3-[4-(1-ethylpyrazolo[4,3-b]pyridin-3-yl)phenyl]-3-[1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]propan-1-ol

C30H37N5O2Si — CID 86688971

IUPAC3-[4-(1-ethylpyrazolo[4,3-b]pyridin-3-yl)phenyl]-3-[1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]propan-1-ol
SMILESCCn1nc(-c2ccc(C(CCO)c3nc4ccccc4n3COCC[Si](C)(C)C)cc2)c2ncccc21
InChIInChI=1S/C30H37N5O2Si/c1-5-35-27-11-8-17-31-29(27)28(33-35)23-14-12-22(13-15-23)24(16-18-36)30-32-25-9-6-7-10-26(25)34(30)21-37-19-20-38(2,3)4/h6-15,17,24,36H,5,16,18-21H2,1-4H3
InChIKeyYCNUCGFXDRZBAY-UHFFFAOYSA-N
MW527.75 g/mol
LogP6.29
Rot. Bonds11

About 3-[4-(1-ethylpyrazolo[4,3-b]pyridin-3-yl)phenyl]-3-[1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]propan-1-ol

3-[4-(1-ethylpyrazolo[4,3-b]pyridin-3-yl)phenyl]-3-[1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]propan-1-ol (PubChem CID 86688971) has the molecular formula C30H37N5O2Si and a molecular weight of 527.75 g/mol. Its IUPAC name is 3-[4-(1-ethylpyrazolo[4,3-b]pyridin-3-yl)phenyl]-3-[1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]propan-1-ol.

Molecular Properties

Compound Name3-[4-(1-ethylpyrazolo[4,3-b]pyridin-3-yl)phenyl]-3-[1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]propan-1-ol
PubChem CID86688971
Molecular FormulaC30H37N5O2Si
Molecular Weight527.75 g/mol
Exact Mass527.27
IUPAC Name3-[4-(1-ethylpyrazolo[4,3-b]pyridin-3-yl)phenyl]-3-[1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]propan-1-ol
SMILESCCn1nc(-c2ccc(C(CCO)c3nc4ccccc4n3COCC[Si](C)(C)C)cc2)c2ncccc21
InChIInChI=1S/C30H37N5O2Si/c1-5-35-27-11-8-17-31-29(27)28(33-35)23-14-12-22(13-15-23)24(16-18-36)30-32-25-9-6-7-10-26(25)34(30)21-37-19-20-38(2,3)4/h6-15,17,24,36H,5,16,18-21H2,1-4H3
InChIKeyYCNUCGFXDRZBAY-UHFFFAOYSA-N
XLogP6.29
TPSA77.99 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500527.75
LogP ≤ 56.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(1-ethylpyrazolo[4,3-b]pyridin-3-yl)phenyl]-3-[1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]propan-1-ol?
The IUPAC name of 3-[4-(1-ethylpyrazolo[4,3-b]pyridin-3-yl)phenyl]-3-[1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]propan-1-ol (CID 86688971) is 3-[4-(1-ethylpyrazolo[4,3-b]pyridin-3-yl)phenyl]-3-[1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]propan-1-ol.
What is the SMILES notation for 3-[4-(1-ethylpyrazolo[4,3-b]pyridin-3-yl)phenyl]-3-[1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]propan-1-ol?
The canonical SMILES for 3-[4-(1-ethylpyrazolo[4,3-b]pyridin-3-yl)phenyl]-3-[1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]propan-1-ol is CCn1nc(-c2ccc(C(CCO)c3nc4ccccc4n3COCC[Si](C)(C)C)cc2)c2ncccc21.
What is the InChIKey of 3-[4-(1-ethylpyrazolo[4,3-b]pyridin-3-yl)phenyl]-3-[1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]propan-1-ol?
The InChIKey is YCNUCGFXDRZBAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H37N5O2Si/c1-5-35-27-11-8-17-31-29(27)28(33-35)23-14-12-22(13-15-23)24(16-18-36)30-32-25-9-6-7-10-26(25)34(30)21-37-19-20-38(2,3)4/h6-15,17,24,36H,5,16,18-21H2,1-4H3.
What are the key properties of 3-[4-(1-ethylpyrazolo[4,3-b]pyridin-3-yl)phenyl]-3-[1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]propan-1-ol?
3-[4-(1-ethylpyrazolo[4,3-b]pyridin-3-yl)phenyl]-3-[1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]propan-1-ol has a molecular weight of 527.75 g/mol, XLogP of 6.29, 11 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(1-ethylpyrazolo[4,3-b]pyridin-3-yl)phenyl]-3-[1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]propan-1-ol is sourced from PubChem (CID 86688971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).