[4-[4-[[6-(3,4-dihydro-2H-pyrano[2,3-b]pyridin-6-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-2-methoxyphenyl]morpholin-2-yl]methanol

C26H28N6O4 — CID 158934113

About [4-[4-[[6-(3,4-dihydro-2H-pyrano[2,3-b]pyridin-6-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-2-methoxyphenyl]morpholin-2-yl]methanol

[4-[4-[[6-(3,4-dihydro-2H-pyrano[2,3-b]pyridin-6-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-2-methoxyphenyl]morpholin-2-yl]methanol (PubChem CID 158934113) has the molecular formula C26H28N6O4 and a molecular weight of 488.55 g/mol. Its IUPAC name is [4-[4-[[6-(3,4-dihydro-2H-pyrano[2,3-b]pyridin-6-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-2-methoxyphenyl]morpholin-2-yl]methanol.

Molecular Properties

• Compound Name: [4-[4-[[6-(3,4-dihydro-2H-pyrano[2,3-b]pyridin-6-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-2-methoxyphenyl]morpholin-2-yl]methanol
• PubChem CID: 158934113
• Molecular Formula: C26H28N6O4
• Molecular Weight: 488.55 g/mol
• Exact Mass: 488.22
• IUPAC Name: [4-[4-[[6-(3,4-dihydro-2H-pyrano[2,3-b]pyridin-6-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-2-methoxyphenyl]morpholin-2-yl]methanol
• SMILES: COc1cc(Nc2nc(-c3cnc4c(c3)CCCO4)cn3ccnc23)ccc1N1CCOC(CO)C1
• InChI: InChI=1S/C26H28N6O4/c1-34-23-12-19(4-5-22(23)31-8-10-35-20(14-31)16-33)29-24-25-27-6-7-32(25)15-21(30-24)18-11-17-3-2-9-36-26(17)28-13-18/h4-7,11-13,15,20,33H,2-3,8-10,14,16H2,1H3,(H,29,30)
• InChIKey: JJKYGQSWPFYKJV-UHFFFAOYSA-N
• XLogP: 3.07
• TPSA: 106.27 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 6
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	488.55
LogP ≤ 5	3.07
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [4-[4-[[6-(3,4-dihydro-2H-pyrano[2,3-b]pyridin-6-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-2-methoxyphenyl]morpholin-2-yl]methanol?

The IUPAC name of [4-[4-[[6-(3,4-dihydro-2H-pyrano[2,3-b]pyridin-6-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-2-methoxyphenyl]morpholin-2-yl]methanol (CID 158934113) is [4-[4-[[6-(3,4-dihydro-2H-pyrano[2,3-b]pyridin-6-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-2-methoxyphenyl]morpholin-2-yl]methanol.

What is the SMILES notation for [4-[4-[[6-(3,4-dihydro-2H-pyrano[2,3-b]pyridin-6-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-2-methoxyphenyl]morpholin-2-yl]methanol?

The canonical SMILES for [4-[4-[[6-(3,4-dihydro-2H-pyrano[2,3-b]pyridin-6-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-2-methoxyphenyl]morpholin-2-yl]methanol is COc1cc(Nc2nc(-c3cnc4c(c3)CCCO4)cn3ccnc23)ccc1N1CCOC(CO)C1.

What is the InChIKey of [4-[4-[[6-(3,4-dihydro-2H-pyrano[2,3-b]pyridin-6-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-2-methoxyphenyl]morpholin-2-yl]methanol?

The InChIKey is JJKYGQSWPFYKJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N6O4/c1-34-23-12-19(4-5-22(23)31-8-10-35-20(14-31)16-33)29-24-25-27-6-7-32(25)15-21(30-24)18-11-17-3-2-9-36-26(17)28-13-18/h4-7,11-13,15,20,33H,2-3,8-10,14,16H2,1H3,(H,29,30).

What are the key properties of [4-[4-[[6-(3,4-dihydro-2H-pyrano[2,3-b]pyridin-6-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-2-methoxyphenyl]morpholin-2-yl]methanol?

[4-[4-[[6-(3,4-dihydro-2H-pyrano[2,3-b]pyridin-6-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-2-methoxyphenyl]morpholin-2-yl]methanol has a molecular weight of 488.55 g/mol, XLogP of 3.07, 6 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for [4-[4-[[6-(3,4-dihydro-2H-pyrano[2,3-b]pyridin-6-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-2-methoxyphenyl]morpholin-2-yl]methanol is sourced from PubChem (CID 158934113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).