3-[[7-bromo-6-[2-(2H-tetrazol-5-yl)phenyl]cyclopenta[c]pyran-5-yl]methyl]-5-chloro-2-cyclopropylimidazole-4-carboxylic acid

C23H16BrClN6O3 — CID 67619824

IUPAC3-[[7-bromo-6-[2-(2H-tetrazol-5-yl)phenyl]cyclopenta[c]pyran-5-yl]methyl]-5-chloro-2-cyclopropylimidazole-4-carboxylic acid
SMILESO=C(O)c1c(Cl)nc(C2CC2)n1Cc1c2ccocc-2c(Br)c1-c1ccccc1-c1nn[nH]n1
InChIInChI=1S/C23H16BrClN6O3/c24-18-16-10-34-8-7-12(16)15(9-31-19(23(32)33)20(25)26-22(31)11-5-6-11)17(18)13-3-1-2-4-14(13)21-27-29-30-28-21/h1-4,7-8,10-11H,5-6,9H2,(H,32,33)(H,27,28,29,30)
InChIKeyFZCXUYHHNPQAGY-UHFFFAOYSA-N
MW539.78 g/mol
LogP5.47
Rot. Bonds6

About 3-[[7-bromo-6-[2-(2H-tetrazol-5-yl)phenyl]cyclopenta[c]pyran-5-yl]methyl]-5-chloro-2-cyclopropylimidazole-4-carboxylic acid

3-[[7-bromo-6-[2-(2H-tetrazol-5-yl)phenyl]cyclopenta[c]pyran-5-yl]methyl]-5-chloro-2-cyclopropylimidazole-4-carboxylic acid (PubChem CID 67619824) has the molecular formula C23H16BrClN6O3 and a molecular weight of 539.78 g/mol. Its IUPAC name is 3-[[7-bromo-6-[2-(2H-tetrazol-5-yl)phenyl]cyclopenta[c]pyran-5-yl]methyl]-5-chloro-2-cyclopropylimidazole-4-carboxylic acid.

Molecular Properties

Compound Name3-[[7-bromo-6-[2-(2H-tetrazol-5-yl)phenyl]cyclopenta[c]pyran-5-yl]methyl]-5-chloro-2-cyclopropylimidazole-4-carboxylic acid
PubChem CID67619824
Molecular FormulaC23H16BrClN6O3
Molecular Weight539.78 g/mol
Exact Mass538.02
IUPAC Name3-[[7-bromo-6-[2-(2H-tetrazol-5-yl)phenyl]cyclopenta[c]pyran-5-yl]methyl]-5-chloro-2-cyclopropylimidazole-4-carboxylic acid
SMILESO=C(O)c1c(Cl)nc(C2CC2)n1Cc1c2ccocc-2c(Br)c1-c1ccccc1-c1nn[nH]n1
InChIInChI=1S/C23H16BrClN6O3/c24-18-16-10-34-8-7-12(16)15(9-31-19(23(32)33)20(25)26-22(31)11-5-6-11)17(18)13-3-1-2-4-14(13)21-27-29-30-28-21/h1-4,7-8,10-11H,5-6,9H2,(H,32,33)(H,27,28,29,30)
InChIKeyFZCXUYHHNPQAGY-UHFFFAOYSA-N
XLogP5.47
TPSA122.72 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500539.78
LogP ≤ 55.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 3-[[7-bromo-6-[2-(2H-tetrazol-5-yl)phenyl]cyclopenta[c]pyran-5-yl]methyl]-5-chloro-2-cyclopropylimidazole-4-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[[7-bromo-6-[2-(2H-tetrazol-5-yl)phenyl]cyclopenta[c]pyran-5-yl]methyl]-5-chloro-2-(cyclopropylmethyl)imidazole-4-carboxylic acid
CID 67621563
3-[[7-bromo-6-[2-(2H-tetrazol-5-yl)phenyl]cyclopenta[c]pyran-5-yl]methyl]-2,5-dimethylimidazole-4-carboxylic acid
CID 67822792
methyl 2-[[3-[[7-bromo-6-[2-(2H-tetrazol-5-yl)phenyl]cyclopenta[c]pyran-5-yl]methyl]-5-chloro-2-ethylimidazole-4-carbonyl]amino]acetate
CID 67907767
1-acetyloxyethyl 3-[[7-bromo-6-[2-(2H-tetrazol-5-yl)phenyl]cyclopenta[c]pyran-5-yl]methyl]-2-butyl-5-chloroimidazole-4-carboxylate
CID 57064848
3-[[7-bromo-6-[2-(2H-tetrazol-5-yl)phenyl]cyclopenta[c]pyran-5-yl]methyl]-2-ethyl-6-methylpyrimidin-4-one
CID 67892912
[3-[[7-bromo-6-[2-(2H-tetrazol-5-yl)phenyl]cyclopenta[c]pyran-5-yl]methyl]-2-ethylimidazo[4,5-b]pyridin-5-yl]methanol
CID 67824587
3-[[6-[2-bromo-6-(2H-tetrazol-5-yl)phenyl]cyclopenta[c]pyran-5-yl]methyl]-2-butyl-5-chloroimidazole-4-carboxylic acid
CID 67944768
1-[[7-bromo-6-[2-(2H-tetrazol-5-yl)phenyl]cyclopenta[c]pyran-5-yl]methyl]-2-ethyl-4-methyl-6,7-dihydroimidazo[4,5-e][1,4]diazepine-5,8-dione
CID 67892990
3-[[7-bromo-6-[2-(2H-tetrazol-5-yl)phenyl]cyclopenta[c]pyran-5-yl]methyl]-5,7-dimethyl-2-propylimidazo[4,5-b]pyridine
CID 67824868
3-[[7-bromo-6-[2-(2H-tetrazol-5-yl)phenyl]cyclopenta[c]pyran-5-yl]methyl]-2-butyl-1,2-dihydrobenzimidazole
CID 67824484
2-butyl-5-chloro-3-[[6-[4-(2H-tetrazol-5-yl)phenyl]-7-(trifluoromethyl)cyclopenta[c]pyran-5-yl]methyl]imidazole-4-carboxylic acid
CID 67822983
3-[[7-bromo-6-[2-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]cyclopenta[c]pyran-5-yl]methyl]-5-chloro-2-ethylimidazole-4-carboxylic acid
CID 67823257

