N-[4-[6-(3,5-dimethyltriazol-4-yl)-3-(5-methyl-2-pyridinyl)-1H-pyrrolo[3,2-b]pyridin-2-yl]-2-pyridinyl]acetamide

C24H22N8O — CID 121431807

About N-[4-[6-(3,5-dimethyltriazol-4-yl)-3-(5-methyl-2-pyridinyl)-1H-pyrrolo[3,2-b]pyridin-2-yl]-2-pyridinyl]acetamide

N-[4-[6-(3,5-dimethyltriazol-4-yl)-3-(5-methyl-2-pyridinyl)-1H-pyrrolo[3,2-b]pyridin-2-yl]-2-pyridinyl]acetamide (PubChem CID 121431807) has the molecular formula C24H22N8O and a molecular weight of 438.50 g/mol. Its IUPAC name is N-[4-[6-(3,5-dimethyltriazol-4-yl)-3-(5-methyl-2-pyridinyl)-1H-pyrrolo[3,2-b]pyridin-2-yl]-2-pyridinyl]acetamide.

Molecular Properties

• Compound Name: N-[4-[6-(3,5-dimethyltriazol-4-yl)-3-(5-methyl-2-pyridinyl)-1H-pyrrolo[3,2-b]pyridin-2-yl]-2-pyridinyl]acetamide
• PubChem CID: 121431807
• Molecular Formula: C24H22N8O
• Molecular Weight: 438.50 g/mol
• Exact Mass: 438.19
• IUPAC Name: N-[4-[6-(3,5-dimethyltriazol-4-yl)-3-(5-methyl-2-pyridinyl)-1H-pyrrolo[3,2-b]pyridin-2-yl]-2-pyridinyl]acetamide
• SMILES: CC(=O)Nc1cc(-c2[nH]c3cc(-c4c(C)nnn4C)cnc3c2-c2ccc(C)cn2)ccn1
• InChI: InChI=1S/C24H22N8O/c1-13-5-6-18(26-11-13)21-22(16-7-8-25-20(10-16)28-15(3)33)29-19-9-17(12-27-23(19)21)24-14(2)30-31-32(24)4/h5-12,29H,1-4H3,(H,25,28,33)
• InChIKey: VWJYAGWSPVWJFL-UHFFFAOYSA-N
• XLogP: 4.06
• TPSA: 114.27 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	438.50
LogP ≤ 5	4.06
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[4-[6-(3,5-dimethyltriazol-4-yl)-3-(5-methyl-2-pyridinyl)-1H-pyrrolo[3,2-b]pyridin-2-yl]-2-pyridinyl]acetamide?

The IUPAC name of N-[4-[6-(3,5-dimethyltriazol-4-yl)-3-(5-methyl-2-pyridinyl)-1H-pyrrolo[3,2-b]pyridin-2-yl]-2-pyridinyl]acetamide (CID 121431807) is N-[4-[6-(3,5-dimethyltriazol-4-yl)-3-(5-methyl-2-pyridinyl)-1H-pyrrolo[3,2-b]pyridin-2-yl]-2-pyridinyl]acetamide.

What is the SMILES notation for N-[4-[6-(3,5-dimethyltriazol-4-yl)-3-(5-methyl-2-pyridinyl)-1H-pyrrolo[3,2-b]pyridin-2-yl]-2-pyridinyl]acetamide?

The canonical SMILES for N-[4-[6-(3,5-dimethyltriazol-4-yl)-3-(5-methyl-2-pyridinyl)-1H-pyrrolo[3,2-b]pyridin-2-yl]-2-pyridinyl]acetamide is CC(=O)Nc1cc(-c2[nH]c3cc(-c4c(C)nnn4C)cnc3c2-c2ccc(C)cn2)ccn1.

What is the InChIKey of N-[4-[6-(3,5-dimethyltriazol-4-yl)-3-(5-methyl-2-pyridinyl)-1H-pyrrolo[3,2-b]pyridin-2-yl]-2-pyridinyl]acetamide?

The InChIKey is VWJYAGWSPVWJFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N8O/c1-13-5-6-18(26-11-13)21-22(16-7-8-25-20(10-16)28-15(3)33)29-19-9-17(12-27-23(19)21)24-14(2)30-31-32(24)4/h5-12,29H,1-4H3,(H,25,28,33).

What are the key properties of N-[4-[6-(3,5-dimethyltriazol-4-yl)-3-(5-methyl-2-pyridinyl)-1H-pyrrolo[3,2-b]pyridin-2-yl]-2-pyridinyl]acetamide?

N-[4-[6-(3,5-dimethyltriazol-4-yl)-3-(5-methyl-2-pyridinyl)-1H-pyrrolo[3,2-b]pyridin-2-yl]-2-pyridinyl]acetamide has a molecular weight of 438.50 g/mol, XLogP of 4.06, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[6-(3,5-dimethyltriazol-4-yl)-3-(5-methyl-2-pyridinyl)-1H-pyrrolo[3,2-b]pyridin-2-yl]-2-pyridinyl]acetamide is sourced from PubChem (CID 121431807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).