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

C25H25N5O5 — CID 168876994

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

N-[3-[4-[(3-cyanooxetan-3-yl)methoxy]spiro[5,6-dihydropyrano[3,4-b]pyridine-8,3'-oxolane]-2-yl]-1H-pyrrolo[2,3-c]pyridin-5-yl]acetamide (PubChem CID 168876994) has the molecular formula C25H25N5O5 and a molecular weight of 475.51 g/mol. Its IUPAC name is N-[3-[4-[(3-cyanooxetan-3-yl)methoxy]spiro[5,6-dihydropyrano[3,4-b]pyridine-8,3'-oxolane]-2-yl]-1H-pyrrolo[2,3-c]pyridin-5-yl]acetamide.

Molecular Properties

• Compound Name: N-[3-[4-[(3-cyanooxetan-3-yl)methoxy]spiro[5,6-dihydropyrano[3,4-b]pyridine-8,3'-oxolane]-2-yl]-1H-pyrrolo[2,3-c]pyridin-5-yl]acetamide
• PubChem CID: 168876994
• Molecular Formula: C25H25N5O5
• Molecular Weight: 475.51 g/mol
• Exact Mass: 475.19
• IUPAC Name: N-[3-[4-[(3-cyanooxetan-3-yl)methoxy]spiro[5,6-dihydropyrano[3,4-b]pyridine-8,3'-oxolane]-2-yl]-1H-pyrrolo[2,3-c]pyridin-5-yl]acetamide
• SMILES: CC(=O)Nc1cc2c(-c3cc(OCC4(C#N)COC4)c4c(n3)C3(CCOC3)OCC4)c[nH]c2cn1
• InChI: InChI=1S/C25H25N5O5/c1-15(31)29-22-6-17-18(8-27-20(17)9-28-22)19-7-21(34-13-24(10-26)11-33-12-24)16-2-4-35-25(23(16)30-19)3-5-32-14-25/h6-9,27H,2-5,11-14H2,1H3,(H,28,29,31)
• InChIKey: MJGFCPBWKLBUOY-UHFFFAOYSA-N
• XLogP: 2.69
• TPSA: 131.38 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	475.51
LogP ≤ 5	2.69
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

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

The IUPAC name of N-[3-[4-[(3-cyanooxetan-3-yl)methoxy]spiro[5,6-dihydropyrano[3,4-b]pyridine-8,3'-oxolane]-2-yl]-1H-pyrrolo[2,3-c]pyridin-5-yl]acetamide (CID 168876994) is N-[3-[4-[(3-cyanooxetan-3-yl)methoxy]spiro[5,6-dihydropyrano[3,4-b]pyridine-8,3'-oxolane]-2-yl]-1H-pyrrolo[2,3-c]pyridin-5-yl]acetamide.

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

The canonical SMILES for N-[3-[4-[(3-cyanooxetan-3-yl)methoxy]spiro[5,6-dihydropyrano[3,4-b]pyridine-8,3'-oxolane]-2-yl]-1H-pyrrolo[2,3-c]pyridin-5-yl]acetamide is CC(=O)Nc1cc2c(-c3cc(OCC4(C#N)COC4)c4c(n3)C3(CCOC3)OCC4)c[nH]c2cn1.

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

The InChIKey is MJGFCPBWKLBUOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N5O5/c1-15(31)29-22-6-17-18(8-27-20(17)9-28-22)19-7-21(34-13-24(10-26)11-33-12-24)16-2-4-35-25(23(16)30-19)3-5-32-14-25/h6-9,27H,2-5,11-14H2,1H3,(H,28,29,31).

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

N-[3-[4-[(3-cyanooxetan-3-yl)methoxy]spiro[5,6-dihydropyrano[3,4-b]pyridine-8,3'-oxolane]-2-yl]-1H-pyrrolo[2,3-c]pyridin-5-yl]acetamide has a molecular weight of 475.51 g/mol, XLogP of 2.69, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-[4-[(3-cyanooxetan-3-yl)methoxy]spiro[5,6-dihydropyrano[3,4-b]pyridine-8,3'-oxolane]-2-yl]-1H-pyrrolo[2,3-c]pyridin-5-yl]acetamide is sourced from PubChem (CID 168876994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).