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

C15H21ClN4O — CID 63310199

IUPAC2-[4-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-1,4-diazepan-1-yl]ethanol
SMILESOCCN1CCCN(Cc2cn3cc(Cl)ccc3n2)CC1
InChIInChI=1S/C15H21ClN4O/c16-13-2-3-15-17-14(12-20(15)10-13)11-19-5-1-4-18(6-7-19)8-9-21/h2-3,10,12,21H,1,4-9,11H2
InChIKeyASWDCNZHWXIOHP-UHFFFAOYSA-N
MW308.81 g/mol
LogP1.49
Rot. Bonds4

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

2-[4-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-1,4-diazepan-1-yl]ethanol (PubChem CID 63310199) has the molecular formula C15H21ClN4O and a molecular weight of 308.81 g/mol. Its IUPAC name is 2-[4-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-1,4-diazepan-1-yl]ethanol.

Molecular Properties

Compound Name2-[4-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-1,4-diazepan-1-yl]ethanol
PubChem CID63310199
Molecular FormulaC15H21ClN4O
Molecular Weight308.81 g/mol
Exact Mass308.14
IUPAC Name2-[4-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-1,4-diazepan-1-yl]ethanol
SMILESOCCN1CCCN(Cc2cn3cc(Cl)ccc3n2)CC1
InChIInChI=1S/C15H21ClN4O/c16-13-2-3-15-17-14(12-20(15)10-13)11-19-5-1-4-18(6-7-19)8-9-21/h2-3,10,12,21H,1,4-9,11H2
InChIKeyASWDCNZHWXIOHP-UHFFFAOYSA-N
XLogP1.49
TPSA44.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.81
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-chloro-1-[4-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-1,4-diazepan-1-yl]ethanone
CID 166403975
2-[4-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]piperazin-1-yl]acetic acid
CID 43521849
6-chloro-2-[[4-(4-fluorophenyl)-1,4-diazepan-1-yl]methyl]imidazo[1,2-a]pyridine
CID 87015597
[4-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-1,4-diazepan-1-yl]-[(1R,2R)-2-methylcyclopropyl]methanone
CID 95774661
6-chloro-2-[[4-[4-(trifluoromethyl)pyrimidin-2-yl]-1,4-diazepan-1-yl]methyl]imidazo[1,2-a]pyridine
CID 133344890
1-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]pyrrolidin-3-ol
CID 62917347
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
2-[2-[4-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]piperazin-1-yl]ethyl]morpholine
CID 167771266
[4-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-1,4-diazepan-1-yl]-[(2S,4S)-2-methylpiperidin-4-yl]methanone
CID 120634963
2-[4-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-1,4-diazepan-1-yl]ethanol
CID 115334182
[4-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]piperazin-1-yl]-(4-ethylphenyl)methanone
CID 134043496

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-1,4-diazepan-1-yl]ethanol?
The IUPAC name of 2-[4-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-1,4-diazepan-1-yl]ethanol (CID 63310199) is 2-[4-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-1,4-diazepan-1-yl]ethanol.
What is the SMILES notation for 2-[4-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-1,4-diazepan-1-yl]ethanol?
The canonical SMILES for 2-[4-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-1,4-diazepan-1-yl]ethanol is OCCN1CCCN(Cc2cn3cc(Cl)ccc3n2)CC1.
What is the InChIKey of 2-[4-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-1,4-diazepan-1-yl]ethanol?
The InChIKey is ASWDCNZHWXIOHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN4O/c16-13-2-3-15-17-14(12-20(15)10-13)11-19-5-1-4-18(6-7-19)8-9-21/h2-3,10,12,21H,1,4-9,11H2.
What are the key properties of 2-[4-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-1,4-diazepan-1-yl]ethanol?
2-[4-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-1,4-diazepan-1-yl]ethanol has a molecular weight of 308.81 g/mol, XLogP of 1.49, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-1,4-diazepan-1-yl]ethanol is sourced from PubChem (CID 63310199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).