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

C46H56N10O7Si — CID 158219131

IUPAC3-[1-[3-[tert-butyl(dimethyl)silyl]oxypropyl]pyrrolo[2,3-b]pyridin-3-yl]-4-(2-methylpyrazol-3-yl)pyrrole-2,5-dione;3-[1-(3-hydroxypropyl)pyrrolo[2,3-b]pyridin-3-yl]-4-(2-methylpyrazol-3-yl)pyrrole-2,5-dione;oxolane
SMILESC1CCOC1.Cn1nccc1C1=C(c2cn(CCCO)c3ncccc23)C(=O)NC1=O.Cn1nccc1C1=C(c2cn(CCCO[Si](C)(C)C(C)(C)C)c3ncccc23)C(=O)NC1=O
InChIInChI=1S/C24H31N5O3Si.C18H17N5O3.C4H8O/c1-24(2,3)33(5,6)32-14-8-13-29-15-17(16-9-7-11-25-21(16)29)19-20(23(31)27-22(19)30)18-10-12-26-28(18)4;1-22-13(5-7-20-22)15-14(17(25)21-18(15)26)12-10-23(8-3-9-24)16-11(12)4-2-6-19-16;1-2-4-5-3-1/h7,9-12,15H,8,13-14H2,1-6H3,(H,27,30,31);2,4-7,10,24H,3,8-9H2,1H3,(H,21,25,26);1-4H2
InChIKeyGDAIXUVRKDBUNR-UHFFFAOYSA-N
MW889.10 g/mol
LogP5.27
Rot. Bonds12

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

3-[1-[3-[tert-butyl(dimethyl)silyl]oxypropyl]pyrrolo[2,3-b]pyridin-3-yl]-4-(2-methylpyrazol-3-yl)pyrrole-2,5-dione;3-[1-(3-hydroxypropyl)pyrrolo[2,3-b]pyridin-3-yl]-4-(2-methylpyrazol-3-yl)pyrrole-2,5-dione;oxolane (PubChem CID 158219131) has the molecular formula C46H56N10O7Si and a molecular weight of 889.10 g/mol. Its IUPAC name is 3-[1-[3-[tert-butyl(dimethyl)silyl]oxypropyl]pyrrolo[2,3-b]pyridin-3-yl]-4-(2-methylpyrazol-3-yl)pyrrole-2,5-dione;3-[1-(3-hydroxypropyl)pyrrolo[2,3-b]pyridin-3-yl]-4-(2-methylpyrazol-3-yl)pyrrole-2,5-dione;oxolane.

Molecular Properties

Compound Name3-[1-[3-[tert-butyl(dimethyl)silyl]oxypropyl]pyrrolo[2,3-b]pyridin-3-yl]-4-(2-methylpyrazol-3-yl)pyrrole-2,5-dione;3-[1-(3-hydroxypropyl)pyrrolo[2,3-b]pyridin-3-yl]-4-(2-methylpyrazol-3-yl)pyrrole-2,5-dione;oxolane
PubChem CID158219131
Molecular FormulaC46H56N10O7Si
Molecular Weight889.10 g/mol
Exact Mass888.41
IUPAC Name3-[1-[3-[tert-butyl(dimethyl)silyl]oxypropyl]pyrrolo[2,3-b]pyridin-3-yl]-4-(2-methylpyrazol-3-yl)pyrrole-2,5-dione;3-[1-(3-hydroxypropyl)pyrrolo[2,3-b]pyridin-3-yl]-4-(2-methylpyrazol-3-yl)pyrrole-2,5-dione;oxolane
SMILESC1CCOC1.Cn1nccc1C1=C(c2cn(CCCO)c3ncccc23)C(=O)NC1=O.Cn1nccc1C1=C(c2cn(CCCO[Si](C)(C)C(C)(C)C)c3ncccc23)C(=O)NC1=O
InChIInChI=1S/C24H31N5O3Si.C18H17N5O3.C4H8O/c1-24(2,3)33(5,6)32-14-8-13-29-15-17(16-9-7-11-25-21(16)29)19-20(23(31)27-22(19)30)18-10-12-26-28(18)4;1-22-13(5-7-20-22)15-14(17(25)21-18(15)26)12-10-23(8-3-9-24)16-11(12)4-2-6-19-16;1-2-4-5-3-1/h7,9-12,15H,8,13-14H2,1-6H3,(H,27,30,31);2,4-7,10,24H,3,8-9H2,1H3,(H,21,25,26);1-4H2
InChIKeyGDAIXUVRKDBUNR-UHFFFAOYSA-N
XLogP5.27
TPSA202.31 Ų
H-Bond Donors3
H-Bond Acceptors15
Rotatable Bonds12
Heavy Atoms64
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500889.10
LogP ≤ 55.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1015

