2-[4-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]piperazin-1-yl]acetic acid

C14H17ClN4O2 — CID 43521849

IUPAC2-[4-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]piperazin-1-yl]acetic acid
SMILESO=C(O)CN1CCN(Cc2cn3cc(Cl)ccc3n2)CC1
InChIInChI=1S/C14H17ClN4O2/c15-11-1-2-13-16-12(9-19(13)7-11)8-17-3-5-18(6-4-17)10-14(20)21/h1-2,7,9H,3-6,8,10H2,(H,20,21)
InChIKeyOKXTXXNSRYXGAC-UHFFFAOYSA-N
MW308.77 g/mol
LogP1.19
Rot. Bonds4

About 2-[4-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]piperazin-1-yl]acetic acid

2-[4-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]piperazin-1-yl]acetic acid (PubChem CID 43521849) has the molecular formula C14H17ClN4O2 and a molecular weight of 308.77 g/mol. Its IUPAC name is 2-[4-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]piperazin-1-yl]acetic acid.

Molecular Properties

Compound Name2-[4-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]piperazin-1-yl]acetic acid
PubChem CID43521849
Molecular FormulaC14H17ClN4O2
Molecular Weight308.77 g/mol
Exact Mass308.10
IUPAC Name2-[4-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]piperazin-1-yl]acetic acid
SMILESO=C(O)CN1CCN(Cc2cn3cc(Cl)ccc3n2)CC1
InChIInChI=1S/C14H17ClN4O2/c15-11-1-2-13-16-12(9-19(13)7-11)8-17-3-5-18(6-4-17)10-14(20)21/h1-2,7,9H,3-6,8,10H2,(H,20,21)
InChIKeyOKXTXXNSRYXGAC-UHFFFAOYSA-N
XLogP1.19
TPSA61.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.77
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-[(6-methylimidazo[1,2-a]pyridin-2-yl)methyl]piperazin-1-yl]acetic acid
CID 43521725
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]-1,4-diazepan-1-yl]ethanol
CID 63310199
[4-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]piperazin-1-yl]-(4-ethylphenyl)methanone
CID 134043496
[4-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-1,4-diazepan-1-yl]-[(1R,2R)-2-methylcyclopropyl]methanone
CID 95774661
1-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]pyrrolidin-3-ol
CID 62917347
2-[1-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]pyrrolidin-2-yl]acetic acid
CID 61371922
2-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]acetic acid
CID 4262836
4-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]piperazin-2-one
CID 22107793
6-chloro-2-[[4-(3,6-dimethylpyrazin-2-yl)piperazin-1-yl]methyl]imidazo[1,2-a]pyridine
CID 133468945
6-chloro-2-[[4-(4-fluorophenyl)-1,4-diazepan-1-yl]methyl]imidazo[1,2-a]pyridine
CID 87015597
2-[[4-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]morpholin-2-yl]methyl-methylamino]acetic acid
CID 120606681

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]piperazin-1-yl]acetic acid?
The IUPAC name of 2-[4-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]piperazin-1-yl]acetic acid (CID 43521849) is 2-[4-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]piperazin-1-yl]acetic acid.
What is the SMILES notation for 2-[4-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]piperazin-1-yl]acetic acid?
The canonical SMILES for 2-[4-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]piperazin-1-yl]acetic acid is O=C(O)CN1CCN(Cc2cn3cc(Cl)ccc3n2)CC1.
What is the InChIKey of 2-[4-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]piperazin-1-yl]acetic acid?
The InChIKey is OKXTXXNSRYXGAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN4O2/c15-11-1-2-13-16-12(9-19(13)7-11)8-17-3-5-18(6-4-17)10-14(20)21/h1-2,7,9H,3-6,8,10H2,(H,20,21).
What are the key properties of 2-[4-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]piperazin-1-yl]acetic acid?
2-[4-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]piperazin-1-yl]acetic acid has a molecular weight of 308.77 g/mol, XLogP of 1.19, 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]piperazin-1-yl]acetic acid is sourced from PubChem (CID 43521849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).