N-[1-methyl-3-[4-(3-methyloxetan-3-yl)oxyspiro[5,6-dihydropyrano[3,4-b]pyridine-8,3'-oxolane]-2-yl]pyrrolo[2,3-c]pyridin-5-yl]formamide

C24H26N4O5 — CID 170012424

About N-[1-methyl-3-[4-(3-methyloxetan-3-yl)oxyspiro[5,6-dihydropyrano[3,4-b]pyridine-8,3'-oxolane]-2-yl]pyrrolo[2,3-c]pyridin-5-yl]formamide

N-[1-methyl-3-[4-(3-methyloxetan-3-yl)oxyspiro[5,6-dihydropyrano[3,4-b]pyridine-8,3'-oxolane]-2-yl]pyrrolo[2,3-c]pyridin-5-yl]formamide (PubChem CID 170012424) has the molecular formula C24H26N4O5 and a molecular weight of 450.50 g/mol. Its IUPAC name is N-[1-methyl-3-[4-(3-methyloxetan-3-yl)oxyspiro[5,6-dihydropyrano[3,4-b]pyridine-8,3'-oxolane]-2-yl]pyrrolo[2,3-c]pyridin-5-yl]formamide.

Molecular Properties

• Compound Name: N-[1-methyl-3-[4-(3-methyloxetan-3-yl)oxyspiro[5,6-dihydropyrano[3,4-b]pyridine-8,3'-oxolane]-2-yl]pyrrolo[2,3-c]pyridin-5-yl]formamide
• PubChem CID: 170012424
• Molecular Formula: C24H26N4O5
• Molecular Weight: 450.50 g/mol
• Exact Mass: 450.19
• IUPAC Name: N-[1-methyl-3-[4-(3-methyloxetan-3-yl)oxyspiro[5,6-dihydropyrano[3,4-b]pyridine-8,3'-oxolane]-2-yl]pyrrolo[2,3-c]pyridin-5-yl]formamide
• SMILES: Cn1cc(-c2cc(OC3(C)COC3)c3c(n2)C2(CCOC2)OCC3)c2cc(NC=O)ncc21
• InChI: InChI=1S/C24H26N4O5/c1-23(11-31-12-23)33-20-8-18(27-22-15(20)3-5-32-24(22)4-6-30-13-24)17-10-28(2)19-9-25-21(26-14-29)7-16(17)19/h7-10,14H,3-6,11-13H2,1-2H3,(H,25,26,29)
• InChIKey: OKVLNYFYKHIGCC-UHFFFAOYSA-N
• XLogP: 2.56
• TPSA: 96.73 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	450.50
LogP ≤ 5	2.56
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aldehyde', 'substructure': 'N/A'}

Frequently Asked Questions

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

The IUPAC name of N-[1-methyl-3-[4-(3-methyloxetan-3-yl)oxyspiro[5,6-dihydropyrano[3,4-b]pyridine-8,3'-oxolane]-2-yl]pyrrolo[2,3-c]pyridin-5-yl]formamide (CID 170012424) is N-[1-methyl-3-[4-(3-methyloxetan-3-yl)oxyspiro[5,6-dihydropyrano[3,4-b]pyridine-8,3'-oxolane]-2-yl]pyrrolo[2,3-c]pyridin-5-yl]formamide.

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

The canonical SMILES for N-[1-methyl-3-[4-(3-methyloxetan-3-yl)oxyspiro[5,6-dihydropyrano[3,4-b]pyridine-8,3'-oxolane]-2-yl]pyrrolo[2,3-c]pyridin-5-yl]formamide is Cn1cc(-c2cc(OC3(C)COC3)c3c(n2)C2(CCOC2)OCC3)c2cc(NC=O)ncc21.

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

The InChIKey is OKVLNYFYKHIGCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O5/c1-23(11-31-12-23)33-20-8-18(27-22-15(20)3-5-32-24(22)4-6-30-13-24)17-10-28(2)19-9-25-21(26-14-29)7-16(17)19/h7-10,14H,3-6,11-13H2,1-2H3,(H,25,26,29).

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

N-[1-methyl-3-[4-(3-methyloxetan-3-yl)oxyspiro[5,6-dihydropyrano[3,4-b]pyridine-8,3'-oxolane]-2-yl]pyrrolo[2,3-c]pyridin-5-yl]formamide has a molecular weight of 450.50 g/mol, XLogP of 2.56, 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-(3-methyloxetan-3-yl)oxyspiro[5,6-dihydropyrano[3,4-b]pyridine-8,3'-oxolane]-2-yl]pyrrolo[2,3-c]pyridin-5-yl]formamide is sourced from PubChem (CID 170012424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).