2-methyl-3-[[(2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-yl)amino]methyl]oxolan-3-ol

C15H22N4O2 — CID 106102331

IUPAC2-methyl-3-[[(2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-yl)amino]methyl]oxolan-3-ol
SMILESCC(C)c1cc2c(NCC3(O)CCOC3C)nccn2n1
InChIInChI=1S/C15H22N4O2/c1-10(2)12-8-13-14(16-5-6-19(13)18-12)17-9-15(20)4-7-21-11(15)3/h5-6,8,10-11,20H,4,7,9H2,1-3H3,(H,16,17)
InChIKeyGSXDBLDBROAAQX-UHFFFAOYSA-N
MW290.37 g/mol
LogP1.80
Rot. Bonds4

About 2-methyl-3-[[(2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-yl)amino]methyl]oxolan-3-ol

2-methyl-3-[[(2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-yl)amino]methyl]oxolan-3-ol (PubChem CID 106102331) has the molecular formula C15H22N4O2 and a molecular weight of 290.37 g/mol. Its IUPAC name is 2-methyl-3-[[(2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-yl)amino]methyl]oxolan-3-ol.

Molecular Properties

Compound Name2-methyl-3-[[(2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-yl)amino]methyl]oxolan-3-ol
PubChem CID106102331
Molecular FormulaC15H22N4O2
Molecular Weight290.37 g/mol
Exact Mass290.17
IUPAC Name2-methyl-3-[[(2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-yl)amino]methyl]oxolan-3-ol
SMILESCC(C)c1cc2c(NCC3(O)CCOC3C)nccn2n1
InChIInChI=1S/C15H22N4O2/c1-10(2)12-8-13-14(16-5-6-19(13)18-12)17-9-15(20)4-7-21-11(15)3/h5-6,8,10-11,20H,4,7,9H2,1-3H3,(H,16,17)
InChIKeyGSXDBLDBROAAQX-UHFFFAOYSA-N
XLogP1.80
TPSA71.68 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.37
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[[(2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-yl)amino]methyl]oxolan-3-ol?
The IUPAC name of 2-methyl-3-[[(2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-yl)amino]methyl]oxolan-3-ol (CID 106102331) is 2-methyl-3-[[(2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-yl)amino]methyl]oxolan-3-ol.
What is the SMILES notation for 2-methyl-3-[[(2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-yl)amino]methyl]oxolan-3-ol?
The canonical SMILES for 2-methyl-3-[[(2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-yl)amino]methyl]oxolan-3-ol is CC(C)c1cc2c(NCC3(O)CCOC3C)nccn2n1.
What is the InChIKey of 2-methyl-3-[[(2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-yl)amino]methyl]oxolan-3-ol?
The InChIKey is GSXDBLDBROAAQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O2/c1-10(2)12-8-13-14(16-5-6-19(13)18-12)17-9-15(20)4-7-21-11(15)3/h5-6,8,10-11,20H,4,7,9H2,1-3H3,(H,16,17).
What are the key properties of 2-methyl-3-[[(2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-yl)amino]methyl]oxolan-3-ol?
2-methyl-3-[[(2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-yl)amino]methyl]oxolan-3-ol has a molecular weight of 290.37 g/mol, XLogP of 1.80, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[[(2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-yl)amino]methyl]oxolan-3-ol is sourced from PubChem (CID 106102331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).