2-chloro-1-[4-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-1,4-diazepan-1-yl]ethanone

C15H18Cl2N4O — CID 166403975

IUPAC2-chloro-1-[4-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-1,4-diazepan-1-yl]ethanone
SMILESO=C(CCl)N1CCCN(Cc2cn3cc(Cl)ccc3n2)CC1
InChIInChI=1S/C15H18Cl2N4O/c16-8-15(22)20-5-1-4-19(6-7-20)10-13-11-21-9-12(17)2-3-14(21)18-13/h2-3,9,11H,1,4-8,10H2
InChIKeyBLCFDAMKMYXSMN-UHFFFAOYSA-N
MW341.24 g/mol
LogP2.26
Rot. Bonds3

About 2-chloro-1-[4-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-1,4-diazepan-1-yl]ethanone

2-chloro-1-[4-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-1,4-diazepan-1-yl]ethanone (PubChem CID 166403975) has the molecular formula C15H18Cl2N4O and a molecular weight of 341.24 g/mol. Its IUPAC name is 2-chloro-1-[4-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-1,4-diazepan-1-yl]ethanone.

Molecular Properties

Compound Name2-chloro-1-[4-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-1,4-diazepan-1-yl]ethanone
PubChem CID166403975
Molecular FormulaC15H18Cl2N4O
Molecular Weight341.24 g/mol
Exact Mass340.09
IUPAC Name2-chloro-1-[4-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-1,4-diazepan-1-yl]ethanone
SMILESO=C(CCl)N1CCCN(Cc2cn3cc(Cl)ccc3n2)CC1
InChIInChI=1S/C15H18Cl2N4O/c16-8-15(22)20-5-1-4-19(6-7-20)10-13-11-21-9-12(17)2-3-14(21)18-13/h2-3,9,11H,1,4-8,10H2
InChIKeyBLCFDAMKMYXSMN-UHFFFAOYSA-N
XLogP2.26
TPSA40.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.24
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[4-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-1,4-diazepan-1-yl]-[(1R,2R)-2-methylcyclopropyl]methanone
CID 95774661
2-[4-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-1,4-diazepan-1-yl]ethanol
CID 63310199
2-[4-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]piperazin-1-yl]acetic acid
CID 43521849
[4-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-1,4-diazepan-1-yl]-[(2S,4S)-2-methylpiperidin-4-yl]methanone
CID 120634963
[4-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]piperazin-1-yl]-(4-ethylphenyl)methanone
CID 134043496
6-chloro-2-[[4-(4-fluorophenyl)-1,4-diazepan-1-yl]methyl]imidazo[1,2-a]pyridine
CID 87015597
(3R,7aR)-3-[4-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-1,4-diazepane-1-carbonyl]-7a-methyl-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazol-5-one
CID 95774663
1-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]pyrrolidin-3-ol
CID 62917347
4-[4-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-1,4-diazepan-1-yl]-N-methyl-3-nitrobenzamide
CID 133344893
6-chloro-2-[[4-[4-(trifluoromethyl)pyrimidin-2-yl]-1,4-diazepan-1-yl]methyl]imidazo[1,2-a]pyridine
CID 133344890
6-chloro-2-[[4-(6-ethoxypyrimidin-4-yl)-1,4-diazepan-1-yl]methyl]imidazo[1,2-a]pyridine
CID 133485271
N-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-3-pyrrolidin-1-ylpropan-1-amine
CID 78913138

Frequently Asked Questions

What is the IUPAC name of 2-chloro-1-[4-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-1,4-diazepan-1-yl]ethanone?
The IUPAC name of 2-chloro-1-[4-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-1,4-diazepan-1-yl]ethanone (CID 166403975) is 2-chloro-1-[4-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-1,4-diazepan-1-yl]ethanone.
What is the SMILES notation for 2-chloro-1-[4-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-1,4-diazepan-1-yl]ethanone?
The canonical SMILES for 2-chloro-1-[4-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-1,4-diazepan-1-yl]ethanone is O=C(CCl)N1CCCN(Cc2cn3cc(Cl)ccc3n2)CC1.
What is the InChIKey of 2-chloro-1-[4-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-1,4-diazepan-1-yl]ethanone?
The InChIKey is BLCFDAMKMYXSMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18Cl2N4O/c16-8-15(22)20-5-1-4-19(6-7-20)10-13-11-21-9-12(17)2-3-14(21)18-13/h2-3,9,11H,1,4-8,10H2.
What are the key properties of 2-chloro-1-[4-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-1,4-diazepan-1-yl]ethanone?
2-chloro-1-[4-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-1,4-diazepan-1-yl]ethanone has a molecular weight of 341.24 g/mol, XLogP of 2.26, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-1-[4-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-1,4-diazepan-1-yl]ethanone is sourced from PubChem (CID 166403975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).