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

C26H32N4O5 — CID 169305641

About N-[3-[4-[(1-hydroxy-2-methylpropan-2-yl)oxymethyl]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-[(1-hydroxy-2-methylpropan-2-yl)oxymethyl]spiro[5,6-dihydropyrano[3,4-b]pyridine-8,3'-oxolane]-2-yl]-1-methylpyrrolo[2,3-c]pyridin-5-yl]acetamide (PubChem CID 169305641) has the molecular formula C26H32N4O5 and a molecular weight of 480.57 g/mol. Its IUPAC name is N-[3-[4-[(1-hydroxy-2-methylpropan-2-yl)oxymethyl]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-[(1-hydroxy-2-methylpropan-2-yl)oxymethyl]spiro[5,6-dihydropyrano[3,4-b]pyridine-8,3'-oxolane]-2-yl]-1-methylpyrrolo[2,3-c]pyridin-5-yl]acetamide
• PubChem CID: 169305641
• Molecular Formula: C26H32N4O5
• Molecular Weight: 480.57 g/mol
• Exact Mass: 480.24
• IUPAC Name: N-[3-[4-[(1-hydroxy-2-methylpropan-2-yl)oxymethyl]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(COC(C)(C)CO)c4c(n3)C3(CCOC3)OCC4)cn(C)c2cn1
• InChI: InChI=1S/C26H32N4O5/c1-16(32)28-23-10-19-20(12-30(4)22(19)11-27-23)21-9-17(13-35-25(2,3)14-31)18-5-7-34-26(24(18)29-21)6-8-33-15-26/h9-12,31H,5-8,13-15H2,1-4H3,(H,27,28,32)
• InChIKey: YYMCJXIZMBBYLO-UHFFFAOYSA-N
• XLogP: 3.07
• TPSA: 107.73 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	480.57
LogP ≤ 5	3.07
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-[3-[4-[(1-hydroxy-2-methylpropan-2-yl)oxymethyl]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-[(1-hydroxy-2-methylpropan-2-yl)oxymethyl]spiro[5,6-dihydropyrano[3,4-b]pyridine-8,3'-oxolane]-2-yl]-1-methylpyrrolo[2,3-c]pyridin-5-yl]acetamide (CID 169305641) is N-[3-[4-[(1-hydroxy-2-methylpropan-2-yl)oxymethyl]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-[(1-hydroxy-2-methylpropan-2-yl)oxymethyl]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-[(1-hydroxy-2-methylpropan-2-yl)oxymethyl]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(COC(C)(C)CO)c4c(n3)C3(CCOC3)OCC4)cn(C)c2cn1.

What is the InChIKey of N-[3-[4-[(1-hydroxy-2-methylpropan-2-yl)oxymethyl]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 YYMCJXIZMBBYLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N4O5/c1-16(32)28-23-10-19-20(12-30(4)22(19)11-27-23)21-9-17(13-35-25(2,3)14-31)18-5-7-34-26(24(18)29-21)6-8-33-15-26/h9-12,31H,5-8,13-15H2,1-4H3,(H,27,28,32).

What are the key properties of N-[3-[4-[(1-hydroxy-2-methylpropan-2-yl)oxymethyl]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-[(1-hydroxy-2-methylpropan-2-yl)oxymethyl]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 480.57 g/mol, XLogP of 3.07, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-[4-[(1-hydroxy-2-methylpropan-2-yl)oxymethyl]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 169305641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).