N-[4-[7-(2-hydroxypropan-2-yl)-3-(6-methoxy-3-pyridinyl)-1H-pyrrolo[3,2-b]pyridin-2-yl]-2-pyridinyl]acetamide

C23H23N5O3 — CID 121411789

About N-[4-[7-(2-hydroxypropan-2-yl)-3-(6-methoxy-3-pyridinyl)-1H-pyrrolo[3,2-b]pyridin-2-yl]-2-pyridinyl]acetamide

N-[4-[7-(2-hydroxypropan-2-yl)-3-(6-methoxy-3-pyridinyl)-1H-pyrrolo[3,2-b]pyridin-2-yl]-2-pyridinyl]acetamide (PubChem CID 121411789) has the molecular formula C23H23N5O3 and a molecular weight of 417.47 g/mol. Its IUPAC name is N-[4-[7-(2-hydroxypropan-2-yl)-3-(6-methoxy-3-pyridinyl)-1H-pyrrolo[3,2-b]pyridin-2-yl]-2-pyridinyl]acetamide.

Molecular Properties

• Compound Name: N-[4-[7-(2-hydroxypropan-2-yl)-3-(6-methoxy-3-pyridinyl)-1H-pyrrolo[3,2-b]pyridin-2-yl]-2-pyridinyl]acetamide
• PubChem CID: 121411789
• Molecular Formula: C23H23N5O3
• Molecular Weight: 417.47 g/mol
• Exact Mass: 417.18
• IUPAC Name: N-[4-[7-(2-hydroxypropan-2-yl)-3-(6-methoxy-3-pyridinyl)-1H-pyrrolo[3,2-b]pyridin-2-yl]-2-pyridinyl]acetamide
• SMILES: COc1ccc(-c2c(-c3ccnc(NC(C)=O)c3)[nH]c3c(C(C)(C)O)ccnc23)cn1
• InChI: InChI=1S/C23H23N5O3/c1-13(29)27-17-11-14(7-9-24-17)20-19(15-5-6-18(31-4)26-12-15)22-21(28-20)16(8-10-25-22)23(2,3)30/h5-12,28,30H,1-4H3,(H,24,27,29)
• InChIKey: HLXANNORURBPCC-UHFFFAOYSA-N
• XLogP: 3.88
• TPSA: 113.02 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	417.47
LogP ≤ 5	3.88
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[4-[7-(2-hydroxypropan-2-yl)-3-(6-methoxy-3-pyridinyl)-1H-pyrrolo[3,2-b]pyridin-2-yl]-2-pyridinyl]acetamide?

The IUPAC name of N-[4-[7-(2-hydroxypropan-2-yl)-3-(6-methoxy-3-pyridinyl)-1H-pyrrolo[3,2-b]pyridin-2-yl]-2-pyridinyl]acetamide (CID 121411789) is N-[4-[7-(2-hydroxypropan-2-yl)-3-(6-methoxy-3-pyridinyl)-1H-pyrrolo[3,2-b]pyridin-2-yl]-2-pyridinyl]acetamide.

What is the SMILES notation for N-[4-[7-(2-hydroxypropan-2-yl)-3-(6-methoxy-3-pyridinyl)-1H-pyrrolo[3,2-b]pyridin-2-yl]-2-pyridinyl]acetamide?

The canonical SMILES for N-[4-[7-(2-hydroxypropan-2-yl)-3-(6-methoxy-3-pyridinyl)-1H-pyrrolo[3,2-b]pyridin-2-yl]-2-pyridinyl]acetamide is COc1ccc(-c2c(-c3ccnc(NC(C)=O)c3)[nH]c3c(C(C)(C)O)ccnc23)cn1.

What is the InChIKey of N-[4-[7-(2-hydroxypropan-2-yl)-3-(6-methoxy-3-pyridinyl)-1H-pyrrolo[3,2-b]pyridin-2-yl]-2-pyridinyl]acetamide?

The InChIKey is HLXANNORURBPCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N5O3/c1-13(29)27-17-11-14(7-9-24-17)20-19(15-5-6-18(31-4)26-12-15)22-21(28-20)16(8-10-25-22)23(2,3)30/h5-12,28,30H,1-4H3,(H,24,27,29).

What are the key properties of N-[4-[7-(2-hydroxypropan-2-yl)-3-(6-methoxy-3-pyridinyl)-1H-pyrrolo[3,2-b]pyridin-2-yl]-2-pyridinyl]acetamide?

N-[4-[7-(2-hydroxypropan-2-yl)-3-(6-methoxy-3-pyridinyl)-1H-pyrrolo[3,2-b]pyridin-2-yl]-2-pyridinyl]acetamide has a molecular weight of 417.47 g/mol, XLogP of 3.88, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[7-(2-hydroxypropan-2-yl)-3-(6-methoxy-3-pyridinyl)-1H-pyrrolo[3,2-b]pyridin-2-yl]-2-pyridinyl]acetamide is sourced from PubChem (CID 121411789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).