[4-(7-bromo-1-ethylimidazo[4,5-c]pyridin-2-yl)-1,2,5-oxadiazol-3-yl]carbamic acid

C11H9BrN6O3 — CID 91264873

IUPAC[4-(7-bromo-1-ethylimidazo[4,5-c]pyridin-2-yl)-1,2,5-oxadiazol-3-yl]carbamic acid
SMILESCCn1c(-c2nonc2NC(=O)O)nc2cncc(Br)c21
InChIInChI=1S/C11H9BrN6O3/c1-2-18-8-5(12)3-13-4-6(8)14-10(18)7-9(15-11(19)20)17-21-16-7/h3-4H,2H2,1H3,(H,15,17)(H,19,20)
InChIKeyGRCUPCNIEVFNNB-UHFFFAOYSA-N
MW353.14 g/mol
LogP2.35
Rot. Bonds3

About [4-(7-bromo-1-ethylimidazo[4,5-c]pyridin-2-yl)-1,2,5-oxadiazol-3-yl]carbamic acid

[4-(7-bromo-1-ethylimidazo[4,5-c]pyridin-2-yl)-1,2,5-oxadiazol-3-yl]carbamic acid (PubChem CID 91264873) has the molecular formula C11H9BrN6O3 and a molecular weight of 353.14 g/mol. Its IUPAC name is [4-(7-bromo-1-ethylimidazo[4,5-c]pyridin-2-yl)-1,2,5-oxadiazol-3-yl]carbamic acid.

Molecular Properties

Compound Name[4-(7-bromo-1-ethylimidazo[4,5-c]pyridin-2-yl)-1,2,5-oxadiazol-3-yl]carbamic acid
PubChem CID91264873
Molecular FormulaC11H9BrN6O3
Molecular Weight353.14 g/mol
Exact Mass351.99
IUPAC Name[4-(7-bromo-1-ethylimidazo[4,5-c]pyridin-2-yl)-1,2,5-oxadiazol-3-yl]carbamic acid
SMILESCCn1c(-c2nonc2NC(=O)O)nc2cncc(Br)c21
InChIInChI=1S/C11H9BrN6O3/c1-2-18-8-5(12)3-13-4-6(8)14-10(18)7-9(15-11(19)20)17-21-16-7/h3-4H,2H2,1H3,(H,15,17)(H,19,20)
InChIKeyGRCUPCNIEVFNNB-UHFFFAOYSA-N
XLogP2.35
TPSA118.96 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.14
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethylimidazo[4,5-c]pyridine-7-carboxylic acid
CID 69157882
[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethylimidazo[4,5-c]pyridin-7-yl]methanol;hydrochloride
CID 142808974
2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethyl-N-piperidin-1-ylimidazo[4,5-c]pyridine-7-carboxamide
CID 69158423
N-[4-(1-ethylbenzimidazol-2-yl)-1,2,5-oxadiazol-3-yl]-2,2,2-trifluoroacetamide
CID 10215170
4-(7-anilino-1-ethylimidazo[4,5-c]pyridin-2-yl)-1,2,5-oxadiazol-3-amine
CID 59681825
[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethylimidazo[4,5-c]pyridin-7-yl]-morpholin-4-ylmethanone
CID 69199358
[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethylimidazo[4,5-c]pyridin-7-yl]-(4-aminopiperidin-1-yl)methanone
CID 11152477
(2S)-2-amino-1-[4-[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethylimidazo[4,5-c]pyridine-7-carbonyl]piperazin-1-yl]propan-1-one;hydrochloride
CID 69158273
2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)imidazo[4,5-c]pyridine-7-carboxamide
CID 69157916
N-[4-[1-[(4-bromophenyl)methyl]benzimidazol-2-yl]-1,2,5-oxadiazol-3-yl]acetamide
CID 1280079
7-bromo-1-methylimidazo[4,5-c]pyridine-2-carboxylic acid
CID 24903742
N-[1-(2-aminoacetyl)piperidin-4-yl]-2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethylimidazo[4,5-c]pyridine-7-carboxamide
CID 10237882

Frequently Asked Questions

What is the IUPAC name of [4-(7-bromo-1-ethylimidazo[4,5-c]pyridin-2-yl)-1,2,5-oxadiazol-3-yl]carbamic acid?
The IUPAC name of [4-(7-bromo-1-ethylimidazo[4,5-c]pyridin-2-yl)-1,2,5-oxadiazol-3-yl]carbamic acid (CID 91264873) is [4-(7-bromo-1-ethylimidazo[4,5-c]pyridin-2-yl)-1,2,5-oxadiazol-3-yl]carbamic acid.
What is the SMILES notation for [4-(7-bromo-1-ethylimidazo[4,5-c]pyridin-2-yl)-1,2,5-oxadiazol-3-yl]carbamic acid?
The canonical SMILES for [4-(7-bromo-1-ethylimidazo[4,5-c]pyridin-2-yl)-1,2,5-oxadiazol-3-yl]carbamic acid is CCn1c(-c2nonc2NC(=O)O)nc2cncc(Br)c21.
What is the InChIKey of [4-(7-bromo-1-ethylimidazo[4,5-c]pyridin-2-yl)-1,2,5-oxadiazol-3-yl]carbamic acid?
The InChIKey is GRCUPCNIEVFNNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9BrN6O3/c1-2-18-8-5(12)3-13-4-6(8)14-10(18)7-9(15-11(19)20)17-21-16-7/h3-4H,2H2,1H3,(H,15,17)(H,19,20).
What are the key properties of [4-(7-bromo-1-ethylimidazo[4,5-c]pyridin-2-yl)-1,2,5-oxadiazol-3-yl]carbamic acid?
[4-(7-bromo-1-ethylimidazo[4,5-c]pyridin-2-yl)-1,2,5-oxadiazol-3-yl]carbamic acid has a molecular weight of 353.14 g/mol, XLogP of 2.35, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(7-bromo-1-ethylimidazo[4,5-c]pyridin-2-yl)-1,2,5-oxadiazol-3-yl]carbamic acid is sourced from PubChem (CID 91264873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).