Frequently Asked Questions

What is the IUPAC name of 3-[[7-bromo-6-[2-(2H-tetrazol-5-yl)phenyl]cyclopenta[c]pyran-5-yl]methyl]-5-chloro-2-cyclopropylimidazole-4-carboxylic acid?
The IUPAC name of 3-[[7-bromo-6-[2-(2H-tetrazol-5-yl)phenyl]cyclopenta[c]pyran-5-yl]methyl]-5-chloro-2-cyclopropylimidazole-4-carboxylic acid (CID 67619824) is 3-[[7-bromo-6-[2-(2H-tetrazol-5-yl)phenyl]cyclopenta[c]pyran-5-yl]methyl]-5-chloro-2-cyclopropylimidazole-4-carboxylic acid.
What is the SMILES notation for 3-[[7-bromo-6-[2-(2H-tetrazol-5-yl)phenyl]cyclopenta[c]pyran-5-yl]methyl]-5-chloro-2-cyclopropylimidazole-4-carboxylic acid?
The canonical SMILES for 3-[[7-bromo-6-[2-(2H-tetrazol-5-yl)phenyl]cyclopenta[c]pyran-5-yl]methyl]-5-chloro-2-cyclopropylimidazole-4-carboxylic acid is O=C(O)c1c(Cl)nc(C2CC2)n1Cc1c2ccocc-2c(Br)c1-c1ccccc1-c1nn[nH]n1.
What is the InChIKey of 3-[[7-bromo-6-[2-(2H-tetrazol-5-yl)phenyl]cyclopenta[c]pyran-5-yl]methyl]-5-chloro-2-cyclopropylimidazole-4-carboxylic acid?
The InChIKey is FZCXUYHHNPQAGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16BrClN6O3/c24-18-16-10-34-8-7-12(16)15(9-31-19(23(32)33)20(25)26-22(31)11-5-6-11)17(18)13-3-1-2-4-14(13)21-27-29-30-28-21/h1-4,7-8,10-11H,5-6,9H2,(H,32,33)(H,27,28,29,30).
What are the key properties of 3-[[7-bromo-6-[2-(2H-tetrazol-5-yl)phenyl]cyclopenta[c]pyran-5-yl]methyl]-5-chloro-2-cyclopropylimidazole-4-carboxylic acid?
3-[[7-bromo-6-[2-(2H-tetrazol-5-yl)phenyl]cyclopenta[c]pyran-5-yl]methyl]-5-chloro-2-cyclopropylimidazole-4-carboxylic acid has a molecular weight of 539.78 g/mol, XLogP of 5.47, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[7-bromo-6-[2-(2H-tetrazol-5-yl)phenyl]cyclopenta[c]pyran-5-yl]methyl]-5-chloro-2-cyclopropylimidazole-4-carboxylic acid is sourced from PubChem (CID 67619824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).