5-[1-[6-[1-[tert-butyl(dimethyl)silyl]oxyethyl]imidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]-N-cyclopropyl-2-fluoro-4-methylbenzamide;N-cyclopropyl-2-fluoro-5-[1-[6-(1-hydroxyethyl)imidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]-4-methylbenzamide;oxolane;tetrabutylazanium;fluoride

C72H102F3N11O5Si — CID 158106782

IUPAC5-[1-[6-[1-[tert-butyl(dimethyl)silyl]oxyethyl]imidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]-N-cyclopropyl-2-fluoro-4-methylbenzamide;N-cyclopropyl-2-fluoro-5-[1-[6-(1-hydroxyethyl)imidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]-4-methylbenzamide;oxolane;tetrabutylazanium;fluoride
SMILESC1CCOC1.CCCC[N+](CCCC)(CCCC)CCCC.Cc1cc(F)c(C(=O)NC2CC2)cc1-c1cnn(-c2cnc3ccc(C(C)O)cn23)c1.Cc1cc(F)c(C(=O)NC2CC2)cc1-c1cnn(-c2cnc3ccc(C(C)O[Si](C)(C)C(C)(C)C)cn23)c1.[F-]
InChIInChI=1S/C29H36FN5O2Si.C23H22FN5O2.C16H36N.C4H8O.FH/c1-18-12-25(30)24(28(36)33-22-9-10-22)13-23(18)21-14-32-35(17-21)27-15-31-26-11-8-20(16-34(26)27)19(2)37-38(6,7)29(3,4)5;1-13-7-20(24)19(23(31)27-17-4-5-17)8-18(13)16-9-26-29(12-16)22-10-25-21-6-3-15(14(2)30)11-28(21)22;1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4;1-2-4-5-3-1;/h8,11-17,19,22H,9-10H2,1-7H3,(H,33,36);3,6-12,14,17,30H,4-5H2,1-2H3,(H,27,31);5-16H2,1-4H3;1-4H2;1H/q;;+1;;/p-1
InChIKeyFPXWSFYBIQLYFP-UHFFFAOYSA-M
MW1286.76 g/mol
LogP12.99
Rot. Bonds24

About 5-[1-[6-[1-[tert-butyl(dimethyl)silyl]oxyethyl]imidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]-N-cyclopropyl-2-fluoro-4-methylbenzamide;N-cyclopropyl-2-fluoro-5-[1-[6-(1-hydroxyethyl)imidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]-4-methylbenzamide;oxolane;tetrabutylazanium;fluoride

5-[1-[6-[1-[tert-butyl(dimethyl)silyl]oxyethyl]imidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]-N-cyclopropyl-2-fluoro-4-methylbenzamide;N-cyclopropyl-2-fluoro-5-[1-[6-(1-hydroxyethyl)imidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]-4-methylbenzamide;oxolane;tetrabutylazanium;fluoride (PubChem CID 158106782) has the molecular formula C72H102F3N11O5Si and a molecular weight of 1286.76 g/mol. Its IUPAC name is 5-[1-[6-[1-[tert-butyl(dimethyl)silyl]oxyethyl]imidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]-N-cyclopropyl-2-fluoro-4-methylbenzamide;N-cyclopropyl-2-fluoro-5-[1-[6-(1-hydroxyethyl)imidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]-4-methylbenzamide;oxolane;tetrabutylazanium;fluoride.

Molecular Properties

Compound Name5-[1-[6-[1-[tert-butyl(dimethyl)silyl]oxyethyl]imidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]-N-cyclopropyl-2-fluoro-4-methylbenzamide;N-cyclopropyl-2-fluoro-5-[1-[6-(1-hydroxyethyl)imidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]-4-methylbenzamide;oxolane;tetrabutylazanium;fluoride
PubChem CID158106782
Molecular FormulaC72H102F3N11O5Si
Molecular Weight1286.76 g/mol
Exact Mass1285.78
IUPAC Name5-[1-[6-[1-[tert-butyl(dimethyl)silyl]oxyethyl]imidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]-N-cyclopropyl-2-fluoro-4-methylbenzamide;N-cyclopropyl-2-fluoro-5-[1-[6-(1-hydroxyethyl)imidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]-4-methylbenzamide;oxolane;tetrabutylazanium;fluoride
SMILESC1CCOC1.CCCC[N+](CCCC)(CCCC)CCCC.Cc1cc(F)c(C(=O)NC2CC2)cc1-c1cnn(-c2cnc3ccc(C(C)O)cn23)c1.Cc1cc(F)c(C(=O)NC2CC2)cc1-c1cnn(-c2cnc3ccc(C(C)O[Si](C)(C)C(C)(C)C)cn23)c1.[F-]
InChIInChI=1S/C29H36FN5O2Si.C23H22FN5O2.C16H36N.C4H8O.FH/c1-18-12-25(30)24(28(36)33-22-9-10-22)13-23(18)21-14-32-35(17-21)27-15-31-26-11-8-20(16-34(26)27)19(2)37-38(6,7)29(3,4)5;1-13-7-20(24)19(23(31)27-17-4-5-17)8-18(13)16-9-26-29(12-16)22-10-25-21-6-3-15(14(2)30)11-28(21)22;1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4;1-2-4-5-3-1;/h8,11-17,19,22H,9-10H2,1-7H3,(H,33,36);3,6-12,14,17,30H,4-5H2,1-2H3,(H,27,31);5-16H2,1-4H3;1-4H2;1H/q;;+1;;/p-1
InChIKeyFPXWSFYBIQLYFP-UHFFFAOYSA-M
XLogP12.99
TPSA167.13 Ų
H-Bond Donors3
H-Bond Acceptors13
Rotatable Bonds24
Heavy Atoms92
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001286.76
LogP ≤ 512.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1013

