acetyl chloride;1-benzyl-6-bromo-2-methylimidazo[4,5-b]pyridine;N-(1-benzyl-2-methylimidazo[4,5-b]pyridin-6-yl)-N-ethylacetamide;1-benzyl-2-methyl-6-propylimidazo[4,5-b]pyridine;ethanamine

C53H61BrClN11O2 — CID 158700126

IUPACacetyl chloride;1-benzyl-6-bromo-2-methylimidazo[4,5-b]pyridine;N-(1-benzyl-2-methylimidazo[4,5-b]pyridin-6-yl)-N-ethylacetamide;1-benzyl-2-methyl-6-propylimidazo[4,5-b]pyridine;ethanamine
SMILESCC(=O)Cl.CCCc1cnc2nc(C)n(Cc3ccccc3)c2c1.CCN.CCN(C(C)=O)c1cnc2nc(C)n(Cc3ccccc3)c2c1.Cc1nc2ncc(Br)cc2n1Cc1ccccc1
InChIInChI=1S/C18H20N4O.C17H19N3.C14H12BrN3.C2H3ClO.C2H7N/c1-4-21(14(3)23)16-10-17-18(19-11-16)20-13(2)22(17)12-15-8-6-5-7-9-15;1-3-7-15-10-16-17(18-11-15)19-13(2)20(16)12-14-8-5-4-6-9-14;1-10-17-14-13(7-12(15)8-16-14)18(10)9-11-5-3-2-4-6-11;1-2(3)4;1-2-3/h5-11H,4,12H2,1-3H3;4-6,8-11H,3,7,12H2,1-2H3;2-8H,9H2,1H3;1H3;2-3H2,1H3
InChIKeyIHLAMFAPKCZVEH-UHFFFAOYSA-N
MW999.50 g/mol
LogP11.19
Rot. Bonds10

About acetyl chloride;1-benzyl-6-bromo-2-methylimidazo[4,5-b]pyridine;N-(1-benzyl-2-methylimidazo[4,5-b]pyridin-6-yl)-N-ethylacetamide;1-benzyl-2-methyl-6-propylimidazo[4,5-b]pyridine;ethanamine

acetyl chloride;1-benzyl-6-bromo-2-methylimidazo[4,5-b]pyridine;N-(1-benzyl-2-methylimidazo[4,5-b]pyridin-6-yl)-N-ethylacetamide;1-benzyl-2-methyl-6-propylimidazo[4,5-b]pyridine;ethanamine (PubChem CID 158700126) has the molecular formula C53H61BrClN11O2 and a molecular weight of 999.50 g/mol. Its IUPAC name is acetyl chloride;1-benzyl-6-bromo-2-methylimidazo[4,5-b]pyridine;N-(1-benzyl-2-methylimidazo[4,5-b]pyridin-6-yl)-N-ethylacetamide;1-benzyl-2-methyl-6-propylimidazo[4,5-b]pyridine;ethanamine.

Molecular Properties

Compound Nameacetyl chloride;1-benzyl-6-bromo-2-methylimidazo[4,5-b]pyridine;N-(1-benzyl-2-methylimidazo[4,5-b]pyridin-6-yl)-N-ethylacetamide;1-benzyl-2-methyl-6-propylimidazo[4,5-b]pyridine;ethanamine
PubChem CID158700126
Molecular FormulaC53H61BrClN11O2
Molecular Weight999.50 g/mol
Exact Mass997.39
IUPAC Nameacetyl chloride;1-benzyl-6-bromo-2-methylimidazo[4,5-b]pyridine;N-(1-benzyl-2-methylimidazo[4,5-b]pyridin-6-yl)-N-ethylacetamide;1-benzyl-2-methyl-6-propylimidazo[4,5-b]pyridine;ethanamine
SMILESCC(=O)Cl.CCCc1cnc2nc(C)n(Cc3ccccc3)c2c1.CCN.CCN(C(C)=O)c1cnc2nc(C)n(Cc3ccccc3)c2c1.Cc1nc2ncc(Br)cc2n1Cc1ccccc1
InChIInChI=1S/C18H20N4O.C17H19N3.C14H12BrN3.C2H3ClO.C2H7N/c1-4-21(14(3)23)16-10-17-18(19-11-16)20-13(2)22(17)12-15-8-6-5-7-9-15;1-3-7-15-10-16-17(18-11-15)19-13(2)20(16)12-14-8-5-4-6-9-14;1-10-17-14-13(7-12(15)8-16-14)18(10)9-11-5-3-2-4-6-11;1-2(3)4;1-2-3/h5-11H,4,12H2,1-3H3;4-6,8-11H,3,7,12H2,1-2H3;2-8H,9H2,1H3;1H3;2-3H2,1H3
InChIKeyIHLAMFAPKCZVEH-UHFFFAOYSA-N
XLogP11.19
TPSA155.53 Ų
H-Bond Donors1
H-Bond Acceptors12
Rotatable Bonds10
Heavy Atoms68
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500999.50
LogP ≤ 511.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

