[2-(tert-butylamino)-4-(5-methylfuran-2-yl)pyrazolo[1,5-a][1,3,5]triazin-8-yl]-[6-(oxolan-3-yloxymethyl)-2-pyridinyl]methanol

C25H30N6O4 — CID 155385053

About [2-(tert-butylamino)-4-(5-methylfuran-2-yl)pyrazolo[1,5-a][1,3,5]triazin-8-yl]-[6-(oxolan-3-yloxymethyl)-2-pyridinyl]methanol

[2-(tert-butylamino)-4-(5-methylfuran-2-yl)pyrazolo[1,5-a][1,3,5]triazin-8-yl]-[6-(oxolan-3-yloxymethyl)-2-pyridinyl]methanol (PubChem CID 155385053) has the molecular formula C25H30N6O4 and a molecular weight of 478.55 g/mol. Its IUPAC name is [2-(tert-butylamino)-4-(5-methylfuran-2-yl)pyrazolo[1,5-a][1,3,5]triazin-8-yl]-[6-(oxolan-3-yloxymethyl)-2-pyridinyl]methanol.

Molecular Properties

• Compound Name: [2-(tert-butylamino)-4-(5-methylfuran-2-yl)pyrazolo[1,5-a][1,3,5]triazin-8-yl]-[6-(oxolan-3-yloxymethyl)-2-pyridinyl]methanol
• PubChem CID: 155385053
• Molecular Formula: C25H30N6O4
• Molecular Weight: 478.55 g/mol
• Exact Mass: 478.23
• IUPAC Name: [2-(tert-butylamino)-4-(5-methylfuran-2-yl)pyrazolo[1,5-a][1,3,5]triazin-8-yl]-[6-(oxolan-3-yloxymethyl)-2-pyridinyl]methanol
• SMILES: Cc1ccc(-c2nc(NC(C)(C)C)nc3c(C(O)c4cccc(COC5CCOC5)n4)cnn23)o1
• InChI: InChI=1S/C25H30N6O4/c1-15-8-9-20(35-15)23-29-24(30-25(2,3)4)28-22-18(12-26-31(22)23)21(32)19-7-5-6-16(27-19)13-34-17-10-11-33-14-17/h5-9,12,17,21,32H,10-11,13-14H2,1-4H3,(H,28,30)
• InChIKey: CQONBERJHOTWJB-UHFFFAOYSA-N
• XLogP: 3.69
• TPSA: 119.83 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 7
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	478.55
LogP ≤ 5	3.69
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of [2-(tert-butylamino)-4-(5-methylfuran-2-yl)pyrazolo[1,5-a][1,3,5]triazin-8-yl]-[6-(oxolan-3-yloxymethyl)-2-pyridinyl]methanol?

The IUPAC name of [2-(tert-butylamino)-4-(5-methylfuran-2-yl)pyrazolo[1,5-a][1,3,5]triazin-8-yl]-[6-(oxolan-3-yloxymethyl)-2-pyridinyl]methanol (CID 155385053) is [2-(tert-butylamino)-4-(5-methylfuran-2-yl)pyrazolo[1,5-a][1,3,5]triazin-8-yl]-[6-(oxolan-3-yloxymethyl)-2-pyridinyl]methanol.

What is the SMILES notation for [2-(tert-butylamino)-4-(5-methylfuran-2-yl)pyrazolo[1,5-a][1,3,5]triazin-8-yl]-[6-(oxolan-3-yloxymethyl)-2-pyridinyl]methanol?

The canonical SMILES for [2-(tert-butylamino)-4-(5-methylfuran-2-yl)pyrazolo[1,5-a][1,3,5]triazin-8-yl]-[6-(oxolan-3-yloxymethyl)-2-pyridinyl]methanol is Cc1ccc(-c2nc(NC(C)(C)C)nc3c(C(O)c4cccc(COC5CCOC5)n4)cnn23)o1.

What is the InChIKey of [2-(tert-butylamino)-4-(5-methylfuran-2-yl)pyrazolo[1,5-a][1,3,5]triazin-8-yl]-[6-(oxolan-3-yloxymethyl)-2-pyridinyl]methanol?

The InChIKey is CQONBERJHOTWJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N6O4/c1-15-8-9-20(35-15)23-29-24(30-25(2,3)4)28-22-18(12-26-31(22)23)21(32)19-7-5-6-16(27-19)13-34-17-10-11-33-14-17/h5-9,12,17,21,32H,10-11,13-14H2,1-4H3,(H,28,30).

What are the key properties of [2-(tert-butylamino)-4-(5-methylfuran-2-yl)pyrazolo[1,5-a][1,3,5]triazin-8-yl]-[6-(oxolan-3-yloxymethyl)-2-pyridinyl]methanol?

[2-(tert-butylamino)-4-(5-methylfuran-2-yl)pyrazolo[1,5-a][1,3,5]triazin-8-yl]-[6-(oxolan-3-yloxymethyl)-2-pyridinyl]methanol has a molecular weight of 478.55 g/mol, XLogP of 3.69, 7 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for [2-(tert-butylamino)-4-(5-methylfuran-2-yl)pyrazolo[1,5-a][1,3,5]triazin-8-yl]-[6-(oxolan-3-yloxymethyl)-2-pyridinyl]methanol is sourced from PubChem (CID 155385053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).