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

Analyze 5-[1-[6-[1-[tert-butyl(dimethyl)silyl]oxyethyl]imidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]-N-cyclopropyl-2-fluoro-4-methylbenzamide;N-cyclopropyl-2-fluoro-5-[1-[6-(1-hydroxyethyl)imidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]-4-methylbenzamide;oxolane;tetrabutylazanium;fluoride with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-[1-[6-[1-[tert-butyl(dimethyl)silyl]oxyethyl]imidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]-N-cyclopropyl-2-fluoro-4-methylbenzamide;N-cyclopropyl-2-fluoro-5-[1-[6-(1-hydroxyethyl)imidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]-4-methylbenzamide;oxolane;tetrabutylazanium;fluoride?
The IUPAC name of 5-[1-[6-[1-[tert-butyl(dimethyl)silyl]oxyethyl]imidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]-N-cyclopropyl-2-fluoro-4-methylbenzamide;N-cyclopropyl-2-fluoro-5-[1-[6-(1-hydroxyethyl)imidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]-4-methylbenzamide;oxolane;tetrabutylazanium;fluoride (CID 158106782) is 5-[1-[6-[1-[tert-butyl(dimethyl)silyl]oxyethyl]imidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]-N-cyclopropyl-2-fluoro-4-methylbenzamide;N-cyclopropyl-2-fluoro-5-[1-[6-(1-hydroxyethyl)imidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]-4-methylbenzamide;oxolane;tetrabutylazanium;fluoride.
What is the SMILES notation for 5-[1-[6-[1-[tert-butyl(dimethyl)silyl]oxyethyl]imidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]-N-cyclopropyl-2-fluoro-4-methylbenzamide;N-cyclopropyl-2-fluoro-5-[1-[6-(1-hydroxyethyl)imidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]-4-methylbenzamide;oxolane;tetrabutylazanium;fluoride?
The canonical SMILES for 5-[1-[6-[1-[tert-butyl(dimethyl)silyl]oxyethyl]imidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]-N-cyclopropyl-2-fluoro-4-methylbenzamide;N-cyclopropyl-2-fluoro-5-[1-[6-(1-hydroxyethyl)imidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]-4-methylbenzamide;oxolane;tetrabutylazanium;fluoride is C1CCOC1.CCCC[N+](CCCC)(CCCC)CCCC.Cc1cc(F)c(C(=O)NC2CC2)cc1-c1cnn(-c2cnc3ccc(C(C)O)cn23)c1.Cc1cc(F)c(C(=O)NC2CC2)cc1-c1cnn(-c2cnc3ccc(C(C)O[Si](C)(C)C(C)(C)C)cn23)c1.[F-].
What is the InChIKey of 5-[1-[6-[1-[tert-butyl(dimethyl)silyl]oxyethyl]imidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]-N-cyclopropyl-2-fluoro-4-methylbenzamide;N-cyclopropyl-2-fluoro-5-[1-[6-(1-hydroxyethyl)imidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]-4-methylbenzamide;oxolane;tetrabutylazanium;fluoride?
The InChIKey is FPXWSFYBIQLYFP-UHFFFAOYSA-M. The full InChI is InChI=1S/C29H36FN5O2Si.C23H22FN5O2.C16H36N.C4H8O.FH/c1-18-12-25(30)24(28(36)33-22-9-10-22)13-23(18)21-14-32-35(17-21)27-15-31-26-11-8-20(16-34(26)27)19(2)37-38(6,7)29(3,4)5;1-13-7-20(24)19(23(31)27-17-4-5-17)8-18(13)16-9-26-29(12-16)22-10-25-21-6-3-15(14(2)30)11-28(21)22;1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4;1-2-4-5-3-1;/h8,11-17,19,22H,9-10H2,1-7H3,(H,33,36);3,6-12,14,17,30H,4-5H2,1-2H3,(H,27,31);5-16H2,1-4H3;1-4H2;1H/q;;+1;;/p-1.
What are the key properties of 5-[1-[6-[1-[tert-butyl(dimethyl)silyl]oxyethyl]imidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]-N-cyclopropyl-2-fluoro-4-methylbenzamide;N-cyclopropyl-2-fluoro-5-[1-[6-(1-hydroxyethyl)imidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]-4-methylbenzamide;oxolane;tetrabutylazanium;fluoride?
5-[1-[6-[1-[tert-butyl(dimethyl)silyl]oxyethyl]imidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]-N-cyclopropyl-2-fluoro-4-methylbenzamide;N-cyclopropyl-2-fluoro-5-[1-[6-(1-hydroxyethyl)imidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]-4-methylbenzamide;oxolane;tetrabutylazanium;fluoride has a molecular weight of 1286.76 g/mol, XLogP of 12.99, 24 rotatable bonds, 3 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-[6-[1-[tert-butyl(dimethyl)silyl]oxyethyl]imidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]-N-cyclopropyl-2-fluoro-4-methylbenzamide;N-cyclopropyl-2-fluoro-5-[1-[6-(1-hydroxyethyl)imidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]-4-methylbenzamide;oxolane;tetrabutylazanium;fluoride is sourced from PubChem (CID 158106782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).