N-[(1R)-2-[tert-butyl(dimethyl)silyl]oxy-1-phenylethyl]-8-hydroxy-2-methylimidazo[1,2-a]pyridine-3-carboxamide

C23H31N3O3Si — CID 86713409

IUPACN-[(1R)-2-[tert-butyl(dimethyl)silyl]oxy-1-phenylethyl]-8-hydroxy-2-methylimidazo[1,2-a]pyridine-3-carboxamide
SMILESCc1nc2c(O)cccn2c1C(=O)N[C@@H](CO[Si](C)(C)C(C)(C)C)c1ccccc1
InChIInChI=1S/C23H31N3O3Si/c1-16-20(26-14-10-13-19(27)21(26)24-16)22(28)25-18(17-11-8-7-9-12-17)15-29-30(5,6)23(2,3)4/h7-14,18,27H,15H2,1-6H3,(H,25,28)/t18-/m0/s1
InChIKeyYPPNNSVSWQQBEX-SFHVURJKSA-N
MW425.61 g/mol
LogP4.84
Rot. Bonds6

About N-[(1R)-2-[tert-butyl(dimethyl)silyl]oxy-1-phenylethyl]-8-hydroxy-2-methylimidazo[1,2-a]pyridine-3-carboxamide

N-[(1R)-2-[tert-butyl(dimethyl)silyl]oxy-1-phenylethyl]-8-hydroxy-2-methylimidazo[1,2-a]pyridine-3-carboxamide (PubChem CID 86713409) has the molecular formula C23H31N3O3Si and a molecular weight of 425.61 g/mol. Its IUPAC name is N-[(1R)-2-[tert-butyl(dimethyl)silyl]oxy-1-phenylethyl]-8-hydroxy-2-methylimidazo[1,2-a]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(1R)-2-[tert-butyl(dimethyl)silyl]oxy-1-phenylethyl]-8-hydroxy-2-methylimidazo[1,2-a]pyridine-3-carboxamide
PubChem CID86713409
Molecular FormulaC23H31N3O3Si
Molecular Weight425.61 g/mol
Exact Mass425.21
IUPAC NameN-[(1R)-2-[tert-butyl(dimethyl)silyl]oxy-1-phenylethyl]-8-hydroxy-2-methylimidazo[1,2-a]pyridine-3-carboxamide
SMILESCc1nc2c(O)cccn2c1C(=O)N[C@@H](CO[Si](C)(C)C(C)(C)C)c1ccccc1
InChIInChI=1S/C23H31N3O3Si/c1-16-20(26-14-10-13-19(27)21(26)24-16)22(28)25-18(17-11-8-7-9-12-17)15-29-30(5,6)23(2,3)4/h7-14,18,27H,15H2,1-6H3,(H,25,28)/t18-/m0/s1
InChIKeyYPPNNSVSWQQBEX-SFHVURJKSA-N
XLogP4.84
TPSA75.86 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.61
LogP ≤ 54.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[(1R)-2-[tert-butyl(dimethyl)silyl]oxy-1-phenylethyl]-2-methyl-8-phenylmethoxyimidazo[1,2-a]pyridine-3-carboxamide
CID 86713410
N-[(1R)-2-[tert-butyl(dimethyl)silyl]oxy-1-phenylethyl]-2-methyl-8-(spiro[3.5]nonan-7-ylmethoxy)imidazo[1,2-a]pyridine-3-carboxamide
CID 90090855
8-(3,3-dimethylbutoxy)-N-[(1R)-2-hydroxy-1-phenylethyl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide
CID 154474836
N-[(1R)-2-hydroxy-1-phenylethyl]-2-methyl-8-(spiro[3.5]nonan-7-ylmethoxy)imidazo[1,2-a]pyridine-3-carboxamide
CID 90090874
8-[(2-fluoro-6-methylphenyl)methoxy]-N-[(1R)-2-hydroxy-1-phenylethyl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide
CID 90090393
tert-butyl N-[2-[tert-butyl(dimethyl)silyl]oxy-1-(2-hydroxyphenyl)ethyl]carbamate
CID 171372732
tert-butyl N-[(1S)-2-[tert-butyl(dimethyl)silyl]oxy-1-(2-hydroxyphenyl)ethyl]carbamate
CID 170552704
benzyl N-[(1S)-2-[tert-butyl(dimethyl)silyl]oxy-1-(4-chlorophenyl)ethyl]carbamate
CID 150347845
2-[(2,8-dimethylimidazo[1,2-a]pyridine-3-carbonyl)amino]-4-methylpentanoic acid
CID 82032871
methyl 3-[(1S)-1-[(8-ethoxy-2-methylimidazo[1,2-a]pyridine-3-carbonyl)amino]propyl]benzoate
CID 163745270
N-[(1R)-1-(4-fluorophenyl)-2-hydroxyethyl]-2-methyl-8-[(2,3,6-trifluorophenyl)methoxy]imidazo[1,2-a]pyridine-3-carboxamide
CID 90090948
[2-(3,4-difluorophenyl)-2-[(2-methyl-8-phenylmethoxyimidazo[1,2-a]pyridine-3-carbonyl)amino]ethyl]carbamic acid
CID 90114108

