ethyl 4-(6-chloroimidazo[1,2-a]pyridine-2-carbonyl)piperazine-1-carboxylate

C15H17ClN4O3 — CID 42536529

IUPACethyl 4-(6-chloroimidazo[1,2-a]pyridine-2-carbonyl)piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(C(=O)c2cn3cc(Cl)ccc3n2)CC1
InChIInChI=1S/C15H17ClN4O3/c1-2-23-15(22)19-7-5-18(6-8-19)14(21)12-10-20-9-11(16)3-4-13(20)17-12/h3-4,9-10H,2,5-8H2,1H3
InChIKeyTXLOTCWVJBSOHR-UHFFFAOYSA-N
MW336.78 g/mol
LogP1.90
Rot. Bonds2

About ethyl 4-(6-chloroimidazo[1,2-a]pyridine-2-carbonyl)piperazine-1-carboxylate

ethyl 4-(6-chloroimidazo[1,2-a]pyridine-2-carbonyl)piperazine-1-carboxylate (PubChem CID 42536529) has the molecular formula C15H17ClN4O3 and a molecular weight of 336.78 g/mol. Its IUPAC name is ethyl 4-(6-chloroimidazo[1,2-a]pyridine-2-carbonyl)piperazine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-(6-chloroimidazo[1,2-a]pyridine-2-carbonyl)piperazine-1-carboxylate
PubChem CID42536529
Molecular FormulaC15H17ClN4O3
Molecular Weight336.78 g/mol
Exact Mass336.10
IUPAC Nameethyl 4-(6-chloroimidazo[1,2-a]pyridine-2-carbonyl)piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(C(=O)c2cn3cc(Cl)ccc3n2)CC1
InChIInChI=1S/C15H17ClN4O3/c1-2-23-15(22)19-7-5-18(6-8-19)14(21)12-10-20-9-11(16)3-4-13(20)17-12/h3-4,9-10H,2,5-8H2,1H3
InChIKeyTXLOTCWVJBSOHR-UHFFFAOYSA-N
XLogP1.90
TPSA67.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.78
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(6-chloroimidazo[1,2-a]pyridin-2-yl)-[3-hydroxy-3-(hydroxymethyl)piperidin-1-yl]methanone
CID 56900534
ethyl 4-[6-(azepane-1-carbonyl)pyridine-2-carbonyl]piperazine-1-carboxylate
CID 109098906
ethyl 2-(6-chloroimidazo[1,2-a]pyridin-2-yl)butanoate
CID 169245308
[4-(6-chloroimidazo[1,2-a]pyridine-2-carbonyl)piperazin-1-yl]-(2,3-dihydro-1,4-benzodioxin-3-yl)methanone
CID 42650128
(6-chloroimidazo[1,2-a]pyridin-2-yl)-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone
CID 131893064
ethyl 4-(6-methylpyridazine-3-carbonyl)piperazine-1-carboxylate
CID 110705248
1'-(6-chloroimidazo[1,2-a]pyridine-2-carbonyl)-2-methylspiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,4'-piperidine]-4-one
CID 155497083
ethyl 4-(6-bromopyridine-2-carbonyl)piperazine-1-carboxylate
CID 103874999
ethyl 1-(imidazo[1,2-a]pyridine-2-carbonyl)piperidine-4-carboxylate
CID 87051265
ethyl 4-[6-(phenylcarbamoyl)pyridine-2-carbonyl]piperazine-1-carboxylate
CID 109098907
[(2R,3aR,7aR)-2-methyl-3,3a,4,6,7,7a-hexahydro-2H-furo[3,2-c]pyridin-5-yl]-(6-chloroimidazo[1,2-a]pyridin-2-yl)methanone
CID 124831617
ethyl 4-(4-methylbenzoyl)piperazine-1-carboxylate
CID 3146125

Frequently Asked Questions

What is the IUPAC name of ethyl 4-(6-chloroimidazo[1,2-a]pyridine-2-carbonyl)piperazine-1-carboxylate?
The IUPAC name of ethyl 4-(6-chloroimidazo[1,2-a]pyridine-2-carbonyl)piperazine-1-carboxylate (CID 42536529) is ethyl 4-(6-chloroimidazo[1,2-a]pyridine-2-carbonyl)piperazine-1-carboxylate.
What is the SMILES notation for ethyl 4-(6-chloroimidazo[1,2-a]pyridine-2-carbonyl)piperazine-1-carboxylate?
The canonical SMILES for ethyl 4-(6-chloroimidazo[1,2-a]pyridine-2-carbonyl)piperazine-1-carboxylate is CCOC(=O)N1CCN(C(=O)c2cn3cc(Cl)ccc3n2)CC1.
What is the InChIKey of ethyl 4-(6-chloroimidazo[1,2-a]pyridine-2-carbonyl)piperazine-1-carboxylate?
The InChIKey is TXLOTCWVJBSOHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN4O3/c1-2-23-15(22)19-7-5-18(6-8-19)14(21)12-10-20-9-11(16)3-4-13(20)17-12/h3-4,9-10H,2,5-8H2,1H3.
What are the key properties of ethyl 4-(6-chloroimidazo[1,2-a]pyridine-2-carbonyl)piperazine-1-carboxylate?
ethyl 4-(6-chloroimidazo[1,2-a]pyridine-2-carbonyl)piperazine-1-carboxylate has a molecular weight of 336.78 g/mol, XLogP of 1.90, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(6-chloroimidazo[1,2-a]pyridine-2-carbonyl)piperazine-1-carboxylate is sourced from PubChem (CID 42536529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).