2-[1-[4-(8-bromoimidazo[1,2-a]pyridin-2-yl)phenyl]-3-(3-hydroxypropanoylamino)propan-2-yl]-3-chloro-4-propan-2-yloxybenzamide

C29H30BrClN4O4 — CID 173059707

IUPAC2-[1-[4-(8-bromoimidazo[1,2-a]pyridin-2-yl)phenyl]-3-(3-hydroxypropanoylamino)propan-2-yl]-3-chloro-4-propan-2-yloxybenzamide
SMILESCC(C)Oc1ccc(C(N)=O)c(C(CNC(=O)CCO)Cc2ccc(-c3cn4cccc(Br)c4n3)cc2)c1Cl
InChIInChI=1S/C29H30BrClN4O4/c1-17(2)39-24-10-9-21(28(32)38)26(27(24)31)20(15-33-25(37)11-13-36)14-18-5-7-19(8-6-18)23-16-35-12-3-4-22(30)29(35)34-23/h3-10,12,16-17,20,36H,11,13-15H2,1-2H3,(H2,32,38)(H,33,37)
InChIKeyHJIYATJIFWRQMD-UHFFFAOYSA-N
MW613.94 g/mol
LogP5.13
Rot. Bonds11

About 2-[1-[4-(8-bromoimidazo[1,2-a]pyridin-2-yl)phenyl]-3-(3-hydroxypropanoylamino)propan-2-yl]-3-chloro-4-propan-2-yloxybenzamide

2-[1-[4-(8-bromoimidazo[1,2-a]pyridin-2-yl)phenyl]-3-(3-hydroxypropanoylamino)propan-2-yl]-3-chloro-4-propan-2-yloxybenzamide (PubChem CID 173059707) has the molecular formula C29H30BrClN4O4 and a molecular weight of 613.94 g/mol. Its IUPAC name is 2-[1-[4-(8-bromoimidazo[1,2-a]pyridin-2-yl)phenyl]-3-(3-hydroxypropanoylamino)propan-2-yl]-3-chloro-4-propan-2-yloxybenzamide.

Molecular Properties

Compound Name2-[1-[4-(8-bromoimidazo[1,2-a]pyridin-2-yl)phenyl]-3-(3-hydroxypropanoylamino)propan-2-yl]-3-chloro-4-propan-2-yloxybenzamide
PubChem CID173059707
Molecular FormulaC29H30BrClN4O4
Molecular Weight613.94 g/mol
Exact Mass612.11
IUPAC Name2-[1-[4-(8-bromoimidazo[1,2-a]pyridin-2-yl)phenyl]-3-(3-hydroxypropanoylamino)propan-2-yl]-3-chloro-4-propan-2-yloxybenzamide
SMILESCC(C)Oc1ccc(C(N)=O)c(C(CNC(=O)CCO)Cc2ccc(-c3cn4cccc(Br)c4n3)cc2)c1Cl
InChIInChI=1S/C29H30BrClN4O4/c1-17(2)39-24-10-9-21(28(32)38)26(27(24)31)20(15-33-25(37)11-13-36)14-18-5-7-19(8-6-18)23-16-35-12-3-4-22(30)29(35)34-23/h3-10,12,16-17,20,36H,11,13-15H2,1-2H3,(H2,32,38)(H,33,37)
InChIKeyHJIYATJIFWRQMD-UHFFFAOYSA-N
XLogP5.13
TPSA118.95 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500613.94
LogP ≤ 55.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 2-[1-[4-(8-bromoimidazo[1,2-a]pyridin-2-yl)phenyl]-3-(3-hydroxypropanoylamino)propan-2-yl]-3-chloro-4-propan-2-yloxybenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[1-(2-aminopropanoylamino)-3-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]propan-2-yl]-3-chloro-4-propan-2-yloxybenzamide
CID 173059137
2-[1-(2-aminopropanoylamino)-3-[4-[8-(1-hydroxyethyl)imidazo[1,2-a]pyridin-2-yl]phenyl]propan-2-yl]-3-chloro-4-propan-2-yloxybenzamide
CID 173059130
2-[1-[4-(8-bromoimidazo[1,2-a]pyridin-2-yl)phenyl]-3-(2-oxoimidazolidin-1-yl)propan-2-yl]-3-chloro-4-propan-2-yloxybenzamide
CID 173059135
3-cyano-2-[1-[(2-hydroxyacetyl)amino]-3-[4-[8-(1-hydroxyethyl)imidazo[1,2-a]pyridin-2-yl]phenyl]propan-2-yl]-4-propan-2-yloxybenzamide
CID 173059562
N-[1-(3-aminopropanoylamino)-3-[4-(8-bromoimidazo[1,2-a]pyridin-2-yl)phenyl]propan-2-yl]-3-chloro-4-propan-2-yloxybenzamide
CID 68652176
N-[(2S)-1-(3-aminopropanoylamino)-3-[4-(8-bromoimidazo[1,2-a]pyridin-2-yl)phenyl]propan-2-yl]-3-methyl-4-propan-2-yloxybenzamide
CID 70959596
N-[1-[4-(8-bromoimidazo[1,2-a]pyridin-2-yl)phenyl]-3-[[2-(dimethylamino)acetyl]amino]propan-2-yl]-3-chloro-4-propan-2-yloxybenzamide
CID 68651904
2,3-dichloro-N-[4-hydroxy-1-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]butan-2-yl]-4-propan-2-yloxybenzamide
CID 68653901
2-[1-[4-[2-acetyl-1-(2,2,2-trifluoroethyl)imidazol-4-yl]phenyl]-4-hydroxybutan-2-yl]-3-chloro-4-propan-2-yloxybenzamide
CID 173059706
3-chloro-2-[4-hydroxy-1-[4-[2-(N-hydroxy-C-methylcarbonimidoyl)-1-methylimidazol-4-yl]phenyl]butan-2-yl]-4-propan-2-yloxybenzamide;3-cyano-2-[1-[(2-hydroxyacetyl)amino]-3-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]propan-2-yl]-4-propan-2-yloxybenzamide;3-cyano-N-[4-hydroxy-1-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]butan-2-yl]-4-(1,1,1-trifluoropropan-2-yloxy)benzamide
CID 173059727
N-[1-[4-(8-bromoimidazo[1,2-a]pyridin-2-yl)phenyl]-4-hydroxybutan-2-yl]-3-cyano-4-propan-2-yloxybenzamide
CID 68652012
3-cyano-2-[1-[(2-hydroxyacetyl)amino]-3-[4-[8-(1-hydroxyethyl)imidazo[1,2-a]pyridin-2-yl]phenyl]propan-2-yl]-4-propan-2-yloxybenzamide;3-cyano-N-[4-hydroxy-1-[4-[8-(2-hydroxypropan-2-yl)imidazo[1,2-a]pyridin-2-yl]phenyl]butan-2-yl]-4-propan-2-yloxybenzamide;methyl N-[1-[4-[4-[2-(6-carbamoyl-2-chloro-3-propan-2-yloxyphenyl)-4-hydroxybutyl]phenyl]-1-methylimidazol-2-yl]ethyl]carbamate;methyl N-[1-[4-[4-[2-[6-carbamoyl-2-chloro-3-(1,1,1-trifluoropropan-2-yloxy)phenyl]-4-hydroxybutyl]phenyl]-1-ethylimidazol-2-yl]ethyl]carbamate
CID 173059561

