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

C20H26N4O2 — CID 11268248

IUPAC2-[3-(2-methoxy-6-propan-2-yl-3-pyridinyl)-2,5-dimethylpyrrolo[2,3-b]pyrazin-7-yl]propan-1-ol
SMILESCOc1nc(C(C)C)ccc1-c1nc2c(nc1C)c(C(C)CO)cn2C
InChIInChI=1S/C20H26N4O2/c1-11(2)16-8-7-14(20(22-16)26-6)17-13(4)21-18-15(12(3)10-25)9-24(5)19(18)23-17/h7-9,11-12,25H,10H2,1-6H3
InChIKeyUVKFCQSCZADXQG-UHFFFAOYSA-N
MW354.45 g/mol
LogP3.57
Rot. Bonds5

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

2-[3-(2-methoxy-6-propan-2-yl-3-pyridinyl)-2,5-dimethylpyrrolo[2,3-b]pyrazin-7-yl]propan-1-ol (PubChem CID 11268248) has the molecular formula C20H26N4O2 and a molecular weight of 354.45 g/mol. Its IUPAC name is 2-[3-(2-methoxy-6-propan-2-yl-3-pyridinyl)-2,5-dimethylpyrrolo[2,3-b]pyrazin-7-yl]propan-1-ol.

Molecular Properties

Compound Name2-[3-(2-methoxy-6-propan-2-yl-3-pyridinyl)-2,5-dimethylpyrrolo[2,3-b]pyrazin-7-yl]propan-1-ol
PubChem CID11268248
Molecular FormulaC20H26N4O2
Molecular Weight354.45 g/mol
Exact Mass354.21
IUPAC Name2-[3-(2-methoxy-6-propan-2-yl-3-pyridinyl)-2,5-dimethylpyrrolo[2,3-b]pyrazin-7-yl]propan-1-ol
SMILESCOc1nc(C(C)C)ccc1-c1nc2c(nc1C)c(C(C)CO)cn2C
InChIInChI=1S/C20H26N4O2/c1-11(2)16-8-7-14(20(22-16)26-6)17-13(4)21-18-15(12(3)10-25)9-24(5)19(18)23-17/h7-9,11-12,25H,10H2,1-6H3
InChIKeyUVKFCQSCZADXQG-UHFFFAOYSA-N
XLogP3.57
TPSA73.06 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(2-methoxy-6-propan-2-yl-3-pyridinyl)-2,5-dimethylpyrrolo[2,3-b]pyrazin-7-yl]propan-1-ol?
The IUPAC name of 2-[3-(2-methoxy-6-propan-2-yl-3-pyridinyl)-2,5-dimethylpyrrolo[2,3-b]pyrazin-7-yl]propan-1-ol (CID 11268248) is 2-[3-(2-methoxy-6-propan-2-yl-3-pyridinyl)-2,5-dimethylpyrrolo[2,3-b]pyrazin-7-yl]propan-1-ol.
What is the SMILES notation for 2-[3-(2-methoxy-6-propan-2-yl-3-pyridinyl)-2,5-dimethylpyrrolo[2,3-b]pyrazin-7-yl]propan-1-ol?
The canonical SMILES for 2-[3-(2-methoxy-6-propan-2-yl-3-pyridinyl)-2,5-dimethylpyrrolo[2,3-b]pyrazin-7-yl]propan-1-ol is COc1nc(C(C)C)ccc1-c1nc2c(nc1C)c(C(C)CO)cn2C.
What is the InChIKey of 2-[3-(2-methoxy-6-propan-2-yl-3-pyridinyl)-2,5-dimethylpyrrolo[2,3-b]pyrazin-7-yl]propan-1-ol?
The InChIKey is UVKFCQSCZADXQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O2/c1-11(2)16-8-7-14(20(22-16)26-6)17-13(4)21-18-15(12(3)10-25)9-24(5)19(18)23-17/h7-9,11-12,25H,10H2,1-6H3.
What are the key properties of 2-[3-(2-methoxy-6-propan-2-yl-3-pyridinyl)-2,5-dimethylpyrrolo[2,3-b]pyrazin-7-yl]propan-1-ol?
2-[3-(2-methoxy-6-propan-2-yl-3-pyridinyl)-2,5-dimethylpyrrolo[2,3-b]pyrazin-7-yl]propan-1-ol has a molecular weight of 354.45 g/mol, XLogP of 3.57, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2-methoxy-6-propan-2-yl-3-pyridinyl)-2,5-dimethylpyrrolo[2,3-b]pyrazin-7-yl]propan-1-ol is sourced from PubChem (CID 11268248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).