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'}

Analyze 3-[1-[3-[tert-butyl(dimethyl)silyl]oxypropyl]pyrrolo[2,3-b]pyridin-3-yl]-4-(2-methylpyrazol-3-yl)pyrrole-2,5-dione;3-[1-(3-hydroxypropyl)pyrrolo[2,3-b]pyridin-3-yl]-4-(2-methylpyrazol-3-yl)pyrrole-2,5-dione;oxolane with MolForge

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Related Compounds

3-[1-(3-Hydroxypropyl)pyrazolo[5,4-b]pyridin-3-yl]-4-(1-methylindol-3-yl)pyrrole-2,5-dione
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3-[1-(3-Hydroxypropyl)pyrrolo[2,3-b]pyridin-3-yl]-4-(1-methylpyrazol-3-yl)pyrrole-2,5-dione
CID 9998066
3-[1-(3-Hydroxypropyl)pyrrolo[2,3-b]pyridin-3-yl]-4-(1-methylpyrazol-4-yl)pyrrole-2,5-dione
CID 9998067
3-[1-(3-Hydroxypropyl)pyrrolo[2,3-b]pyridin-3-yl]-4-(2-methylpyrazol-3-yl)pyrrole-2,5-dione
CID 10043525
3-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-2-yl)-4-[1-(3-phenylpropyl)pyrrolo[2,3-b]pyridin-3-yl]pyrrole-2,5-dione
CID 10071760
3-[1-(3-Hydroxypropyl)pyrrolo[2,3-b]pyridin-3-yl]-4-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yl)pyrrole-2,5-dione
CID 10249873
3-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-2-yl)-4-[1-(3-hydroxypropyl)pyrrolo[2,3-b]pyridin-3-yl]pyrrole-2,5-dione
CID 10339558
3-[1-(3-Hydroxypropyl)pyrazol-3-yl]-4-[1-(3-hydroxypropyl)pyrrolo[2,3-b]pyridin-3-yl]pyrrole-2,5-dione
CID 10363284
3-[1-[3-[Tert-butyl(dimethyl)silyl]oxypropyl]pyrazol-3-yl]-4-[1-[3-[tert-butyl(dimethyl)silyl]oxypropyl]pyrrolo[2,3-b]pyridin-3-yl]pyrrole-2,5-dione
CID 21912008
3-[1-[3-[Tert-butyl(dimethyl)silyl]oxypropyl]pyrrolo[2,3-b]pyridin-3-yl]-4-[1-(hydroxymethyl)imidazol-4-yl]pyrrole-2,5-dione
CID 57775510
3-[1-[3-[Tert-butyl(dimethyl)silyl]oxypropyl]pyrazol-3-yl]-4-(1-butylpyrrolo[2,3-b]pyridin-3-yl)pyrrole-2,5-dione
CID 58707502

