1-[7-(2,2-dimethylpropyl)-5H-pyrrolo[2,3-b]pyrazin-2-yl]-2-methylpropan-1-ol

C15H23N3O — CID 68628204

IUPAC1-[7-(2,2-dimethylpropyl)-5H-pyrrolo[2,3-b]pyrazin-2-yl]-2-methylpropan-1-ol
SMILESCC(C)C(O)c1cnc2[nH]cc(CC(C)(C)C)c2n1
InChIInChI=1S/C15H23N3O/c1-9(2)13(19)11-8-17-14-12(18-11)10(7-16-14)6-15(3,4)5/h7-9,13,19H,6H2,1-5H3,(H,16,17)
InChIKeyAMJWBGXHGOSOCQ-UHFFFAOYSA-N
MW261.37 g/mol
LogP3.24
Rot. Bonds3

About 1-[7-(2,2-dimethylpropyl)-5H-pyrrolo[2,3-b]pyrazin-2-yl]-2-methylpropan-1-ol

1-[7-(2,2-dimethylpropyl)-5H-pyrrolo[2,3-b]pyrazin-2-yl]-2-methylpropan-1-ol (PubChem CID 68628204) has the molecular formula C15H23N3O and a molecular weight of 261.37 g/mol. Its IUPAC name is 1-[7-(2,2-dimethylpropyl)-5H-pyrrolo[2,3-b]pyrazin-2-yl]-2-methylpropan-1-ol.

Molecular Properties

Compound Name1-[7-(2,2-dimethylpropyl)-5H-pyrrolo[2,3-b]pyrazin-2-yl]-2-methylpropan-1-ol
PubChem CID68628204
Molecular FormulaC15H23N3O
Molecular Weight261.37 g/mol
Exact Mass261.18
IUPAC Name1-[7-(2,2-dimethylpropyl)-5H-pyrrolo[2,3-b]pyrazin-2-yl]-2-methylpropan-1-ol
SMILESCC(C)C(O)c1cnc2[nH]cc(CC(C)(C)C)c2n1
InChIInChI=1S/C15H23N3O/c1-9(2)13(19)11-8-17-14-12(18-11)10(7-16-14)6-15(3,4)5/h7-9,13,19H,6H2,1-5H3,(H,16,17)
InChIKeyAMJWBGXHGOSOCQ-UHFFFAOYSA-N
XLogP3.24
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-[7-(2,2-dimethylpropyl)-5H-pyrrolo[2,3-b]pyrazin-2-yl]-2-methylpropan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[7-(2,2-dimethylpropyl)-5H-pyrrolo[2,3-b]pyrazin-2-yl]-2-methylpropan-1-ol?
The IUPAC name of 1-[7-(2,2-dimethylpropyl)-5H-pyrrolo[2,3-b]pyrazin-2-yl]-2-methylpropan-1-ol (CID 68628204) is 1-[7-(2,2-dimethylpropyl)-5H-pyrrolo[2,3-b]pyrazin-2-yl]-2-methylpropan-1-ol.
What is the SMILES notation for 1-[7-(2,2-dimethylpropyl)-5H-pyrrolo[2,3-b]pyrazin-2-yl]-2-methylpropan-1-ol?
The canonical SMILES for 1-[7-(2,2-dimethylpropyl)-5H-pyrrolo[2,3-b]pyrazin-2-yl]-2-methylpropan-1-ol is CC(C)C(O)c1cnc2[nH]cc(CC(C)(C)C)c2n1.
What is the InChIKey of 1-[7-(2,2-dimethylpropyl)-5H-pyrrolo[2,3-b]pyrazin-2-yl]-2-methylpropan-1-ol?
The InChIKey is AMJWBGXHGOSOCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O/c1-9(2)13(19)11-8-17-14-12(18-11)10(7-16-14)6-15(3,4)5/h7-9,13,19H,6H2,1-5H3,(H,16,17).
What are the key properties of 1-[7-(2,2-dimethylpropyl)-5H-pyrrolo[2,3-b]pyrazin-2-yl]-2-methylpropan-1-ol?
1-[7-(2,2-dimethylpropyl)-5H-pyrrolo[2,3-b]pyrazin-2-yl]-2-methylpropan-1-ol has a molecular weight of 261.37 g/mol, XLogP of 3.24, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[7-(2,2-dimethylpropyl)-5H-pyrrolo[2,3-b]pyrazin-2-yl]-2-methylpropan-1-ol is sourced from PubChem (CID 68628204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).