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

C21H27N3O2 — CID 24788876

IUPAC(2R)-2-[6-(2-methoxy-6-propan-2-yl-3-pyridinyl)-1,5-dimethylpyrrolo[2,3-b]pyridin-3-yl]propan-1-ol
SMILESCOc1nc(C(C)C)ccc1-c1nc2c(cc1C)c([C@@H](C)CO)cn2C
InChIInChI=1S/C21H27N3O2/c1-12(2)18-8-7-15(21(22-18)26-6)19-13(3)9-16-17(14(4)11-25)10-24(5)20(16)23-19/h7-10,12,14,25H,11H2,1-6H3/t14-/m0/s1
InChIKeyIOHFYYJWSJJAAQ-AWEZNQCLSA-N
MW353.47 g/mol
LogP4.17
Rot. Bonds5

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

(2R)-2-[6-(2-methoxy-6-propan-2-yl-3-pyridinyl)-1,5-dimethylpyrrolo[2,3-b]pyridin-3-yl]propan-1-ol (PubChem CID 24788876) has the molecular formula C21H27N3O2 and a molecular weight of 353.47 g/mol. Its IUPAC name is (2R)-2-[6-(2-methoxy-6-propan-2-yl-3-pyridinyl)-1,5-dimethylpyrrolo[2,3-b]pyridin-3-yl]propan-1-ol.

Molecular Properties

Compound Name(2R)-2-[6-(2-methoxy-6-propan-2-yl-3-pyridinyl)-1,5-dimethylpyrrolo[2,3-b]pyridin-3-yl]propan-1-ol
PubChem CID24788876
Molecular FormulaC21H27N3O2
Molecular Weight353.47 g/mol
Exact Mass353.21
IUPAC Name(2R)-2-[6-(2-methoxy-6-propan-2-yl-3-pyridinyl)-1,5-dimethylpyrrolo[2,3-b]pyridin-3-yl]propan-1-ol
SMILESCOc1nc(C(C)C)ccc1-c1nc2c(cc1C)c([C@@H](C)CO)cn2C
InChIInChI=1S/C21H27N3O2/c1-12(2)18-8-7-15(21(22-18)26-6)19-13(3)9-16-17(14(4)11-25)10-24(5)20(16)23-19/h7-10,12,14,25H,11H2,1-6H3/t14-/m0/s1
InChIKeyIOHFYYJWSJJAAQ-AWEZNQCLSA-N
XLogP4.17
TPSA60.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.47
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-[6-(2-methoxy-6-propan-2-yl-3-pyridinyl)-1,5-dimethylpyrrolo[2,3-b]pyridin-3-yl]propan-1-ol?
The IUPAC name of (2R)-2-[6-(2-methoxy-6-propan-2-yl-3-pyridinyl)-1,5-dimethylpyrrolo[2,3-b]pyridin-3-yl]propan-1-ol (CID 24788876) is (2R)-2-[6-(2-methoxy-6-propan-2-yl-3-pyridinyl)-1,5-dimethylpyrrolo[2,3-b]pyridin-3-yl]propan-1-ol.
What is the SMILES notation for (2R)-2-[6-(2-methoxy-6-propan-2-yl-3-pyridinyl)-1,5-dimethylpyrrolo[2,3-b]pyridin-3-yl]propan-1-ol?
The canonical SMILES for (2R)-2-[6-(2-methoxy-6-propan-2-yl-3-pyridinyl)-1,5-dimethylpyrrolo[2,3-b]pyridin-3-yl]propan-1-ol is COc1nc(C(C)C)ccc1-c1nc2c(cc1C)c([C@@H](C)CO)cn2C.
What is the InChIKey of (2R)-2-[6-(2-methoxy-6-propan-2-yl-3-pyridinyl)-1,5-dimethylpyrrolo[2,3-b]pyridin-3-yl]propan-1-ol?
The InChIKey is IOHFYYJWSJJAAQ-AWEZNQCLSA-N. The full InChI is InChI=1S/C21H27N3O2/c1-12(2)18-8-7-15(21(22-18)26-6)19-13(3)9-16-17(14(4)11-25)10-24(5)20(16)23-19/h7-10,12,14,25H,11H2,1-6H3/t14-/m0/s1.
What are the key properties of (2R)-2-[6-(2-methoxy-6-propan-2-yl-3-pyridinyl)-1,5-dimethylpyrrolo[2,3-b]pyridin-3-yl]propan-1-ol?
(2R)-2-[6-(2-methoxy-6-propan-2-yl-3-pyridinyl)-1,5-dimethylpyrrolo[2,3-b]pyridin-3-yl]propan-1-ol has a molecular weight of 353.47 g/mol, XLogP of 4.17, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[6-(2-methoxy-6-propan-2-yl-3-pyridinyl)-1,5-dimethylpyrrolo[2,3-b]pyridin-3-yl]propan-1-ol is sourced from PubChem (CID 24788876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).