1-[[5-(4-chloro-1-phenylpyrrolo[2,3-b]pyridin-3-yl)-2-pyridinyl]oxy]-2-methylpropan-2-ol

C22H20ClN3O2 — CID 146671524

IUPAC1-[[5-(4-chloro-1-phenylpyrrolo[2,3-b]pyridin-3-yl)-2-pyridinyl]oxy]-2-methylpropan-2-ol
SMILESCC(C)(O)COc1ccc(-c2cn(-c3ccccc3)c3nccc(Cl)c23)cn1
InChIInChI=1S/C22H20ClN3O2/c1-22(2,27)14-28-19-9-8-15(12-25-19)17-13-26(16-6-4-3-5-7-16)21-20(17)18(23)10-11-24-21/h3-13,27H,14H2,1-2H3
InChIKeySGPFXTJKABHCPM-UHFFFAOYSA-N
MW393.87 g/mol
LogP4.89
Rot. Bonds5

About 1-[[5-(4-chloro-1-phenylpyrrolo[2,3-b]pyridin-3-yl)-2-pyridinyl]oxy]-2-methylpropan-2-ol

1-[[5-(4-chloro-1-phenylpyrrolo[2,3-b]pyridin-3-yl)-2-pyridinyl]oxy]-2-methylpropan-2-ol (PubChem CID 146671524) has the molecular formula C22H20ClN3O2 and a molecular weight of 393.87 g/mol. Its IUPAC name is 1-[[5-(4-chloro-1-phenylpyrrolo[2,3-b]pyridin-3-yl)-2-pyridinyl]oxy]-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-[[5-(4-chloro-1-phenylpyrrolo[2,3-b]pyridin-3-yl)-2-pyridinyl]oxy]-2-methylpropan-2-ol
PubChem CID146671524
Molecular FormulaC22H20ClN3O2
Molecular Weight393.87 g/mol
Exact Mass393.12
IUPAC Name1-[[5-(4-chloro-1-phenylpyrrolo[2,3-b]pyridin-3-yl)-2-pyridinyl]oxy]-2-methylpropan-2-ol
SMILESCC(C)(O)COc1ccc(-c2cn(-c3ccccc3)c3nccc(Cl)c23)cn1
InChIInChI=1S/C22H20ClN3O2/c1-22(2,27)14-28-19-9-8-15(12-25-19)17-13-26(16-6-4-3-5-7-16)21-20(17)18(23)10-11-24-21/h3-13,27H,14H2,1-2H3
InChIKeySGPFXTJKABHCPM-UHFFFAOYSA-N
XLogP4.89
TPSA60.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.87
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[[5-(4-chloro-1-phenylpyrrolo[2,3-b]pyridin-3-yl)-2-pyridinyl]oxy]-2-methylpropan-2-ol?
The IUPAC name of 1-[[5-(4-chloro-1-phenylpyrrolo[2,3-b]pyridin-3-yl)-2-pyridinyl]oxy]-2-methylpropan-2-ol (CID 146671524) is 1-[[5-(4-chloro-1-phenylpyrrolo[2,3-b]pyridin-3-yl)-2-pyridinyl]oxy]-2-methylpropan-2-ol.
What is the SMILES notation for 1-[[5-(4-chloro-1-phenylpyrrolo[2,3-b]pyridin-3-yl)-2-pyridinyl]oxy]-2-methylpropan-2-ol?
The canonical SMILES for 1-[[5-(4-chloro-1-phenylpyrrolo[2,3-b]pyridin-3-yl)-2-pyridinyl]oxy]-2-methylpropan-2-ol is CC(C)(O)COc1ccc(-c2cn(-c3ccccc3)c3nccc(Cl)c23)cn1.
What is the InChIKey of 1-[[5-(4-chloro-1-phenylpyrrolo[2,3-b]pyridin-3-yl)-2-pyridinyl]oxy]-2-methylpropan-2-ol?
The InChIKey is SGPFXTJKABHCPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20ClN3O2/c1-22(2,27)14-28-19-9-8-15(12-25-19)17-13-26(16-6-4-3-5-7-16)21-20(17)18(23)10-11-24-21/h3-13,27H,14H2,1-2H3.
What are the key properties of 1-[[5-(4-chloro-1-phenylpyrrolo[2,3-b]pyridin-3-yl)-2-pyridinyl]oxy]-2-methylpropan-2-ol?
1-[[5-(4-chloro-1-phenylpyrrolo[2,3-b]pyridin-3-yl)-2-pyridinyl]oxy]-2-methylpropan-2-ol has a molecular weight of 393.87 g/mol, XLogP of 4.89, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[5-(4-chloro-1-phenylpyrrolo[2,3-b]pyridin-3-yl)-2-pyridinyl]oxy]-2-methylpropan-2-ol is sourced from PubChem (CID 146671524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).