N-[(1S)-1-(6-bromoimidazo[1,5-a]pyridin-3-yl)-2-phenylmethoxyethyl]-2,2-dimethylpropanamide

C21H24BrN3O2 — CID 58783675

IUPACN-[(1S)-1-(6-bromoimidazo[1,5-a]pyridin-3-yl)-2-phenylmethoxyethyl]-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)N[C@H](COCc1ccccc1)c1ncc2ccc(Br)cn12
InChIInChI=1S/C21H24BrN3O2/c1-21(2,3)20(26)24-18(14-27-13-15-7-5-4-6-8-15)19-23-11-17-10-9-16(22)12-25(17)19/h4-12,18H,13-14H2,1-3H3,(H,24,26)/t18-/m1/s1
InChIKeyRZANMWUXFPLFJL-GOSISDBHSA-N
MW430.35 g/mol
LogP4.52
Rot. Bonds6

About N-[(1S)-1-(6-bromoimidazo[1,5-a]pyridin-3-yl)-2-phenylmethoxyethyl]-2,2-dimethylpropanamide

N-[(1S)-1-(6-bromoimidazo[1,5-a]pyridin-3-yl)-2-phenylmethoxyethyl]-2,2-dimethylpropanamide (PubChem CID 58783675) has the molecular formula C21H24BrN3O2 and a molecular weight of 430.35 g/mol. Its IUPAC name is N-[(1S)-1-(6-bromoimidazo[1,5-a]pyridin-3-yl)-2-phenylmethoxyethyl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[(1S)-1-(6-bromoimidazo[1,5-a]pyridin-3-yl)-2-phenylmethoxyethyl]-2,2-dimethylpropanamide
PubChem CID58783675
Molecular FormulaC21H24BrN3O2
Molecular Weight430.35 g/mol
Exact Mass429.11
IUPAC NameN-[(1S)-1-(6-bromoimidazo[1,5-a]pyridin-3-yl)-2-phenylmethoxyethyl]-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)N[C@H](COCc1ccccc1)c1ncc2ccc(Br)cn12
InChIInChI=1S/C21H24BrN3O2/c1-21(2,3)20(26)24-18(14-27-13-15-7-5-4-6-8-15)19-23-11-17-10-9-16(22)12-25(17)19/h4-12,18H,13-14H2,1-3H3,(H,24,26)/t18-/m1/s1
InChIKeyRZANMWUXFPLFJL-GOSISDBHSA-N
XLogP4.52
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.35
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-[(1S)-1-(6-bromo-8-phenoxy-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-2-phenylmethoxyethyl]-2-methylpropanamide
CID 58784152
2-amino-N-[(1S)-1-(6-bromo-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-2-phenylmethoxyethyl]-2-methylpropanamide;tert-butyl N-[(2R)-1-[2-(5-bromo-2-pyridinyl)hydrazinyl]-1-oxo-3-phenylmethoxypropan-2-yl]carbamate;hydrochloride
CID 158084594
2-amino-2-methyl-N-[(1S)-1-(6-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-2-phenylmethoxyethyl]propanamide
CID 10044493
(2R)-2-(2,2-dimethylpropanoylamino)-3-phenylmethoxypropanoic acid
CID 59970231
[3-[(1S)-1-[(2-amino-2-methylpropanoyl)amino]-2-phenylmethoxyethyl]imidazo[1,5-a]pyridin-5-yl]methyl 2-methylpyrrolidine-1-carboxylate
CID 70927527
2-amino-N-[(1S)-1-(6-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-2-phenylmethoxyethyl]-2-methylpropanamide
CID 10068827
2-amino-2-methyl-N-[(1S)-1-(6-methylsulfanyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-2-phenylmethoxyethyl]propanamide
CID 70800627
[3-[(1S)-1-[(2-amino-2-methylpropanoyl)amino]-2-phenylmethoxyethyl]imidazo[1,5-a]pyridin-5-yl]methyl 4,4-difluoro-5-hydroxypentanoate
CID 58431902
2-amino-2-methyl-N-[(1S)-2-phenylmethoxy-1-(8-phenylmethoxy-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]propanamide;methane
CID 159226946
[3-[(1S)-1-[(2-amino-2-methylpropanoyl)amino]-2-phenylmethoxyethyl]imidazo[1,5-a]pyridin-5-yl]methyl 3,4-dihydro-1H-isoquinoline-2-carboxylate;methane
CID 162052064
propan-2-yl 3-[(1S)-1-[(2-amino-2-methylpropanoyl)amino]-2-phenylmethoxyethyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxylate
CID 58431964
N-[1-[5-[(2-cyanophenyl)methylsulfanyl]-4-methyl-1,2,4-triazol-3-yl]-2-phenylmethoxyethyl]-2,2-dimethylpropanamide
CID 23404401

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(6-bromoimidazo[1,5-a]pyridin-3-yl)-2-phenylmethoxyethyl]-2,2-dimethylpropanamide?
The IUPAC name of N-[(1S)-1-(6-bromoimidazo[1,5-a]pyridin-3-yl)-2-phenylmethoxyethyl]-2,2-dimethylpropanamide (CID 58783675) is N-[(1S)-1-(6-bromoimidazo[1,5-a]pyridin-3-yl)-2-phenylmethoxyethyl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[(1S)-1-(6-bromoimidazo[1,5-a]pyridin-3-yl)-2-phenylmethoxyethyl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[(1S)-1-(6-bromoimidazo[1,5-a]pyridin-3-yl)-2-phenylmethoxyethyl]-2,2-dimethylpropanamide is CC(C)(C)C(=O)N[C@H](COCc1ccccc1)c1ncc2ccc(Br)cn12.
What is the InChIKey of N-[(1S)-1-(6-bromoimidazo[1,5-a]pyridin-3-yl)-2-phenylmethoxyethyl]-2,2-dimethylpropanamide?
The InChIKey is RZANMWUXFPLFJL-GOSISDBHSA-N. The full InChI is InChI=1S/C21H24BrN3O2/c1-21(2,3)20(26)24-18(14-27-13-15-7-5-4-6-8-15)19-23-11-17-10-9-16(22)12-25(17)19/h4-12,18H,13-14H2,1-3H3,(H,24,26)/t18-/m1/s1.
What are the key properties of N-[(1S)-1-(6-bromoimidazo[1,5-a]pyridin-3-yl)-2-phenylmethoxyethyl]-2,2-dimethylpropanamide?
N-[(1S)-1-(6-bromoimidazo[1,5-a]pyridin-3-yl)-2-phenylmethoxyethyl]-2,2-dimethylpropanamide has a molecular weight of 430.35 g/mol, XLogP of 4.52, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(6-bromoimidazo[1,5-a]pyridin-3-yl)-2-phenylmethoxyethyl]-2,2-dimethylpropanamide is sourced from PubChem (CID 58783675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).