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

C22H16N6O2 — CID 169116046

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

2-(1,3-oxazol-5-yl)-N-[4-(3-pyridin-2-yl-1H-pyrrolo[3,2-b]pyridin-2-yl)-2-pyridinyl]acetamide (PubChem CID 169116046) has the molecular formula C22H16N6O2 and a molecular weight of 396.41 g/mol. Its IUPAC name is 2-(1,3-oxazol-5-yl)-N-[4-(3-pyridin-2-yl-1H-pyrrolo[3,2-b]pyridin-2-yl)-2-pyridinyl]acetamide.

Molecular Properties

• Compound Name: 2-(1,3-oxazol-5-yl)-N-[4-(3-pyridin-2-yl-1H-pyrrolo[3,2-b]pyridin-2-yl)-2-pyridinyl]acetamide
• PubChem CID: 169116046
• Molecular Formula: C22H16N6O2
• Molecular Weight: 396.41 g/mol
• Exact Mass: 396.13
• IUPAC Name: 2-(1,3-oxazol-5-yl)-N-[4-(3-pyridin-2-yl-1H-pyrrolo[3,2-b]pyridin-2-yl)-2-pyridinyl]acetamide
• SMILES: O=C(Cc1cnco1)Nc1cc(-c2[nH]c3cccnc3c2-c2ccccn2)ccn1
• InChI: InChI=1S/C22H16N6O2/c29-19(11-15-12-23-13-30-15)28-18-10-14(6-9-25-18)21-20(16-4-1-2-7-24-16)22-17(27-21)5-3-8-26-22/h1-10,12-13,27H,11H2,(H,25,28,29)
• InChIKey: KDFAUZONCVHIQC-UHFFFAOYSA-N
• XLogP: 3.86
• TPSA: 109.59 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	396.41
LogP ≤ 5	3.86
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 2-(1,3-oxazol-5-yl)-N-[4-(3-pyridin-2-yl-1H-pyrrolo[3,2-b]pyridin-2-yl)-2-pyridinyl]acetamide (CID 169116046) is 2-(1,3-oxazol-5-yl)-N-[4-(3-pyridin-2-yl-1H-pyrrolo[3,2-b]pyridin-2-yl)-2-pyridinyl]acetamide.

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

The canonical SMILES for 2-(1,3-oxazol-5-yl)-N-[4-(3-pyridin-2-yl-1H-pyrrolo[3,2-b]pyridin-2-yl)-2-pyridinyl]acetamide is O=C(Cc1cnco1)Nc1cc(-c2[nH]c3cccnc3c2-c2ccccn2)ccn1.

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

The InChIKey is KDFAUZONCVHIQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16N6O2/c29-19(11-15-12-23-13-30-15)28-18-10-14(6-9-25-18)21-20(16-4-1-2-7-24-16)22-17(27-21)5-3-8-26-22/h1-10,12-13,27H,11H2,(H,25,28,29).

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

2-(1,3-oxazol-5-yl)-N-[4-(3-pyridin-2-yl-1H-pyrrolo[3,2-b]pyridin-2-yl)-2-pyridinyl]acetamide has a molecular weight of 396.41 g/mol, XLogP of 3.86, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(1,3-oxazol-5-yl)-N-[4-(3-pyridin-2-yl-1H-pyrrolo[3,2-b]pyridin-2-yl)-2-pyridinyl]acetamide is sourced from PubChem (CID 169116046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).