5-[(2R)-1-ethoxybutan-2-yl]-2-(2-methoxy-6-propan-2-yl-3-pyridinyl)-3,7-dimethylpyrrolo[2,3-b]pyrazine

C23H32N4O2 — CID 58703052

IUPAC5-[(2R)-1-ethoxybutan-2-yl]-2-(2-methoxy-6-propan-2-yl-3-pyridinyl)-3,7-dimethylpyrrolo[2,3-b]pyrazine
SMILESCCOC[C@@H](CC)n1cc(C)c2nc(-c3ccc(C(C)C)nc3OC)c(C)nc21
InChIInChI=1S/C23H32N4O2/c1-8-17(13-29-9-2)27-12-15(5)20-22(27)24-16(6)21(26-20)18-10-11-19(14(3)4)25-23(18)28-7/h10-12,14,17H,8-9,13H2,1-7H3/t17-/m1/s1
InChIKeyXXHNBMYNAPCAKC-QGZVFWFLSA-N
MW396.54 g/mol
LogP5.23
Rot. Bonds8

About 5-[(2R)-1-ethoxybutan-2-yl]-2-(2-methoxy-6-propan-2-yl-3-pyridinyl)-3,7-dimethylpyrrolo[2,3-b]pyrazine

5-[(2R)-1-ethoxybutan-2-yl]-2-(2-methoxy-6-propan-2-yl-3-pyridinyl)-3,7-dimethylpyrrolo[2,3-b]pyrazine (PubChem CID 58703052) has the molecular formula C23H32N4O2 and a molecular weight of 396.54 g/mol. Its IUPAC name is 5-[(2R)-1-ethoxybutan-2-yl]-2-(2-methoxy-6-propan-2-yl-3-pyridinyl)-3,7-dimethylpyrrolo[2,3-b]pyrazine.

Molecular Properties

Compound Name5-[(2R)-1-ethoxybutan-2-yl]-2-(2-methoxy-6-propan-2-yl-3-pyridinyl)-3,7-dimethylpyrrolo[2,3-b]pyrazine
PubChem CID58703052
Molecular FormulaC23H32N4O2
Molecular Weight396.54 g/mol
Exact Mass396.25
IUPAC Name5-[(2R)-1-ethoxybutan-2-yl]-2-(2-methoxy-6-propan-2-yl-3-pyridinyl)-3,7-dimethylpyrrolo[2,3-b]pyrazine
SMILESCCOC[C@@H](CC)n1cc(C)c2nc(-c3ccc(C(C)C)nc3OC)c(C)nc21
InChIInChI=1S/C23H32N4O2/c1-8-17(13-29-9-2)27-12-15(5)20-22(27)24-16(6)21(26-20)18-10-11-19(14(3)4)25-23(18)28-7/h10-12,14,17H,8-9,13H2,1-7H3/t17-/m1/s1
InChIKeyXXHNBMYNAPCAKC-QGZVFWFLSA-N
XLogP5.23
TPSA62.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.54
LogP ≤ 55.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[(2R)-1-ethoxybutan-2-yl]-2-(2-methoxy-6-propan-2-yl-3-pyridinyl)-3,7-dimethylpyrrolo[2,3-b]pyrazine?
The IUPAC name of 5-[(2R)-1-ethoxybutan-2-yl]-2-(2-methoxy-6-propan-2-yl-3-pyridinyl)-3,7-dimethylpyrrolo[2,3-b]pyrazine (CID 58703052) is 5-[(2R)-1-ethoxybutan-2-yl]-2-(2-methoxy-6-propan-2-yl-3-pyridinyl)-3,7-dimethylpyrrolo[2,3-b]pyrazine.
What is the SMILES notation for 5-[(2R)-1-ethoxybutan-2-yl]-2-(2-methoxy-6-propan-2-yl-3-pyridinyl)-3,7-dimethylpyrrolo[2,3-b]pyrazine?
The canonical SMILES for 5-[(2R)-1-ethoxybutan-2-yl]-2-(2-methoxy-6-propan-2-yl-3-pyridinyl)-3,7-dimethylpyrrolo[2,3-b]pyrazine is CCOC[C@@H](CC)n1cc(C)c2nc(-c3ccc(C(C)C)nc3OC)c(C)nc21.
What is the InChIKey of 5-[(2R)-1-ethoxybutan-2-yl]-2-(2-methoxy-6-propan-2-yl-3-pyridinyl)-3,7-dimethylpyrrolo[2,3-b]pyrazine?
The InChIKey is XXHNBMYNAPCAKC-QGZVFWFLSA-N. The full InChI is InChI=1S/C23H32N4O2/c1-8-17(13-29-9-2)27-12-15(5)20-22(27)24-16(6)21(26-20)18-10-11-19(14(3)4)25-23(18)28-7/h10-12,14,17H,8-9,13H2,1-7H3/t17-/m1/s1.
What are the key properties of 5-[(2R)-1-ethoxybutan-2-yl]-2-(2-methoxy-6-propan-2-yl-3-pyridinyl)-3,7-dimethylpyrrolo[2,3-b]pyrazine?
5-[(2R)-1-ethoxybutan-2-yl]-2-(2-methoxy-6-propan-2-yl-3-pyridinyl)-3,7-dimethylpyrrolo[2,3-b]pyrazine has a molecular weight of 396.54 g/mol, XLogP of 5.23, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2R)-1-ethoxybutan-2-yl]-2-(2-methoxy-6-propan-2-yl-3-pyridinyl)-3,7-dimethylpyrrolo[2,3-b]pyrazine is sourced from PubChem (CID 58703052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).