405.50 g/mol
• Exact Mass: 405.22
• IUPAC Name: N-(4-amino-2-methylbutan-2-yl)-2-[5-methoxy-3-(1H-pyrrolo[2,3-b]pyridin-2-yl)indol-1-yl]acetamide
• SMILES: COc1ccc2c(c1)c(-c1cc3cccnc3[nH]1)cn2CC(=O)NC(C)(C)CCN
• InChI: InChI=1S/C23H27N5O2/c1-23(2,8-9-24)27-21(29)14-28-13-18(17-12-16(30-3)6-7-20(17)28)19-11-15-5-4-10-25-22(15)26-19/h4-7,10-13H,8-9,14,24H2,1-3H3,(H,25,26)(H,27,29)
• InChIKey: UDDMQDJNFYREIO-UHFFFAOYSA-N
• XLogP: 3.44
• TPSA: 97.96 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	405.50
LogP ≤ 5	3.44
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-2-methylbutan-2-yl)-2-[5-methoxy-3-(1H-pyrrolo[2,3-b]pyridin-2-yl)indol-1-yl]acetamide?

The IUPAC name of N-(4-amino-2-methylbutan-2-yl)-2-[5-methoxy-3-(1H-pyrrolo[2,3-b]pyridin-2-yl)indol-1-yl]acetamide (CID 67157851) is N-(4-amino-2-methylbutan-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-(4-amino-2-methylbutan-2-yl)-2-[5-methoxy-3-(1H-pyrrolo[2,3-b]pyridin-2-yl)indol-1-yl]acetamide?

The canonical SMILES for N-(4-amino-2-methylbutan-2-yl)-2-[5-methoxy-3-(1H-pyrrolo[2,3-b]pyridin-2-yl)indol-1-yl]acetamide is COc1ccc2c(c1)c(-c1cc3cccnc3[nH]1)cn2CC(=O)NC(C)(C)CCN.

What is the InChIKey of N-(4-amino-2-methylbutan-2-yl)-2-[5-methoxy-3-(1H-pyrrolo[2,3-b]pyridin-2-yl)indol-1-yl]acetamide?

The InChIKey is UDDMQDJNFYREIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N5O2/c1-23(2,8-9-24)27-21(29)14-28-13-18(17-12-16(30-3)6-7-20(17)28)19-11-15-5-4-10-25-22(15)26-19/h4-7,10-13H,8-9,14,24H2,1-3H3,(H,25,26)(H,27,29).

What are the key properties of N-(4-amino-2-methylbutan-2-yl)-2-[5-methoxy-3-(1H-pyrrolo[2,3-b]pyridin-2-yl)indol-1-yl]acetamide?

N-(4-amino-2-methylbutan-2-yl)-2-[5-methoxy-3-(1H-pyrrolo[2,3-b]pyridin-2-yl)indol-1-yl]acetamide has a molecular weight of 405.50 g/mol, XLogP of 3.44, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-(4-amino-2-methylbutan-2-yl)-2-[5-methoxy-3-(1H-pyrrolo[2,3-b]pyridin-2-yl)indol-1-yl]acetamide is sourced from PubChem (CID 67157851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).