8-(3,3-dimethylbutoxy)-N-[(1R)-2-hydroxy-1-phenylethyl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide

C23H29N3O3 — CID 154474836

IUPAC8-(3,3-dimethylbutoxy)-N-[(1R)-2-hydroxy-1-phenylethyl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide
SMILESCc1nc2c(OCCC(C)(C)C)cccn2c1C(=O)N[C@@H](CO)c1ccccc1
InChIInChI=1S/C23H29N3O3/c1-16-20(22(28)25-18(15-27)17-9-6-5-7-10-17)26-13-8-11-19(21(26)24-16)29-14-12-23(2,3)4/h5-11,13,18,27H,12,14-15H2,1-4H3,(H,25,28)/t18-/m0/s1
InChIKeyFBWIVPLRKKJYJS-SFHVURJKSA-N
MW395.50 g/mol
LogP3.92
Rot. Bonds7

About 8-(3,3-dimethylbutoxy)-N-[(1R)-2-hydroxy-1-phenylethyl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide

8-(3,3-dimethylbutoxy)-N-[(1R)-2-hydroxy-1-phenylethyl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide (PubChem CID 154474836) has the molecular formula C23H29N3O3 and a molecular weight of 395.50 g/mol. Its IUPAC name is 8-(3,3-dimethylbutoxy)-N-[(1R)-2-hydroxy-1-phenylethyl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide.

Molecular Properties

Compound Name8-(3,3-dimethylbutoxy)-N-[(1R)-2-hydroxy-1-phenylethyl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide
PubChem CID154474836
Molecular FormulaC23H29N3O3
Molecular Weight395.50 g/mol
Exact Mass395.22
IUPAC Name8-(3,3-dimethylbutoxy)-N-[(1R)-2-hydroxy-1-phenylethyl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide
SMILESCc1nc2c(OCCC(C)(C)C)cccn2c1C(=O)N[C@@H](CO)c1ccccc1
InChIInChI=1S/C23H29N3O3/c1-16-20(22(28)25-18(15-27)17-9-6-5-7-10-17)26-13-8-11-19(21(26)24-16)29-14-12-23(2,3)4/h5-11,13,18,27H,12,14-15H2,1-4H3,(H,25,28)/t18-/m0/s1
InChIKeyFBWIVPLRKKJYJS-SFHVURJKSA-N
XLogP3.92
TPSA75.86 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.50
LogP ≤ 53.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

8-[(2-fluoro-6-methylphenyl)methoxy]-N-[(1R)-2-hydroxy-1-phenylethyl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide
CID 90090393
N-[(1R)-2-hydroxy-1-phenylethyl]-2-methyl-8-(spiro[3.5]nonan-7-ylmethoxy)imidazo[1,2-a]pyridine-3-carboxamide
CID 90090874
N-[(1R)-1-(4-fluorophenyl)-2-hydroxyethyl]-2-methyl-8-[(2,3,6-trifluorophenyl)methoxy]imidazo[1,2-a]pyridine-3-carboxamide
CID 90090948
N-[(1R)-2-[tert-butyl(dimethyl)silyl]oxy-1-phenylethyl]-2-methyl-8-phenylmethoxyimidazo[1,2-a]pyridine-3-carboxamide
CID 86713410
8-[(2,6-difluorophenyl)methoxy]-N-[(1R)-1-(3-fluorophenyl)-2-hydroxyethyl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide
CID 90090866
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
N-[(1R)-2-[tert-butyl(dimethyl)silyl]oxy-1-phenylethyl]-8-hydroxy-2-methylimidazo[1,2-a]pyridine-3-carboxamide
CID 86713409
8-[(2,6-difluorophenyl)methoxy]-N-[(1S,2S)-1,3-dihydroxy-1-phenylpropan-2-yl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide
CID 90091301
2-amino-8-[(2,5-difluorophenyl)methoxy]-N-[(1R)-2-hydroxy-1-phenylethyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 163848577
8-[(2-chlorophenyl)methoxy]-N-(1,3-dihydroxypropan-2-yl)-2-methylimidazo[1,2-a]pyridine-3-carboxamide
CID 90115835
methyl 3-[(1S)-1-[(8-ethoxy-2-methylimidazo[1,2-a]pyridine-3-carbonyl)amino]propyl]benzoate
CID 163745270
8-[(2,6-difluorophenyl)methoxy]-N-[(1R)-2-hydroxy-1-(2-phenyltetrazol-5-yl)ethyl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide
CID 163742259

Frequently Asked Questions

What is the IUPAC name of 8-(3,3-dimethylbutoxy)-N-[(1R)-2-hydroxy-1-phenylethyl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide?
The IUPAC name of 8-(3,3-dimethylbutoxy)-N-[(1R)-2-hydroxy-1-phenylethyl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide (CID 154474836) is 8-(3,3-dimethylbutoxy)-N-[(1R)-2-hydroxy-1-phenylethyl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide.
What is the SMILES notation for 8-(3,3-dimethylbutoxy)-N-[(1R)-2-hydroxy-1-phenylethyl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide?
The canonical SMILES for 8-(3,3-dimethylbutoxy)-N-[(1R)-2-hydroxy-1-phenylethyl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide is Cc1nc2c(OCCC(C)(C)C)cccn2c1C(=O)N[C@@H](CO)c1ccccc1.
What is the InChIKey of 8-(3,3-dimethylbutoxy)-N-[(1R)-2-hydroxy-1-phenylethyl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide?
The InChIKey is FBWIVPLRKKJYJS-SFHVURJKSA-N. The full InChI is InChI=1S/C23H29N3O3/c1-16-20(22(28)25-18(15-27)17-9-6-5-7-10-17)26-13-8-11-19(21(26)24-16)29-14-12-23(2,3)4/h5-11,13,18,27H,12,14-15H2,1-4H3,(H,25,28)/t18-/m0/s1.
What are the key properties of 8-(3,3-dimethylbutoxy)-N-[(1R)-2-hydroxy-1-phenylethyl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide?
8-(3,3-dimethylbutoxy)-N-[(1R)-2-hydroxy-1-phenylethyl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide has a molecular weight of 395.50 g/mol, XLogP of 3.92, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(3,3-dimethylbutoxy)-N-[(1R)-2-hydroxy-1-phenylethyl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide is sourced from PubChem (CID 154474836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).