butan-2-yl-(5-methylpyrrolo[2,3-b]pyridin-1-yl)-di(propan-2-yl)silane

C18H30N2Si — CID 123969876

IUPACbutan-2-yl-(5-methylpyrrolo[2,3-b]pyridin-1-yl)-di(propan-2-yl)silane
SMILESCCC(C)[Si](C(C)C)(C(C)C)n1ccc2cc(C)cnc21
InChIInChI=1S/C18H30N2Si/c1-8-16(7)21(13(2)3,14(4)5)20-10-9-17-11-15(6)12-19-18(17)20/h9-14,16H,8H2,1-7H3
InChIKeyYNHCKNNTWPFSAL-UHFFFAOYSA-N
MW302.54 g/mol
LogP5.76
Rot. Bonds5

About butan-2-yl-(5-methylpyrrolo[2,3-b]pyridin-1-yl)-di(propan-2-yl)silane

butan-2-yl-(5-methylpyrrolo[2,3-b]pyridin-1-yl)-di(propan-2-yl)silane (PubChem CID 123969876) has the molecular formula C18H30N2Si and a molecular weight of 302.54 g/mol. Its IUPAC name is butan-2-yl-(5-methylpyrrolo[2,3-b]pyridin-1-yl)-di(propan-2-yl)silane.

Molecular Properties

Compound Namebutan-2-yl-(5-methylpyrrolo[2,3-b]pyridin-1-yl)-di(propan-2-yl)silane
PubChem CID123969876
Molecular FormulaC18H30N2Si
Molecular Weight302.54 g/mol
Exact Mass302.22
IUPAC Namebutan-2-yl-(5-methylpyrrolo[2,3-b]pyridin-1-yl)-di(propan-2-yl)silane
SMILESCCC(C)[Si](C(C)C)(C(C)C)n1ccc2cc(C)cnc21
InChIInChI=1S/C18H30N2Si/c1-8-16(7)21(13(2)3,14(4)5)20-10-9-17-11-15(6)12-19-18(17)20/h9-14,16H,8H2,1-7H3
InChIKeyYNHCKNNTWPFSAL-UHFFFAOYSA-N
XLogP5.76
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500302.54
LogP ≤ 55.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

tri(propan-2-yl)-[5-(trifluoromethyl)pyrrolo[2,3-b]pyridin-1-yl]silane
CID 46318196
(2R)-1-(5-methylpyrrolo[2,3-b]pyridin-1-yl)propan-2-amine
CID 170000384
1-(difluoromethyl)-5-methylpyrrolo[2,3-b]pyridine
CID 153402378
methyl 1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridine-5-carboxylate
CID 66679244
(5-methylindol-1-yl)-tri(propan-2-yl)silane
CID 24754943
2-(5-methylpyrrolo[2,3-b]pyridin-1-yl)acetic acid
CID 117223851
2-[hydroxy-[1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-5-yl]methyl]-2-propylpyrrolidine-1-carboxylic acid
CID 154168035
(2-chloropyrrolo[2,3-b]pyrazin-5-yl)-tri(propan-2-yl)silane
CID 58010187
5-methyl-1-piperidin-4-ylpyrrolo[2,3-b]pyridine
CID 117223788
3-butan-2-yl-2-(2-chloroethyl)-6-methylimidazo[4,5-b]pyridine
CID 79301558
1-(2-ethyl-6-methylimidazo[4,5-b]pyridin-3-yl)butan-2-amine
CID 82144064
2-(2-chloroethyl)-6-methyl-3-pentan-3-ylimidazo[4,5-b]pyridine
CID 79301559

Frequently Asked Questions

What is the IUPAC name of butan-2-yl-(5-methylpyrrolo[2,3-b]pyridin-1-yl)-di(propan-2-yl)silane?
The IUPAC name of butan-2-yl-(5-methylpyrrolo[2,3-b]pyridin-1-yl)-di(propan-2-yl)silane (CID 123969876) is butan-2-yl-(5-methylpyrrolo[2,3-b]pyridin-1-yl)-di(propan-2-yl)silane.
What is the SMILES notation for butan-2-yl-(5-methylpyrrolo[2,3-b]pyridin-1-yl)-di(propan-2-yl)silane?
The canonical SMILES for butan-2-yl-(5-methylpyrrolo[2,3-b]pyridin-1-yl)-di(propan-2-yl)silane is CCC(C)[Si](C(C)C)(C(C)C)n1ccc2cc(C)cnc21.
What is the InChIKey of butan-2-yl-(5-methylpyrrolo[2,3-b]pyridin-1-yl)-di(propan-2-yl)silane?
The InChIKey is YNHCKNNTWPFSAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2Si/c1-8-16(7)21(13(2)3,14(4)5)20-10-9-17-11-15(6)12-19-18(17)20/h9-14,16H,8H2,1-7H3.
What are the key properties of butan-2-yl-(5-methylpyrrolo[2,3-b]pyridin-1-yl)-di(propan-2-yl)silane?
butan-2-yl-(5-methylpyrrolo[2,3-b]pyridin-1-yl)-di(propan-2-yl)silane has a molecular weight of 302.54 g/mol, XLogP of 5.76, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for butan-2-yl-(5-methylpyrrolo[2,3-b]pyridin-1-yl)-di(propan-2-yl)silane is sourced from PubChem (CID 123969876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).