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

Analyze acetyl chloride;1-benzyl-6-bromo-2-methylimidazo[4,5-b]pyridine;N-(1-benzyl-2-methylimidazo[4,5-b]pyridin-6-yl)-N-ethylacetamide;1-benzyl-2-methyl-6-propylimidazo[4,5-b]pyridine;ethanamine 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-(4-(6-Bromo-2-(4-(dimethylamino)phenyl)-3H-imidazo[4,5-b]pyridin-7-yl)piperazin-1-yl)-N-(pyridin-3-yl)acetamide
CID 46868503
N-(4-bromophenyl)-4-(2-phenylimidazo[4,5-b]pyridin-3-yl)piperidine-1-carboxamide
CID 44522159
1-[(1S,4S)-5-[[4-[[6-amino-8-(5-fluoro-3-pyridinyl)-2-methylpurin-9-yl]methyl]phenyl]methyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]ethanone
CID 159920579
1-[2-[6-[(1-Benzylpiperidin-4-yl)amino]-2-[(1-methylbenzimidazol-2-yl)amino]purin-9-yl]ethyl]pyrrolidin-2-one
CID 117079027
1-[2-[6-[(1-Benzylpiperidin-4-yl)amino]-2-(4-imidazol-1-ylanilino)purin-9-yl]ethyl]pyrrolidin-2-one
CID 117079938
1-[2-[6-[(1-Benzylpiperidin-4-yl)amino]-2-(pyridin-3-ylmethylamino)purin-9-yl]ethyl]pyrrolidin-2-one
CID 117080161
1-[2-[6-(Benzylamino)-2-(4-pyridin-2-ylpiperazin-1-yl)purin-9-yl]ethyl]pyrrolidin-2-one
CID 117080720
1-[2-[6-[(1-Benzylpiperidin-4-yl)amino]-2-(pyridin-2-ylamino)purin-9-yl]ethyl]pyrrolidin-2-one
CID 117081118
1-[2-[6-[(1-Benzylpiperidin-4-yl)amino]-2-(4-pyridin-2-ylpiperazin-1-yl)purin-9-yl]ethyl]pyrrolidin-2-one
CID 117082371
1-[2-[6-[(1-Benzylpiperidin-4-yl)amino]-2-(pyrazin-2-ylamino)purin-9-yl]ethyl]pyrrolidin-2-one
CID 117085438
1-[2-[6-[(1-Benzylpiperidin-4-yl)amino]-2-(pyridin-4-ylamino)purin-9-yl]ethyl]pyrrolidin-2-one
CID 117090240
1-[2-[6-[(1-Benzylpiperidin-4-yl)amino]-2-(pyrimidin-2-ylamino)purin-9-yl]ethyl]pyrrolidin-2-one
CID 117090426

