2-[2-(2-methoxy-6-propan-2-yl-3-pyridinyl)-3,7-dimethylpyrrolo[2,3-b]pyrazin-5-yl]butan-1-ol

C21H28N4O2 — CID 11257166

IUPAC2-[2-(2-methoxy-6-propan-2-yl-3-pyridinyl)-3,7-dimethylpyrrolo[2,3-b]pyrazin-5-yl]butan-1-ol
SMILESCCC(CO)n1cc(C)c2nc(-c3ccc(C(C)C)nc3OC)c(C)nc21
InChIInChI=1S/C21H28N4O2/c1-7-15(11-26)25-10-13(4)18-20(25)22-14(5)19(24-18)16-8-9-17(12(2)3)23-21(16)27-6/h8-10,12,15,26H,7,11H2,1-6H3
InChIKeyNYXVPWINMWFPPJ-UHFFFAOYSA-N
MW368.48 g/mol
LogP4.19
Rot. Bonds6

About 2-[2-(2-methoxy-6-propan-2-yl-3-pyridinyl)-3,7-dimethylpyrrolo[2,3-b]pyrazin-5-yl]butan-1-ol

2-[2-(2-methoxy-6-propan-2-yl-3-pyridinyl)-3,7-dimethylpyrrolo[2,3-b]pyrazin-5-yl]butan-1-ol (PubChem CID 11257166) has the molecular formula C21H28N4O2 and a molecular weight of 368.48 g/mol. Its IUPAC name is 2-[2-(2-methoxy-6-propan-2-yl-3-pyridinyl)-3,7-dimethylpyrrolo[2,3-b]pyrazin-5-yl]butan-1-ol.

Molecular Properties

Compound Name2-[2-(2-methoxy-6-propan-2-yl-3-pyridinyl)-3,7-dimethylpyrrolo[2,3-b]pyrazin-5-yl]butan-1-ol
PubChem CID11257166
Molecular FormulaC21H28N4O2
Molecular Weight368.48 g/mol
Exact Mass368.22
IUPAC Name2-[2-(2-methoxy-6-propan-2-yl-3-pyridinyl)-3,7-dimethylpyrrolo[2,3-b]pyrazin-5-yl]butan-1-ol
SMILESCCC(CO)n1cc(C)c2nc(-c3ccc(C(C)C)nc3OC)c(C)nc21
InChIInChI=1S/C21H28N4O2/c1-7-15(11-26)25-10-13(4)18-20(25)22-14(5)19(24-18)16-8-9-17(12(2)3)23-21(16)27-6/h8-10,12,15,26H,7,11H2,1-6H3
InChIKeyNYXVPWINMWFPPJ-UHFFFAOYSA-N
XLogP4.19
TPSA73.06 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.48
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[2-(2-methoxy-6-propan-2-yl-3-pyridinyl)-3,7-dimethylpyrrolo[2,3-b]pyrazin-5-yl]butan-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 2-[2-(2-methoxy-6-propan-2-yl-3-pyridinyl)-3,7-dimethylpyrrolo[2,3-b]pyrazin-5-yl]butan-1-ol?
The IUPAC name of 2-[2-(2-methoxy-6-propan-2-yl-3-pyridinyl)-3,7-dimethylpyrrolo[2,3-b]pyrazin-5-yl]butan-1-ol (CID 11257166) is 2-[2-(2-methoxy-6-propan-2-yl-3-pyridinyl)-3,7-dimethylpyrrolo[2,3-b]pyrazin-5-yl]butan-1-ol.
What is the SMILES notation for 2-[2-(2-methoxy-6-propan-2-yl-3-pyridinyl)-3,7-dimethylpyrrolo[2,3-b]pyrazin-5-yl]butan-1-ol?
The canonical SMILES for 2-[2-(2-methoxy-6-propan-2-yl-3-pyridinyl)-3,7-dimethylpyrrolo[2,3-b]pyrazin-5-yl]butan-1-ol is CCC(CO)n1cc(C)c2nc(-c3ccc(C(C)C)nc3OC)c(C)nc21.
What is the InChIKey of 2-[2-(2-methoxy-6-propan-2-yl-3-pyridinyl)-3,7-dimethylpyrrolo[2,3-b]pyrazin-5-yl]butan-1-ol?
The InChIKey is NYXVPWINMWFPPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N4O2/c1-7-15(11-26)25-10-13(4)18-20(25)22-14(5)19(24-18)16-8-9-17(12(2)3)23-21(16)27-6/h8-10,12,15,26H,7,11H2,1-6H3.
What are the key properties of 2-[2-(2-methoxy-6-propan-2-yl-3-pyridinyl)-3,7-dimethylpyrrolo[2,3-b]pyrazin-5-yl]butan-1-ol?
2-[2-(2-methoxy-6-propan-2-yl-3-pyridinyl)-3,7-dimethylpyrrolo[2,3-b]pyrazin-5-yl]butan-1-ol has a molecular weight of 368.48 g/mol, XLogP of 4.19, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-methoxy-6-propan-2-yl-3-pyridinyl)-3,7-dimethylpyrrolo[2,3-b]pyrazin-5-yl]butan-1-ol is sourced from PubChem (CID 11257166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).