Frequently Asked Questions

What is the IUPAC name of 2-[1-[4-(8-bromoimidazo[1,2-a]pyridin-2-yl)phenyl]-3-(3-hydroxypropanoylamino)propan-2-yl]-3-chloro-4-propan-2-yloxybenzamide?
The IUPAC name of 2-[1-[4-(8-bromoimidazo[1,2-a]pyridin-2-yl)phenyl]-3-(3-hydroxypropanoylamino)propan-2-yl]-3-chloro-4-propan-2-yloxybenzamide (CID 173059707) is 2-[1-[4-(8-bromoimidazo[1,2-a]pyridin-2-yl)phenyl]-3-(3-hydroxypropanoylamino)propan-2-yl]-3-chloro-4-propan-2-yloxybenzamide.
What is the SMILES notation for 2-[1-[4-(8-bromoimidazo[1,2-a]pyridin-2-yl)phenyl]-3-(3-hydroxypropanoylamino)propan-2-yl]-3-chloro-4-propan-2-yloxybenzamide?
The canonical SMILES for 2-[1-[4-(8-bromoimidazo[1,2-a]pyridin-2-yl)phenyl]-3-(3-hydroxypropanoylamino)propan-2-yl]-3-chloro-4-propan-2-yloxybenzamide is CC(C)Oc1ccc(C(N)=O)c(C(CNC(=O)CCO)Cc2ccc(-c3cn4cccc(Br)c4n3)cc2)c1Cl.
What is the InChIKey of 2-[1-[4-(8-bromoimidazo[1,2-a]pyridin-2-yl)phenyl]-3-(3-hydroxypropanoylamino)propan-2-yl]-3-chloro-4-propan-2-yloxybenzamide?
The InChIKey is HJIYATJIFWRQMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H30BrClN4O4/c1-17(2)39-24-10-9-21(28(32)38)26(27(24)31)20(15-33-25(37)11-13-36)14-18-5-7-19(8-6-18)23-16-35-12-3-4-22(30)29(35)34-23/h3-10,12,16-17,20,36H,11,13-15H2,1-2H3,(H2,32,38)(H,33,37).
What are the key properties of 2-[1-[4-(8-bromoimidazo[1,2-a]pyridin-2-yl)phenyl]-3-(3-hydroxypropanoylamino)propan-2-yl]-3-chloro-4-propan-2-yloxybenzamide?
2-[1-[4-(8-bromoimidazo[1,2-a]pyridin-2-yl)phenyl]-3-(3-hydroxypropanoylamino)propan-2-yl]-3-chloro-4-propan-2-yloxybenzamide has a molecular weight of 613.94 g/mol, XLogP of 5.13, 11 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[4-(8-bromoimidazo[1,2-a]pyridin-2-yl)phenyl]-3-(3-hydroxypropanoylamino)propan-2-yl]-3-chloro-4-propan-2-yloxybenzamide is sourced from PubChem (CID 173059707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).