Frequently Asked Questions

What is the IUPAC name of acetyl chloride;1-benzyl-6-bromo-2-methylimidazo[4,5-b]pyridine;N-(1-benzyl-2-methylimidazo[4,5-b]pyridin-6-yl)-N-ethylacetamide;1-benzyl-2-methyl-6-propylimidazo[4,5-b]pyridine;ethanamine?
The IUPAC name of acetyl chloride;1-benzyl-6-bromo-2-methylimidazo[4,5-b]pyridine;N-(1-benzyl-2-methylimidazo[4,5-b]pyridin-6-yl)-N-ethylacetamide;1-benzyl-2-methyl-6-propylimidazo[4,5-b]pyridine;ethanamine (CID 158700126) is acetyl chloride;1-benzyl-6-bromo-2-methylimidazo[4,5-b]pyridine;N-(1-benzyl-2-methylimidazo[4,5-b]pyridin-6-yl)-N-ethylacetamide;1-benzyl-2-methyl-6-propylimidazo[4,5-b]pyridine;ethanamine.
What is the SMILES notation for acetyl chloride;1-benzyl-6-bromo-2-methylimidazo[4,5-b]pyridine;N-(1-benzyl-2-methylimidazo[4,5-b]pyridin-6-yl)-N-ethylacetamide;1-benzyl-2-methyl-6-propylimidazo[4,5-b]pyridine;ethanamine?
The canonical SMILES for acetyl chloride;1-benzyl-6-bromo-2-methylimidazo[4,5-b]pyridine;N-(1-benzyl-2-methylimidazo[4,5-b]pyridin-6-yl)-N-ethylacetamide;1-benzyl-2-methyl-6-propylimidazo[4,5-b]pyridine;ethanamine is CC(=O)Cl.CCCc1cnc2nc(C)n(Cc3ccccc3)c2c1.CCN.CCN(C(C)=O)c1cnc2nc(C)n(Cc3ccccc3)c2c1.Cc1nc2ncc(Br)cc2n1Cc1ccccc1.
What is the InChIKey of acetyl chloride;1-benzyl-6-bromo-2-methylimidazo[4,5-b]pyridine;N-(1-benzyl-2-methylimidazo[4,5-b]pyridin-6-yl)-N-ethylacetamide;1-benzyl-2-methyl-6-propylimidazo[4,5-b]pyridine;ethanamine?
The InChIKey is IHLAMFAPKCZVEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O.C17H19N3.C14H12BrN3.C2H3ClO.C2H7N/c1-4-21(14(3)23)16-10-17-18(19-11-16)20-13(2)22(17)12-15-8-6-5-7-9-15;1-3-7-15-10-16-17(18-11-15)19-13(2)20(16)12-14-8-5-4-6-9-14;1-10-17-14-13(7-12(15)8-16-14)18(10)9-11-5-3-2-4-6-11;1-2(3)4;1-2-3/h5-11H,4,12H2,1-3H3;4-6,8-11H,3,7,12H2,1-2H3;2-8H,9H2,1H3;1H3;2-3H2,1H3.
What are the key properties of acetyl chloride;1-benzyl-6-bromo-2-methylimidazo[4,5-b]pyridine;N-(1-benzyl-2-methylimidazo[4,5-b]pyridin-6-yl)-N-ethylacetamide;1-benzyl-2-methyl-6-propylimidazo[4,5-b]pyridine;ethanamine?
acetyl chloride;1-benzyl-6-bromo-2-methylimidazo[4,5-b]pyridine;N-(1-benzyl-2-methylimidazo[4,5-b]pyridin-6-yl)-N-ethylacetamide;1-benzyl-2-methyl-6-propylimidazo[4,5-b]pyridine;ethanamine has a molecular weight of 999.50 g/mol, XLogP of 11.19, 10 rotatable bonds, 1 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for acetyl chloride;1-benzyl-6-bromo-2-methylimidazo[4,5-b]pyridine;N-(1-benzyl-2-methylimidazo[4,5-b]pyridin-6-yl)-N-ethylacetamide;1-benzyl-2-methyl-6-propylimidazo[4,5-b]pyridine;ethanamine is sourced from PubChem (CID 158700126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).