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-(2-methylpyrazol-3-yl)pyrrole-2,5-dione;3-[1-(3-hydroxypropyl)pyrrolo[2,3-b]pyridin-3-yl]-4-(2-methylpyrazol-3-yl)pyrrole-2,5-dione;oxolane?
The IUPAC name of 3-[1-[3-[tert-butyl(dimethyl)silyl]oxypropyl]pyrrolo[2,3-b]pyridin-3-yl]-4-(2-methylpyrazol-3-yl)pyrrole-2,5-dione;3-[1-(3-hydroxypropyl)pyrrolo[2,3-b]pyridin-3-yl]-4-(2-methylpyrazol-3-yl)pyrrole-2,5-dione;oxolane (CID 158219131) is 3-[1-[3-[tert-butyl(dimethyl)silyl]oxypropyl]pyrrolo[2,3-b]pyridin-3-yl]-4-(2-methylpyrazol-3-yl)pyrrole-2,5-dione;3-[1-(3-hydroxypropyl)pyrrolo[2,3-b]pyridin-3-yl]-4-(2-methylpyrazol-3-yl)pyrrole-2,5-dione;oxolane.
What is the SMILES notation for 3-[1-[3-[tert-butyl(dimethyl)silyl]oxypropyl]pyrrolo[2,3-b]pyridin-3-yl]-4-(2-methylpyrazol-3-yl)pyrrole-2,5-dione;3-[1-(3-hydroxypropyl)pyrrolo[2,3-b]pyridin-3-yl]-4-(2-methylpyrazol-3-yl)pyrrole-2,5-dione;oxolane?
The canonical SMILES for 3-[1-[3-[tert-butyl(dimethyl)silyl]oxypropyl]pyrrolo[2,3-b]pyridin-3-yl]-4-(2-methylpyrazol-3-yl)pyrrole-2,5-dione;3-[1-(3-hydroxypropyl)pyrrolo[2,3-b]pyridin-3-yl]-4-(2-methylpyrazol-3-yl)pyrrole-2,5-dione;oxolane is C1CCOC1.Cn1nccc1C1=C(c2cn(CCCO)c3ncccc23)C(=O)NC1=O.Cn1nccc1C1=C(c2cn(CCCO[Si](C)(C)C(C)(C)C)c3ncccc23)C(=O)NC1=O.
What is the InChIKey of 3-[1-[3-[tert-butyl(dimethyl)silyl]oxypropyl]pyrrolo[2,3-b]pyridin-3-yl]-4-(2-methylpyrazol-3-yl)pyrrole-2,5-dione;3-[1-(3-hydroxypropyl)pyrrolo[2,3-b]pyridin-3-yl]-4-(2-methylpyrazol-3-yl)pyrrole-2,5-dione;oxolane?
The InChIKey is GDAIXUVRKDBUNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N5O3Si.C18H17N5O3.C4H8O/c1-24(2,3)33(5,6)32-14-8-13-29-15-17(16-9-7-11-25-21(16)29)19-20(23(31)27-22(19)30)18-10-12-26-28(18)4;1-22-13(5-7-20-22)15-14(17(25)21-18(15)26)12-10-23(8-3-9-24)16-11(12)4-2-6-19-16;1-2-4-5-3-1/h7,9-12,15H,8,13-14H2,1-6H3,(H,27,30,31);2,4-7,10,24H,3,8-9H2,1H3,(H,21,25,26);1-4H2.
What are the key properties of 3-[1-[3-[tert-butyl(dimethyl)silyl]oxypropyl]pyrrolo[2,3-b]pyridin-3-yl]-4-(2-methylpyrazol-3-yl)pyrrole-2,5-dione;3-[1-(3-hydroxypropyl)pyrrolo[2,3-b]pyridin-3-yl]-4-(2-methylpyrazol-3-yl)pyrrole-2,5-dione;oxolane?
3-[1-[3-[tert-butyl(dimethyl)silyl]oxypropyl]pyrrolo[2,3-b]pyridin-3-yl]-4-(2-methylpyrazol-3-yl)pyrrole-2,5-dione;3-[1-(3-hydroxypropyl)pyrrolo[2,3-b]pyridin-3-yl]-4-(2-methylpyrazol-3-yl)pyrrole-2,5-dione;oxolane has a molecular weight of 889.10 g/mol, XLogP of 5.27, 12 rotatable bonds, 3 hydrogen bond donors, and 15 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-(2-methylpyrazol-3-yl)pyrrole-2,5-dione;3-[1-(3-hydroxypropyl)pyrrolo[2,3-b]pyridin-3-yl]-4-(2-methylpyrazol-3-yl)pyrrole-2,5-dione;oxolane is sourced from PubChem (CID 158219131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).