4-(6-chloroimidazo[1,2-a]pyridine-2-carbonyl)-1,4-oxazepane-6-carboxylic acid

C14H14ClN3O4 — CID 138379369

IUPAC4-(6-chloroimidazo[1,2-a]pyridine-2-carbonyl)-1,4-oxazepane-6-carboxylic acid
SMILESO=C(O)C1COCCN(C(=O)c2cn3cc(Cl)ccc3n2)C1
InChIInChI=1S/C14H14ClN3O4/c15-10-1-2-12-16-11(7-18(12)6-10)13(19)17-3-4-22-8-9(5-17)14(20)21/h1-2,6-7,9H,3-5,8H2,(H,20,21)
InChIKeyNNAJPWXLKQDQNT-UHFFFAOYSA-N
MW323.74 g/mol
LogP1.16
Rot. Bonds2

About 4-(6-chloroimidazo[1,2-a]pyridine-2-carbonyl)-1,4-oxazepane-6-carboxylic acid

4-(6-chloroimidazo[1,2-a]pyridine-2-carbonyl)-1,4-oxazepane-6-carboxylic acid (PubChem CID 138379369) has the molecular formula C14H14ClN3O4 and a molecular weight of 323.74 g/mol. Its IUPAC name is 4-(6-chloroimidazo[1,2-a]pyridine-2-carbonyl)-1,4-oxazepane-6-carboxylic acid.

Molecular Properties

Compound Name4-(6-chloroimidazo[1,2-a]pyridine-2-carbonyl)-1,4-oxazepane-6-carboxylic acid
PubChem CID138379369
Molecular FormulaC14H14ClN3O4
Molecular Weight323.74 g/mol
Exact Mass323.07
IUPAC Name4-(6-chloroimidazo[1,2-a]pyridine-2-carbonyl)-1,4-oxazepane-6-carboxylic acid
SMILESO=C(O)C1COCCN(C(=O)c2cn3cc(Cl)ccc3n2)C1
InChIInChI=1S/C14H14ClN3O4/c15-10-1-2-12-16-11(7-18(12)6-10)13(19)17-3-4-22-8-9(5-17)14(20)21/h1-2,6-7,9H,3-5,8H2,(H,20,21)
InChIKeyNNAJPWXLKQDQNT-UHFFFAOYSA-N
XLogP1.16
TPSA84.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.74
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(6-chloroimidazo[1,2-a]pyridin-2-yl)-(2-phenylmorpholin-4-yl)methanone
CID 42649604
[(5aS,8aS)-4-methyl-3,5,5a,6,8,8a-hexahydro-2H-pyrrolo[3,4-f][1,4]oxazepin-7-yl]-(6-chloroimidazo[1,2-a]pyridin-2-yl)methanone
CID 97420184
[(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
4-(2-amino-6-propan-2-ylpyrimidine-4-carbonyl)-1,4-oxazepane-6-carboxylic acid
CID 138383212
ethyl 4-(6-chloroimidazo[1,2-a]pyridine-2-carbonyl)piperazine-1-carboxylate
CID 42536529
[4-(6-chloroimidazo[1,2-a]pyridine-2-carbonyl)piperazin-1-yl]-(2,3-dihydro-1,4-benzodioxin-3-yl)methanone
CID 42650128
1-(imidazo[1,2-a]pyridine-2-carbonyl)piperidine-3-carboxylic acid
CID 43355877
(6-chloroimidazo[1,2-a]pyridin-2-yl)-[3-hydroxy-3-(hydroxymethyl)piperidin-1-yl]methanone
CID 56900534
(6-chloroimidazo[1,2-a]pyridin-2-yl)-[(3R)-3-hydroxy-3-(hydroxymethyl)piperidin-1-yl]methanone
CID 95713723
(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
6-chloro-N-(3-methyl-2-morpholin-4-ylbutyl)imidazo[1,2-a]pyridine-2-carboxamide
CID 46974526
6-chloro-N-[(2S)-3-methyl-2-morpholin-4-ylbutyl]imidazo[1,2-a]pyridine-2-carboxamide
CID 92627195

Frequently Asked Questions

What is the IUPAC name of 4-(6-chloroimidazo[1,2-a]pyridine-2-carbonyl)-1,4-oxazepane-6-carboxylic acid?
The IUPAC name of 4-(6-chloroimidazo[1,2-a]pyridine-2-carbonyl)-1,4-oxazepane-6-carboxylic acid (CID 138379369) is 4-(6-chloroimidazo[1,2-a]pyridine-2-carbonyl)-1,4-oxazepane-6-carboxylic acid.
What is the SMILES notation for 4-(6-chloroimidazo[1,2-a]pyridine-2-carbonyl)-1,4-oxazepane-6-carboxylic acid?
The canonical SMILES for 4-(6-chloroimidazo[1,2-a]pyridine-2-carbonyl)-1,4-oxazepane-6-carboxylic acid is O=C(O)C1COCCN(C(=O)c2cn3cc(Cl)ccc3n2)C1.
What is the InChIKey of 4-(6-chloroimidazo[1,2-a]pyridine-2-carbonyl)-1,4-oxazepane-6-carboxylic acid?
The InChIKey is NNAJPWXLKQDQNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClN3O4/c15-10-1-2-12-16-11(7-18(12)6-10)13(19)17-3-4-22-8-9(5-17)14(20)21/h1-2,6-7,9H,3-5,8H2,(H,20,21).
What are the key properties of 4-(6-chloroimidazo[1,2-a]pyridine-2-carbonyl)-1,4-oxazepane-6-carboxylic acid?
4-(6-chloroimidazo[1,2-a]pyridine-2-carbonyl)-1,4-oxazepane-6-carboxylic acid has a molecular weight of 323.74 g/mol, XLogP of 1.16, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-chloroimidazo[1,2-a]pyridine-2-carbonyl)-1,4-oxazepane-6-carboxylic acid is sourced from PubChem (CID 138379369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).