(4-chloro-5-methylsulfonylpyrrolo[2,3-b]pyridin-1-yl)-tri(propan-2-yl)silane

C17H27ClN2O2SSi — CID 71258463

IUPAC(4-chloro-5-methylsulfonylpyrrolo[2,3-b]pyridin-1-yl)-tri(propan-2-yl)silane
SMILESCC(C)[Si](C(C)C)(C(C)C)n1ccc2c(Cl)c(S(C)(=O)=O)cnc21
InChIInChI=1S/C17H27ClN2O2SSi/c1-11(2)24(12(3)4,13(5)6)20-9-8-14-16(18)15(23(7,21)22)10-19-17(14)20/h8-13H,1-7H3
InChIKeyUKVGMCWFXCRNSC-UHFFFAOYSA-N
MW387.02 g/mol
LogP5.12
Rot. Bonds5

About (4-chloro-5-methylsulfonylpyrrolo[2,3-b]pyridin-1-yl)-tri(propan-2-yl)silane

(4-chloro-5-methylsulfonylpyrrolo[2,3-b]pyridin-1-yl)-tri(propan-2-yl)silane (PubChem CID 71258463) has the molecular formula C17H27ClN2O2SSi and a molecular weight of 387.02 g/mol. Its IUPAC name is (4-chloro-5-methylsulfonylpyrrolo[2,3-b]pyridin-1-yl)-tri(propan-2-yl)silane.

Molecular Properties

Compound Name(4-chloro-5-methylsulfonylpyrrolo[2,3-b]pyridin-1-yl)-tri(propan-2-yl)silane
PubChem CID71258463
Molecular FormulaC17H27ClN2O2SSi
Molecular Weight387.02 g/mol
Exact Mass386.13
IUPAC Name(4-chloro-5-methylsulfonylpyrrolo[2,3-b]pyridin-1-yl)-tri(propan-2-yl)silane
SMILESCC(C)[Si](C(C)C)(C(C)C)n1ccc2c(Cl)c(S(C)(=O)=O)cnc21
InChIInChI=1S/C17H27ClN2O2SSi/c1-11(2)24(12(3)4,13(5)6)20-9-8-14-16(18)15(23(7,21)22)10-19-17(14)20/h8-13H,1-7H3
InChIKeyUKVGMCWFXCRNSC-UHFFFAOYSA-N
XLogP5.12
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.02
LogP ≤ 55.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2-{3-[(3-Chlorophenyl)sulfonyl]-1H-pyrrolo[2,3-b]pyridin-1-yl}ethyl)-N-methylamine
CID 9950255
N-(2-{3-[(3-chlorophenyl)sulfonyl]-1H-pyrrolo[2,3-b]pyridin-1-yl}ethyl)-N,N-dimethylamine
CID 10067306
2-{3-[(3-Chlorophenyl)sulfonyl]-1H-pyrrolo[2,3-b]pyridin-1-yl}ethylamine
CID 10472158
N,N-dimethyl-2-(3-(phenylsulfonyl)-1H-pyrrolo[2,3-b]pyridin-1-yl)ethanamine
CID 11709684
4-Chloro-1-benzenesulfonyl-7-azaindole
CID 5060224
3-(2-Chloro-benzenesulfonyl)-1-(1-methyl-pyrrolidin-3-yl)-1H-pyrrolo[2,3-b]pyridine
CID 44435618
3-(3-chloro-benzenesulfonyl)-1-(1-methyl-pyrrolidin-3-yl)-1H-pyrrolo[2,3-b]pyridine
CID 44435619
3-(4-chloro-benzenesulfonyl)-1-(1-methyl-pyrrolidin-3-yl)-1H-pyrrolo[2,3-b]pyridine
CID 44435620
3-(3-chloro-benzenesulfonyl)-1-(1-ethyl-pyrrolidin-3-yl)-1H-pyrrolo[2,3-b]pyridine
CID 44435624
3-[(4-chlorophenyl)sulfonyl]-1-(1-methylpiperidin-3-yl)-1H-pyrrolo[2,3-b]pyridine
CID 44435631
1-(1-ethylpiperidin-3-yl)-3-[(4-chlorophenyl)sulfonyl]-1H-pyrrolo[2,3-b]pyridine
CID 44435632
3-[(4-chlorophenyl)sulfonyl]-1-(1-isopropylpiperidin-3-yl)-1H-pyrrolo[2,3-b]pyridine
CID 44435633

Frequently Asked Questions

What is the IUPAC name of (4-chloro-5-methylsulfonylpyrrolo[2,3-b]pyridin-1-yl)-tri(propan-2-yl)silane?
The IUPAC name of (4-chloro-5-methylsulfonylpyrrolo[2,3-b]pyridin-1-yl)-tri(propan-2-yl)silane (CID 71258463) is (4-chloro-5-methylsulfonylpyrrolo[2,3-b]pyridin-1-yl)-tri(propan-2-yl)silane.
What is the SMILES notation for (4-chloro-5-methylsulfonylpyrrolo[2,3-b]pyridin-1-yl)-tri(propan-2-yl)silane?
The canonical SMILES for (4-chloro-5-methylsulfonylpyrrolo[2,3-b]pyridin-1-yl)-tri(propan-2-yl)silane is CC(C)[Si](C(C)C)(C(C)C)n1ccc2c(Cl)c(S(C)(=O)=O)cnc21.
What is the InChIKey of (4-chloro-5-methylsulfonylpyrrolo[2,3-b]pyridin-1-yl)-tri(propan-2-yl)silane?
The InChIKey is UKVGMCWFXCRNSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27ClN2O2SSi/c1-11(2)24(12(3)4,13(5)6)20-9-8-14-16(18)15(23(7,21)22)10-19-17(14)20/h8-13H,1-7H3.
What are the key properties of (4-chloro-5-methylsulfonylpyrrolo[2,3-b]pyridin-1-yl)-tri(propan-2-yl)silane?
(4-chloro-5-methylsulfonylpyrrolo[2,3-b]pyridin-1-yl)-tri(propan-2-yl)silane has a molecular weight of 387.02 g/mol, XLogP of 5.12, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chloro-5-methylsulfonylpyrrolo[2,3-b]pyridin-1-yl)-tri(propan-2-yl)silane is sourced from PubChem (CID 71258463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).