N-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-3-[[(R)-methylsulfinyl]methyl]benzamide

C17H16BrN3O2S — CID 95140224

IUPACN-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-3-[[(R)-methylsulfinyl]methyl]benzamide
SMILESC[S@@](=O)Cc1cccc(C(=O)NCc2cn3cc(Br)ccc3n2)c1
InChIInChI=1S/C17H16BrN3O2S/c1-24(23)11-12-3-2-4-13(7-12)17(22)19-8-15-10-21-9-14(18)5-6-16(21)20-15/h2-7,9-10H,8,11H2,1H3,(H,19,22)/t24-/m1/s1
InChIKeyGBAISIDTSCZBPN-XMMPIXPASA-N
MW406.31 g/mol
LogP2.91
Rot. Bonds5

About N-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-3-[[(R)-methylsulfinyl]methyl]benzamide

N-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-3-[[(R)-methylsulfinyl]methyl]benzamide (PubChem CID 95140224) has the molecular formula C17H16BrN3O2S and a molecular weight of 406.31 g/mol. Its IUPAC name is N-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-3-[[(R)-methylsulfinyl]methyl]benzamide.

Molecular Properties

Compound NameN-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-3-[[(R)-methylsulfinyl]methyl]benzamide
PubChem CID95140224
Molecular FormulaC17H16BrN3O2S
Molecular Weight406.31 g/mol
Exact Mass405.01
IUPAC NameN-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-3-[[(R)-methylsulfinyl]methyl]benzamide
SMILESC[S@@](=O)Cc1cccc(C(=O)NCc2cn3cc(Br)ccc3n2)c1
InChIInChI=1S/C17H16BrN3O2S/c1-24(23)11-12-3-2-4-13(7-12)17(22)19-8-15-10-21-9-14(18)5-6-16(21)20-15/h2-7,9-10H,8,11H2,1H3,(H,19,22)/t24-/m1/s1
InChIKeyGBAISIDTSCZBPN-XMMPIXPASA-N
XLogP2.91
TPSA63.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.31
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-3-[2-(dimethylamino)-2-oxoethoxy]benzamide
CID 55976908
N-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-3,4,5-triethoxybenzamide
CID 55976377
3-bromo-N-(imidazo[1,2-a]pyridin-2-ylmethyl)benzamide
CID 8917100
N-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-3-methyl-1,2-oxazole-5-carboxamide
CID 47067642
3-(methylsulfinylmethyl)-N-(thiophen-2-ylmethyl)benzamide
CID 46678082
3-(methylsulfinylmethyl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]benzamide
CID 86825678
N-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-3-(diethylsulfamoyl)-4-methylbenzamide
CID 55976375
N-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-3-ethyl-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide
CID 87043857
3-amino-N-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]butanamide;dihydrochloride
CID 119860105
N-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-3-nitro-4-pyrrolidin-1-ylbenzamide
CID 55976892
N-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-4-(prop-2-ynylsulfamoyl)benzamide
CID 55976642
N-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]pentanamide
CID 47343482

Frequently Asked Questions

What is the IUPAC name of N-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-3-[[(R)-methylsulfinyl]methyl]benzamide?
The IUPAC name of N-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-3-[[(R)-methylsulfinyl]methyl]benzamide (CID 95140224) is N-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-3-[[(R)-methylsulfinyl]methyl]benzamide.
What is the SMILES notation for N-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-3-[[(R)-methylsulfinyl]methyl]benzamide?
The canonical SMILES for N-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-3-[[(R)-methylsulfinyl]methyl]benzamide is C[S@@](=O)Cc1cccc(C(=O)NCc2cn3cc(Br)ccc3n2)c1.
What is the InChIKey of N-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-3-[[(R)-methylsulfinyl]methyl]benzamide?
The InChIKey is GBAISIDTSCZBPN-XMMPIXPASA-N. The full InChI is InChI=1S/C17H16BrN3O2S/c1-24(23)11-12-3-2-4-13(7-12)17(22)19-8-15-10-21-9-14(18)5-6-16(21)20-15/h2-7,9-10H,8,11H2,1H3,(H,19,22)/t24-/m1/s1.
What are the key properties of N-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-3-[[(R)-methylsulfinyl]methyl]benzamide?
N-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-3-[[(R)-methylsulfinyl]methyl]benzamide has a molecular weight of 406.31 g/mol, XLogP of 2.91, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-3-[[(R)-methylsulfinyl]methyl]benzamide is sourced from PubChem (CID 95140224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).