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

C23H32N4O — CID 69408235

IUPAC(2R)-2-[2-(2-ethyl-6-propan-2-yl-3-pyridinyl)-3,7-dimethylpyrrolo[2,3-b]pyrazin-5-yl]pentan-1-ol
SMILESCCC[C@H](CO)n1cc(C)c2nc(-c3ccc(C(C)C)nc3CC)c(C)nc21
InChIInChI=1S/C23H32N4O/c1-7-9-17(13-28)27-12-15(5)21-23(27)24-16(6)22(26-21)18-10-11-20(14(3)4)25-19(18)8-2/h10-12,14,17,28H,7-9,13H2,1-6H3/t17-/m1/s1
InChIKeyCVPRZUAFWVJENE-QGZVFWFLSA-N
MW380.54 g/mol
LogP5.13
Rot. Bonds7

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

(2R)-2-[2-(2-ethyl-6-propan-2-yl-3-pyridinyl)-3,7-dimethylpyrrolo[2,3-b]pyrazin-5-yl]pentan-1-ol (PubChem CID 69408235) has the molecular formula C23H32N4O and a molecular weight of 380.54 g/mol. Its IUPAC name is (2R)-2-[2-(2-ethyl-6-propan-2-yl-3-pyridinyl)-3,7-dimethylpyrrolo[2,3-b]pyrazin-5-yl]pentan-1-ol.

Molecular Properties

Compound Name(2R)-2-[2-(2-ethyl-6-propan-2-yl-3-pyridinyl)-3,7-dimethylpyrrolo[2,3-b]pyrazin-5-yl]pentan-1-ol
PubChem CID69408235
Molecular FormulaC23H32N4O
Molecular Weight380.54 g/mol
Exact Mass380.26
IUPAC Name(2R)-2-[2-(2-ethyl-6-propan-2-yl-3-pyridinyl)-3,7-dimethylpyrrolo[2,3-b]pyrazin-5-yl]pentan-1-ol
SMILESCCC[C@H](CO)n1cc(C)c2nc(-c3ccc(C(C)C)nc3CC)c(C)nc21
InChIInChI=1S/C23H32N4O/c1-7-9-17(13-28)27-12-15(5)21-23(27)24-16(6)22(26-21)18-10-11-20(14(3)4)25-19(18)8-2/h10-12,14,17,28H,7-9,13H2,1-6H3/t17-/m1/s1
InChIKeyCVPRZUAFWVJENE-QGZVFWFLSA-N
XLogP5.13
TPSA63.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.54
LogP ≤ 55.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-[2-(2-ethyl-6-propan-2-yl-3-pyridinyl)-3,7-dimethylpyrrolo[2,3-b]pyrazin-5-yl]pentan-1-ol?
The IUPAC name of (2R)-2-[2-(2-ethyl-6-propan-2-yl-3-pyridinyl)-3,7-dimethylpyrrolo[2,3-b]pyrazin-5-yl]pentan-1-ol (CID 69408235) is (2R)-2-[2-(2-ethyl-6-propan-2-yl-3-pyridinyl)-3,7-dimethylpyrrolo[2,3-b]pyrazin-5-yl]pentan-1-ol.
What is the SMILES notation for (2R)-2-[2-(2-ethyl-6-propan-2-yl-3-pyridinyl)-3,7-dimethylpyrrolo[2,3-b]pyrazin-5-yl]pentan-1-ol?
The canonical SMILES for (2R)-2-[2-(2-ethyl-6-propan-2-yl-3-pyridinyl)-3,7-dimethylpyrrolo[2,3-b]pyrazin-5-yl]pentan-1-ol is CCC[C@H](CO)n1cc(C)c2nc(-c3ccc(C(C)C)nc3CC)c(C)nc21.
What is the InChIKey of (2R)-2-[2-(2-ethyl-6-propan-2-yl-3-pyridinyl)-3,7-dimethylpyrrolo[2,3-b]pyrazin-5-yl]pentan-1-ol?
The InChIKey is CVPRZUAFWVJENE-QGZVFWFLSA-N. The full InChI is InChI=1S/C23H32N4O/c1-7-9-17(13-28)27-12-15(5)21-23(27)24-16(6)22(26-21)18-10-11-20(14(3)4)25-19(18)8-2/h10-12,14,17,28H,7-9,13H2,1-6H3/t17-/m1/s1.
What are the key properties of (2R)-2-[2-(2-ethyl-6-propan-2-yl-3-pyridinyl)-3,7-dimethylpyrrolo[2,3-b]pyrazin-5-yl]pentan-1-ol?
(2R)-2-[2-(2-ethyl-6-propan-2-yl-3-pyridinyl)-3,7-dimethylpyrrolo[2,3-b]pyrazin-5-yl]pentan-1-ol has a molecular weight of 380.54 g/mol, XLogP of 5.13, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[2-(2-ethyl-6-propan-2-yl-3-pyridinyl)-3,7-dimethylpyrrolo[2,3-b]pyrazin-5-yl]pentan-1-ol is sourced from PubChem (CID 69408235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).