N-[1-[tert-butyl(diphenyl)silyl]oxy-2-(2H-tetrazol-5-yl)propan-2-yl]-8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carboxamide

C36H37F2N7O3Si — CID 131734991

IUPACN-[1-[tert-butyl(diphenyl)silyl]oxy-2-(2H-tetrazol-5-yl)propan-2-yl]-8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carboxamide
SMILESCc1nc2c(OCc3c(F)cccc3F)cccn2c1C(=O)NC(C)(CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)c1nn[nH]n1
InChIInChI=1S/C36H37F2N7O3Si/c1-24-31(45-21-13-20-30(32(45)39-24)47-22-27-28(37)18-12-19-29(27)38)33(46)40-36(5,34-41-43-44-42-34)23-48-49(35(2,3)4,25-14-8-6-9-15-25)26-16-10-7-11-17-26/h6-21H,22-23H2,1-5H3,(H,40,46)(H,41,42,43,44)
InChIKeyYMEICTDHJHQHNL-UHFFFAOYSA-N
MW681.82 g/mol
LogP5.23
Rot. Bonds11

About N-[1-[tert-butyl(diphenyl)silyl]oxy-2-(2H-tetrazol-5-yl)propan-2-yl]-8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carboxamide

N-[1-[tert-butyl(diphenyl)silyl]oxy-2-(2H-tetrazol-5-yl)propan-2-yl]-8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carboxamide (PubChem CID 131734991) has the molecular formula C36H37F2N7O3Si and a molecular weight of 681.82 g/mol. Its IUPAC name is N-[1-[tert-butyl(diphenyl)silyl]oxy-2-(2H-tetrazol-5-yl)propan-2-yl]-8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[1-[tert-butyl(diphenyl)silyl]oxy-2-(2H-tetrazol-5-yl)propan-2-yl]-8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carboxamide
PubChem CID131734991
Molecular FormulaC36H37F2N7O3Si
Molecular Weight681.82 g/mol
Exact Mass681.27
IUPAC NameN-[1-[tert-butyl(diphenyl)silyl]oxy-2-(2H-tetrazol-5-yl)propan-2-yl]-8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carboxamide
SMILESCc1nc2c(OCc3c(F)cccc3F)cccn2c1C(=O)NC(C)(CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)c1nn[nH]n1
InChIInChI=1S/C36H37F2N7O3Si/c1-24-31(45-21-13-20-30(32(45)39-24)47-22-27-28(37)18-12-19-29(27)38)33(46)40-36(5,34-41-43-44-42-34)23-48-49(35(2,3)4,25-14-8-6-9-15-25)26-16-10-7-11-17-26/h6-21H,22-23H2,1-5H3,(H,40,46)(H,41,42,43,44)
InChIKeyYMEICTDHJHQHNL-UHFFFAOYSA-N
XLogP5.23
TPSA119.32 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds11
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500681.82
LogP ≤ 55.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[1-[tert-butyl(diphenyl)silyl]oxy-2-(2H-tetrazol-5-yl)propan-2-yl]-8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carboxamide?
The IUPAC name of N-[1-[tert-butyl(diphenyl)silyl]oxy-2-(2H-tetrazol-5-yl)propan-2-yl]-8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carboxamide (CID 131734991) is N-[1-[tert-butyl(diphenyl)silyl]oxy-2-(2H-tetrazol-5-yl)propan-2-yl]-8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carboxamide.
What is the SMILES notation for N-[1-[tert-butyl(diphenyl)silyl]oxy-2-(2H-tetrazol-5-yl)propan-2-yl]-8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carboxamide?
The canonical SMILES for N-[1-[tert-butyl(diphenyl)silyl]oxy-2-(2H-tetrazol-5-yl)propan-2-yl]-8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carboxamide is Cc1nc2c(OCc3c(F)cccc3F)cccn2c1C(=O)NC(C)(CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)c1nn[nH]n1.
What is the InChIKey of N-[1-[tert-butyl(diphenyl)silyl]oxy-2-(2H-tetrazol-5-yl)propan-2-yl]-8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carboxamide?
The InChIKey is YMEICTDHJHQHNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H37F2N7O3Si/c1-24-31(45-21-13-20-30(32(45)39-24)47-22-27-28(37)18-12-19-29(27)38)33(46)40-36(5,34-41-43-44-42-34)23-48-49(35(2,3)4,25-14-8-6-9-15-25)26-16-10-7-11-17-26/h6-21H,22-23H2,1-5H3,(H,40,46)(H,41,42,43,44).
What are the key properties of N-[1-[tert-butyl(diphenyl)silyl]oxy-2-(2H-tetrazol-5-yl)propan-2-yl]-8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carboxamide?
N-[1-[tert-butyl(diphenyl)silyl]oxy-2-(2H-tetrazol-5-yl)propan-2-yl]-8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carboxamide has a molecular weight of 681.82 g/mol, XLogP of 5.23, 11 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[tert-butyl(diphenyl)silyl]oxy-2-(2H-tetrazol-5-yl)propan-2-yl]-8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carboxamide is sourced from PubChem (CID 131734991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).