[5-[5-[(4-chlorophenyl)methoxy]-4-methoxy-2-pyridinyl]-1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-3-yl]methanol

C30H38ClN3O3Si — CID 141263526

IUPAC[5-[5-[(4-chlorophenyl)methoxy]-4-methoxy-2-pyridinyl]-1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-3-yl]methanol
SMILESCOc1cc(-c2cnc3c(c2)c(CO)cn3[Si](C(C)C)(C(C)C)C(C)C)ncc1OCc1ccc(Cl)cc1
InChIInChI=1S/C30H38ClN3O3Si/c1-19(2)38(20(3)4,21(5)6)34-16-24(17-35)26-12-23(14-33-30(26)34)27-13-28(36-7)29(15-32-27)37-18-22-8-10-25(31)11-9-22/h8-16,19-21,35H,17-18H2,1-7H3
InChIKeyRRYUJYMMIVKQDE-UHFFFAOYSA-N
MW552.19 g/mol
LogP7.86
Rot. Bonds10

About [5-[5-[(4-chlorophenyl)methoxy]-4-methoxy-2-pyridinyl]-1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-3-yl]methanol

[5-[5-[(4-chlorophenyl)methoxy]-4-methoxy-2-pyridinyl]-1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-3-yl]methanol (PubChem CID 141263526) has the molecular formula C30H38ClN3O3Si and a molecular weight of 552.19 g/mol. Its IUPAC name is [5-[5-[(4-chlorophenyl)methoxy]-4-methoxy-2-pyridinyl]-1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-3-yl]methanol.

Molecular Properties

Compound Name[5-[5-[(4-chlorophenyl)methoxy]-4-methoxy-2-pyridinyl]-1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-3-yl]methanol
PubChem CID141263526
Molecular FormulaC30H38ClN3O3Si
Molecular Weight552.19 g/mol
Exact Mass551.24
IUPAC Name[5-[5-[(4-chlorophenyl)methoxy]-4-methoxy-2-pyridinyl]-1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-3-yl]methanol
SMILESCOc1cc(-c2cnc3c(c2)c(CO)cn3[Si](C(C)C)(C(C)C)C(C)C)ncc1OCc1ccc(Cl)cc1
InChIInChI=1S/C30H38ClN3O3Si/c1-19(2)38(20(3)4,21(5)6)34-16-24(17-35)26-12-23(14-33-30(26)34)27-13-28(36-7)29(15-32-27)37-18-22-8-10-25(31)11-9-22/h8-16,19-21,35H,17-18H2,1-7H3
InChIKeyRRYUJYMMIVKQDE-UHFFFAOYSA-N
XLogP7.86
TPSA69.40 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500552.19
LogP ≤ 57.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

[1-[(3-Chlorophenyl)methyl]-3-(6-methoxy-3-pyridinyl)pyrrolo[2,3-b]pyridin-2-yl]methanol
CID 118714144
2-(4-Benzyloxy-2,5-difluoro-phenyl)-(1-triisopropylsilanyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-methanol
CID 66678669
N-[(2-chlorophenyl)methyl]-6-fluoro-5-[[1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-3-yl]methoxy]pyridin-2-amine
CID 69109078
[5-(6-Chloro-3-pyridinyl)-2-fluoro-3-pyridinyl]-[4-methoxy-7-tri(propan-2-yl)silylpyrrolo[2,3-d]pyrimidin-5-yl]methanol
CID 123341287
[2-[2-Chloro-4-[(4-chloro-2-fluorophenyl)methoxy]-5-methoxyphenyl]-1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-3-yl]methanol
CID 140159454
[2-(2-Fluoro-5-methoxy-4-phenylmethoxyphenyl)-1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-3-yl]methanol
CID 141263524
2-[[5-[4-Amino-5-[3-fluoro-4-(4-methylpyrimidin-2-yl)oxyphenyl]-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-6-yl]-2-chloro-4-pyridinyl]oxy]ethanol
CID 155723050
[2,4-Dichloro-5-[3-[1-[[5-(hydroxymethyl)-3-pyridinyl]oxy]propan-2-yloxy]quinolin-6-yl]pyrrolo[2,3-d]pyrimidin-7-yl] thiohypofluorite
CID 169892115
2-[[5-[4-Amino-5-[3-fluoro-4-(4-methylpyrimidin-2-yl)oxycyclohexa-2,4-dien-1-yl]-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-6-yl]-2-chloro-4-pyridinyl]oxy]ethanol
CID 173898869
Trimethyl-[2-[(3-phenyl-4-pyridin-3-yloxypyrrolo[2,3-b]pyridin-1-yl)methoxy]ethyl]silane
CID 146169587
6-[[5-Chloro-3-(2,2-difluoroethoxy)-2-pyridinyl]oxy]-1,2-dimethylpyrrolo[2,3-b]pyridine
CID 171655426
[8-[(4-Chlorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridin-3-yl]methanol
CID 20458982

Frequently Asked Questions

What is the IUPAC name of [5-[5-[(4-chlorophenyl)methoxy]-4-methoxy-2-pyridinyl]-1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-3-yl]methanol?
The IUPAC name of [5-[5-[(4-chlorophenyl)methoxy]-4-methoxy-2-pyridinyl]-1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-3-yl]methanol (CID 141263526) is [5-[5-[(4-chlorophenyl)methoxy]-4-methoxy-2-pyridinyl]-1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-3-yl]methanol.
What is the SMILES notation for [5-[5-[(4-chlorophenyl)methoxy]-4-methoxy-2-pyridinyl]-1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-3-yl]methanol?
The canonical SMILES for [5-[5-[(4-chlorophenyl)methoxy]-4-methoxy-2-pyridinyl]-1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-3-yl]methanol is COc1cc(-c2cnc3c(c2)c(CO)cn3[Si](C(C)C)(C(C)C)C(C)C)ncc1OCc1ccc(Cl)cc1.
What is the InChIKey of [5-[5-[(4-chlorophenyl)methoxy]-4-methoxy-2-pyridinyl]-1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-3-yl]methanol?
The InChIKey is RRYUJYMMIVKQDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H38ClN3O3Si/c1-19(2)38(20(3)4,21(5)6)34-16-24(17-35)26-12-23(14-33-30(26)34)27-13-28(36-7)29(15-32-27)37-18-22-8-10-25(31)11-9-22/h8-16,19-21,35H,17-18H2,1-7H3.
What are the key properties of [5-[5-[(4-chlorophenyl)methoxy]-4-methoxy-2-pyridinyl]-1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-3-yl]methanol?
[5-[5-[(4-chlorophenyl)methoxy]-4-methoxy-2-pyridinyl]-1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-3-yl]methanol has a molecular weight of 552.19 g/mol, XLogP of 7.86, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[5-[(4-chlorophenyl)methoxy]-4-methoxy-2-pyridinyl]-1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-3-yl]methanol is sourced from PubChem (CID 141263526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).