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-2-[tert-butyl(dimethyl)silyl]oxy-1-phenylethyl]-8-hydroxy-2-methylimidazo[1,2-a]pyridine-3-carboxamide?
The IUPAC name of N-[(1R)-2-[tert-butyl(dimethyl)silyl]oxy-1-phenylethyl]-8-hydroxy-2-methylimidazo[1,2-a]pyridine-3-carboxamide (CID 86713409) is N-[(1R)-2-[tert-butyl(dimethyl)silyl]oxy-1-phenylethyl]-8-hydroxy-2-methylimidazo[1,2-a]pyridine-3-carboxamide.
What is the SMILES notation for N-[(1R)-2-[tert-butyl(dimethyl)silyl]oxy-1-phenylethyl]-8-hydroxy-2-methylimidazo[1,2-a]pyridine-3-carboxamide?
The canonical SMILES for N-[(1R)-2-[tert-butyl(dimethyl)silyl]oxy-1-phenylethyl]-8-hydroxy-2-methylimidazo[1,2-a]pyridine-3-carboxamide is Cc1nc2c(O)cccn2c1C(=O)N[C@@H](CO[Si](C)(C)C(C)(C)C)c1ccccc1.
What is the InChIKey of N-[(1R)-2-[tert-butyl(dimethyl)silyl]oxy-1-phenylethyl]-8-hydroxy-2-methylimidazo[1,2-a]pyridine-3-carboxamide?
The InChIKey is YPPNNSVSWQQBEX-SFHVURJKSA-N. The full InChI is InChI=1S/C23H31N3O3Si/c1-16-20(26-14-10-13-19(27)21(26)24-16)22(28)25-18(17-11-8-7-9-12-17)15-29-30(5,6)23(2,3)4/h7-14,18,27H,15H2,1-6H3,(H,25,28)/t18-/m0/s1.
What are the key properties of N-[(1R)-2-[tert-butyl(dimethyl)silyl]oxy-1-phenylethyl]-8-hydroxy-2-methylimidazo[1,2-a]pyridine-3-carboxamide?
N-[(1R)-2-[tert-butyl(dimethyl)silyl]oxy-1-phenylethyl]-8-hydroxy-2-methylimidazo[1,2-a]pyridine-3-carboxamide has a molecular weight of 425.61 g/mol, XLogP of 4.84, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-2-[tert-butyl(dimethyl)silyl]oxy-1-phenylethyl]-8-hydroxy-2-methylimidazo[1,2-a]pyridine-3-carboxamide is sourced from PubChem (CID 86713409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).