N-[3-[4-(3-cyanophenoxy)spiro[5,6-dihydropyrano[3,4-b]pyridine-8,3'-oxolane]-2-yl]-1-methylpyrrolo[2,3-c]pyridin-5-yl]acetamide

C28H25N5O4 — CID 168876887

About N-[3-[4-(3-cyanophenoxy)spiro[5,6-dihydropyrano[3,4-b]pyridine-8,3'-oxolane]-2-yl]-1-methylpyrrolo[2,3-c]pyridin-5-yl]acetamide

N-[3-[4-(3-cyanophenoxy)spiro[5,6-dihydropyrano[3,4-b]pyridine-8,3'-oxolane]-2-yl]-1-methylpyrrolo[2,3-c]pyridin-5-yl]acetamide (PubChem CID 168876887) has the molecular formula C28H25N5O4 and a molecular weight of 495.54 g/mol. Its IUPAC name is N-[3-[4-(3-cyanophenoxy)spiro[5,6-dihydropyrano[3,4-b]pyridine-8,3'-oxolane]-2-yl]-1-methylpyrrolo[2,3-c]pyridin-5-yl]acetamide.

Molecular Properties

• Compound Name: N-[3-[4-(3-cyanophenoxy)spiro[5,6-dihydropyrano[3,4-b]pyridine-8,3'-oxolane]-2-yl]-1-methylpyrrolo[2,3-c]pyridin-5-yl]acetamide
• PubChem CID: 168876887
• Molecular Formula: C28H25N5O4
• Molecular Weight: 495.54 g/mol
• Exact Mass: 495.19
• IUPAC Name: N-[3-[4-(3-cyanophenoxy)spiro[5,6-dihydropyrano[3,4-b]pyridine-8,3'-oxolane]-2-yl]-1-methylpyrrolo[2,3-c]pyridin-5-yl]acetamide
• SMILES: CC(=O)Nc1cc2c(-c3cc(Oc4cccc(C#N)c4)c4c(n3)C3(CCOC3)OCC4)cn(C)c2cn1
• InChI: InChI=1S/C28H25N5O4/c1-17(34)31-26-11-21-22(15-33(2)24(21)14-30-26)23-12-25(37-19-5-3-4-18(10-19)13-29)20-6-8-36-28(27(20)32-23)7-9-35-16-28/h3-5,10-12,14-15H,6-9,16H2,1-2H3,(H,30,31,34)
• InChIKey: KIEGDXKCCZQGPU-UHFFFAOYSA-N
• XLogP: 4.45
• TPSA: 111.29 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 4
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	495.54
LogP ≤ 5	4.45
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-[3-[4-(3-cyanophenoxy)spiro[5,6-dihydropyrano[3,4-b]pyridine-8,3'-oxolane]-2-yl]-1-methylpyrrolo[2,3-c]pyridin-5-yl]acetamide?

The IUPAC name of N-[3-[4-(3-cyanophenoxy)spiro[5,6-dihydropyrano[3,4-b]pyridine-8,3'-oxolane]-2-yl]-1-methylpyrrolo[2,3-c]pyridin-5-yl]acetamide (CID 168876887) is N-[3-[4-(3-cyanophenoxy)spiro[5,6-dihydropyrano[3,4-b]pyridine-8,3'-oxolane]-2-yl]-1-methylpyrrolo[2,3-c]pyridin-5-yl]acetamide.

What is the SMILES notation for N-[3-[4-(3-cyanophenoxy)spiro[5,6-dihydropyrano[3,4-b]pyridine-8,3'-oxolane]-2-yl]-1-methylpyrrolo[2,3-c]pyridin-5-yl]acetamide?

The canonical SMILES for N-[3-[4-(3-cyanophenoxy)spiro[5,6-dihydropyrano[3,4-b]pyridine-8,3'-oxolane]-2-yl]-1-methylpyrrolo[2,3-c]pyridin-5-yl]acetamide is CC(=O)Nc1cc2c(-c3cc(Oc4cccc(C#N)c4)c4c(n3)C3(CCOC3)OCC4)cn(C)c2cn1.

What is the InChIKey of N-[3-[4-(3-cyanophenoxy)spiro[5,6-dihydropyrano[3,4-b]pyridine-8,3'-oxolane]-2-yl]-1-methylpyrrolo[2,3-c]pyridin-5-yl]acetamide?

The InChIKey is KIEGDXKCCZQGPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H25N5O4/c1-17(34)31-26-11-21-22(15-33(2)24(21)14-30-26)23-12-25(37-19-5-3-4-18(10-19)13-29)20-6-8-36-28(27(20)32-23)7-9-35-16-28/h3-5,10-12,14-15H,6-9,16H2,1-2H3,(H,30,31,34).

What are the key properties of N-[3-[4-(3-cyanophenoxy)spiro[5,6-dihydropyrano[3,4-b]pyridine-8,3'-oxolane]-2-yl]-1-methylpyrrolo[2,3-c]pyridin-5-yl]acetamide?

N-[3-[4-(3-cyanophenoxy)spiro[5,6-dihydropyrano[3,4-b]pyridine-8,3'-oxolane]-2-yl]-1-methylpyrrolo[2,3-c]pyridin-5-yl]acetamide has a molecular weight of 495.54 g/mol, XLogP of 4.45, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-[4-(3-cyanophenoxy)spiro[5,6-dihydropyrano[3,4-b]pyridine-8,3'-oxolane]-2-yl]-1-methylpyrrolo[2,3-c]pyridin-5-yl]acetamide is sourced from PubChem (CID 168876887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).