3-[1-[3-[tert-butyl(dimethyl)silyl]oxypropyl]pyrrolo[2,3-b]pyridin-3-yl]-4-(1-methylpyrazol-3-yl)pyrrole-2,5-dione

C24H31N5O3Si — CID 58719743

IUPAC3-[1-[3-[tert-butyl(dimethyl)silyl]oxypropyl]pyrrolo[2,3-b]pyridin-3-yl]-4-(1-methylpyrazol-3-yl)pyrrole-2,5-dione
SMILESCn1ccc(C2=C(c3cn(CCCO[Si](C)(C)C(C)(C)C)c4ncccc34)C(=O)NC2=O)n1
InChIInChI=1S/C24H31N5O3Si/c1-24(2,3)33(5,6)32-14-8-12-29-15-17(16-9-7-11-25-21(16)29)19-20(23(31)26-22(19)30)18-10-13-28(4)27-18/h7,9-11,13,15H,8,12,14H2,1-6H3,(H,26,30,31)
InChIKeyBCNRLEXBEPPADM-UHFFFAOYSA-N
MW465.63 g/mol
LogP3.75
Rot. Bonds7

About 3-[1-[3-[tert-butyl(dimethyl)silyl]oxypropyl]pyrrolo[2,3-b]pyridin-3-yl]-4-(1-methylpyrazol-3-yl)pyrrole-2,5-dione

3-[1-[3-[tert-butyl(dimethyl)silyl]oxypropyl]pyrrolo[2,3-b]pyridin-3-yl]-4-(1-methylpyrazol-3-yl)pyrrole-2,5-dione (PubChem CID 58719743) has the molecular formula C24H31N5O3Si and a molecular weight of 465.63 g/mol. Its IUPAC name is 3-[1-[3-[tert-butyl(dimethyl)silyl]oxypropyl]pyrrolo[2,3-b]pyridin-3-yl]-4-(1-methylpyrazol-3-yl)pyrrole-2,5-dione.

Molecular Properties

Compound Name3-[1-[3-[tert-butyl(dimethyl)silyl]oxypropyl]pyrrolo[2,3-b]pyridin-3-yl]-4-(1-methylpyrazol-3-yl)pyrrole-2,5-dione
PubChem CID58719743
Molecular FormulaC24H31N5O3Si
Molecular Weight465.63 g/mol
Exact Mass465.22
IUPAC Name3-[1-[3-[tert-butyl(dimethyl)silyl]oxypropyl]pyrrolo[2,3-b]pyridin-3-yl]-4-(1-methylpyrazol-3-yl)pyrrole-2,5-dione
SMILESCn1ccc(C2=C(c3cn(CCCO[Si](C)(C)C(C)(C)C)c4ncccc34)C(=O)NC2=O)n1
InChIInChI=1S/C24H31N5O3Si/c1-24(2,3)33(5,6)32-14-8-12-29-15-17(16-9-7-11-25-21(16)29)19-20(23(31)26-22(19)30)18-10-13-28(4)27-18/h7,9-11,13,15H,8,12,14H2,1-6H3,(H,26,30,31)
InChIKeyBCNRLEXBEPPADM-UHFFFAOYSA-N
XLogP3.75
TPSA91.04 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.63
LogP ≤ 53.75
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'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[1-[3-[tert-butyl(dimethyl)silyl]oxypropyl]pyrrolo[2,3-b]pyridin-3-yl]-4-(1-methylpyrazol-3-yl)pyrrole-2,5-dione?
The IUPAC name of 3-[1-[3-[tert-butyl(dimethyl)silyl]oxypropyl]pyrrolo[2,3-b]pyridin-3-yl]-4-(1-methylpyrazol-3-yl)pyrrole-2,5-dione (CID 58719743) is 3-[1-[3-[tert-butyl(dimethyl)silyl]oxypropyl]pyrrolo[2,3-b]pyridin-3-yl]-4-(1-methylpyrazol-3-yl)pyrrole-2,5-dione.
What is the SMILES notation for 3-[1-[3-[tert-butyl(dimethyl)silyl]oxypropyl]pyrrolo[2,3-b]pyridin-3-yl]-4-(1-methylpyrazol-3-yl)pyrrole-2,5-dione?
The canonical SMILES for 3-[1-[3-[tert-butyl(dimethyl)silyl]oxypropyl]pyrrolo[2,3-b]pyridin-3-yl]-4-(1-methylpyrazol-3-yl)pyrrole-2,5-dione is Cn1ccc(C2=C(c3cn(CCCO[Si](C)(C)C(C)(C)C)c4ncccc34)C(=O)NC2=O)n1.
What is the InChIKey of 3-[1-[3-[tert-butyl(dimethyl)silyl]oxypropyl]pyrrolo[2,3-b]pyridin-3-yl]-4-(1-methylpyrazol-3-yl)pyrrole-2,5-dione?
The InChIKey is BCNRLEXBEPPADM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N5O3Si/c1-24(2,3)33(5,6)32-14-8-12-29-15-17(16-9-7-11-25-21(16)29)19-20(23(31)26-22(19)30)18-10-13-28(4)27-18/h7,9-11,13,15H,8,12,14H2,1-6H3,(H,26,30,31).
What are the key properties of 3-[1-[3-[tert-butyl(dimethyl)silyl]oxypropyl]pyrrolo[2,3-b]pyridin-3-yl]-4-(1-methylpyrazol-3-yl)pyrrole-2,5-dione?
3-[1-[3-[tert-butyl(dimethyl)silyl]oxypropyl]pyrrolo[2,3-b]pyridin-3-yl]-4-(1-methylpyrazol-3-yl)pyrrole-2,5-dione has a molecular weight of 465.63 g/mol, XLogP of 3.75, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[3-[tert-butyl(dimethyl)silyl]oxypropyl]pyrrolo[2,3-b]pyridin-3-yl]-4-(1-methylpyrazol-3-yl)pyrrole-2,5-dione is sourced from PubChem (CID 58719743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).