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

C28H34N4O5 — CID 170012414

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

N-[1-methyl-3-[4-[1-(oxan-4-yl)ethoxy]spiro[5,6-dihydropyrano[3,4-b]pyridine-8,3'-oxolane]-2-yl]pyrrolo[2,3-c]pyridin-5-yl]acetamide (PubChem CID 170012414) has the molecular formula C28H34N4O5 and a molecular weight of 506.60 g/mol. Its IUPAC name is N-[1-methyl-3-[4-[1-(oxan-4-yl)ethoxy]spiro[5,6-dihydropyrano[3,4-b]pyridine-8,3'-oxolane]-2-yl]pyrrolo[2,3-c]pyridin-5-yl]acetamide.

Molecular Properties

• Compound Name: N-[1-methyl-3-[4-[1-(oxan-4-yl)ethoxy]spiro[5,6-dihydropyrano[3,4-b]pyridine-8,3'-oxolane]-2-yl]pyrrolo[2,3-c]pyridin-5-yl]acetamide
• PubChem CID: 170012414
• Molecular Formula: C28H34N4O5
• Molecular Weight: 506.60 g/mol
• Exact Mass: 506.25
• IUPAC Name: N-[1-methyl-3-[4-[1-(oxan-4-yl)ethoxy]spiro[5,6-dihydropyrano[3,4-b]pyridine-8,3'-oxolane]-2-yl]pyrrolo[2,3-c]pyridin-5-yl]acetamide
• SMILES: CC(=O)Nc1cc2c(-c3cc(OC(C)C4CCOCC4)c4c(n3)C3(CCOC3)OCC4)cn(C)c2cn1
• InChI: InChI=1S/C28H34N4O5/c1-17(19-4-8-34-9-5-19)37-25-13-23(31-27-20(25)6-10-36-28(27)7-11-35-16-28)22-15-32(3)24-14-29-26(12-21(22)24)30-18(2)33/h12-15,17,19H,4-11,16H2,1-3H3,(H,29,30,33)
• InChIKey: OZJAGMIIZFXJQU-UHFFFAOYSA-N
• XLogP: 3.98
• TPSA: 96.73 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	506.60
LogP ≤ 5	3.98
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

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

The IUPAC name of N-[1-methyl-3-[4-[1-(oxan-4-yl)ethoxy]spiro[5,6-dihydropyrano[3,4-b]pyridine-8,3'-oxolane]-2-yl]pyrrolo[2,3-c]pyridin-5-yl]acetamide (CID 170012414) is N-[1-methyl-3-[4-[1-(oxan-4-yl)ethoxy]spiro[5,6-dihydropyrano[3,4-b]pyridine-8,3'-oxolane]-2-yl]pyrrolo[2,3-c]pyridin-5-yl]acetamide.

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

The canonical SMILES for N-[1-methyl-3-[4-[1-(oxan-4-yl)ethoxy]spiro[5,6-dihydropyrano[3,4-b]pyridine-8,3'-oxolane]-2-yl]pyrrolo[2,3-c]pyridin-5-yl]acetamide is CC(=O)Nc1cc2c(-c3cc(OC(C)C4CCOCC4)c4c(n3)C3(CCOC3)OCC4)cn(C)c2cn1.

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

The InChIKey is OZJAGMIIZFXJQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H34N4O5/c1-17(19-4-8-34-9-5-19)37-25-13-23(31-27-20(25)6-10-36-28(27)7-11-35-16-28)22-15-32(3)24-14-29-26(12-21(22)24)30-18(2)33/h12-15,17,19H,4-11,16H2,1-3H3,(H,29,30,33).

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

N-[1-methyl-3-[4-[1-(oxan-4-yl)ethoxy]spiro[5,6-dihydropyrano[3,4-b]pyridine-8,3'-oxolane]-2-yl]pyrrolo[2,3-c]pyridin-5-yl]acetamide has a molecular weight of 506.60 g/mol, XLogP of 3.98, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-methyl-3-[4-[1-(oxan-4-yl)ethoxy]spiro[5,6-dihydropyrano[3,4-b]pyridine-8,3'-oxolane]-2-yl]pyrrolo[2,3-c]pyridin-5-yl]acetamide is sourced from PubChem (CID 170012414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).