1-(6-bromoimidazo[1,2-a]pyridin-2-yl)-3-[2-(2-ethyl-1,3-dihydrotetrazol-5-yl)ethyl]urea

C13H17BrN8O — CID 143527874

IUPAC1-(6-bromoimidazo[1,2-a]pyridin-2-yl)-3-[2-(2-ethyl-1,3-dihydrotetrazol-5-yl)ethyl]urea
SMILESCCN1NN=C(CCNC(=O)Nc2cn3cc(Br)ccc3n2)N1
InChIInChI=1S/C13H17BrN8O/c1-2-22-19-10(18-20-22)5-6-15-13(23)17-11-8-21-7-9(14)3-4-12(21)16-11/h3-4,7-8,20H,2,5-6H2,1H3,(H,18,19)(H2,15,17,23)
InChIKeyQHRVBOVZWSBZRO-UHFFFAOYSA-N
MW381.24 g/mol
LogP1.27
Rot. Bonds5

About 1-(6-bromoimidazo[1,2-a]pyridin-2-yl)-3-[2-(2-ethyl-1,3-dihydrotetrazol-5-yl)ethyl]urea

1-(6-bromoimidazo[1,2-a]pyridin-2-yl)-3-[2-(2-ethyl-1,3-dihydrotetrazol-5-yl)ethyl]urea (PubChem CID 143527874) has the molecular formula C13H17BrN8O and a molecular weight of 381.24 g/mol. Its IUPAC name is 1-(6-bromoimidazo[1,2-a]pyridin-2-yl)-3-[2-(2-ethyl-1,3-dihydrotetrazol-5-yl)ethyl]urea.

Molecular Properties

Compound Name1-(6-bromoimidazo[1,2-a]pyridin-2-yl)-3-[2-(2-ethyl-1,3-dihydrotetrazol-5-yl)ethyl]urea
PubChem CID143527874
Molecular FormulaC13H17BrN8O
Molecular Weight381.24 g/mol
Exact Mass380.07
IUPAC Name1-(6-bromoimidazo[1,2-a]pyridin-2-yl)-3-[2-(2-ethyl-1,3-dihydrotetrazol-5-yl)ethyl]urea
SMILESCCN1NN=C(CCNC(=O)Nc2cn3cc(Br)ccc3n2)N1
InChIInChI=1S/C13H17BrN8O/c1-2-22-19-10(18-20-22)5-6-15-13(23)17-11-8-21-7-9(14)3-4-12(21)16-11/h3-4,7-8,20H,2,5-6H2,1H3,(H,18,19)(H2,15,17,23)
InChIKeyQHRVBOVZWSBZRO-UHFFFAOYSA-N
XLogP1.27
TPSA98.09 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.24
LogP ≤ 51.27
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-(6-bromoimidazo[1,2-a]pyridin-2-yl)-3-[2-(2-ethyl-1,3-dihydrotetrazol-5-yl)ethyl]urea?
The IUPAC name of 1-(6-bromoimidazo[1,2-a]pyridin-2-yl)-3-[2-(2-ethyl-1,3-dihydrotetrazol-5-yl)ethyl]urea (CID 143527874) is 1-(6-bromoimidazo[1,2-a]pyridin-2-yl)-3-[2-(2-ethyl-1,3-dihydrotetrazol-5-yl)ethyl]urea.
What is the SMILES notation for 1-(6-bromoimidazo[1,2-a]pyridin-2-yl)-3-[2-(2-ethyl-1,3-dihydrotetrazol-5-yl)ethyl]urea?
The canonical SMILES for 1-(6-bromoimidazo[1,2-a]pyridin-2-yl)-3-[2-(2-ethyl-1,3-dihydrotetrazol-5-yl)ethyl]urea is CCN1NN=C(CCNC(=O)Nc2cn3cc(Br)ccc3n2)N1.
What is the InChIKey of 1-(6-bromoimidazo[1,2-a]pyridin-2-yl)-3-[2-(2-ethyl-1,3-dihydrotetrazol-5-yl)ethyl]urea?
The InChIKey is QHRVBOVZWSBZRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17BrN8O/c1-2-22-19-10(18-20-22)5-6-15-13(23)17-11-8-21-7-9(14)3-4-12(21)16-11/h3-4,7-8,20H,2,5-6H2,1H3,(H,18,19)(H2,15,17,23).
What are the key properties of 1-(6-bromoimidazo[1,2-a]pyridin-2-yl)-3-[2-(2-ethyl-1,3-dihydrotetrazol-5-yl)ethyl]urea?
1-(6-bromoimidazo[1,2-a]pyridin-2-yl)-3-[2-(2-ethyl-1,3-dihydrotetrazol-5-yl)ethyl]urea has a molecular weight of 381.24 g/mol, XLogP of 1.27, 5 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-bromoimidazo[1,2-a]pyridin-2-yl)-3-[2-(2-ethyl-1,3-dihydrotetrazol-5-yl)ethyl]urea is sourced from PubChem (CID 143527874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).