1-(4-bromophenyl)-7-chloro-3-cyclopentylpyrazolo[3,4-c]pyridine

C17H15BrClN3 — CID 166519062

IUPAC1-(4-bromophenyl)-7-chloro-3-cyclopentylpyrazolo[3,4-c]pyridine
SMILESClc1nccc2c(C3CCCC3)nn(-c3ccc(Br)cc3)c12
InChIInChI=1S/C17H15BrClN3/c18-12-5-7-13(8-6-12)22-16-14(9-10-20-17(16)19)15(21-22)11-3-1-2-4-11/h5-11H,1-4H2
InChIKeyWBPSZUBDLYABHL-UHFFFAOYSA-N
MW376.69 g/mol
LogP5.49
Rot. Bonds2

About 1-(4-bromophenyl)-7-chloro-3-cyclopentylpyrazolo[3,4-c]pyridine

1-(4-bromophenyl)-7-chloro-3-cyclopentylpyrazolo[3,4-c]pyridine (PubChem CID 166519062) has the molecular formula C17H15BrClN3 and a molecular weight of 376.69 g/mol. Its IUPAC name is 1-(4-bromophenyl)-7-chloro-3-cyclopentylpyrazolo[3,4-c]pyridine.

Molecular Properties

Compound Name1-(4-bromophenyl)-7-chloro-3-cyclopentylpyrazolo[3,4-c]pyridine
PubChem CID166519062
Molecular FormulaC17H15BrClN3
Molecular Weight376.69 g/mol
Exact Mass375.01
IUPAC Name1-(4-bromophenyl)-7-chloro-3-cyclopentylpyrazolo[3,4-c]pyridine
SMILESClc1nccc2c(C3CCCC3)nn(-c3ccc(Br)cc3)c12
InChIInChI=1S/C17H15BrClN3/c18-12-5-7-13(8-6-12)22-16-14(9-10-20-17(16)19)15(21-22)11-3-1-2-4-11/h5-11H,1-4H2
InChIKeyWBPSZUBDLYABHL-UHFFFAOYSA-N
XLogP5.49
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.69
LogP ≤ 55.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

3-cyclopentyl-1-(4-phenoxyphenyl)pyrazolo[3,4-c]pyridin-7-amine
CID 22037819
1-(4-bromophenyl)-3-cyclobutyl-5,6-dihydro-4H-pyrrolo[2,3-c]pyrazole
CID 3562750
3-bromo-2-chloro-4-cyclohexylpyridine
CID 130138659
6-bromo-1-cyclohexylisoquinoline
CID 156598771
3-cyclopentyl-1-phenylpyrazolo[3,4-b]pyridine-5-carboxylic acid
CID 16779564
3-[1-(1-methylpiperidin-4-yl)piperidin-4-yl]-1-(4-phenoxyphenyl)pyrazolo[3,4-c]pyridin-7-amine
CID 22037830
7-(4-bromophenyl)-6-chloropurine
CID 132588061
1-[(4-bromophenyl)methyl]-2-cyclohexylimidazole
CID 82562055
3-cyclopentyl-1-(4-fluorophenyl)-5,6,7,8-tetrahydro-4H-pyrazolo[3,4-b]azepine
CID 3330730
2-(4-bromophenyl)-3-chloro-4,6-dihydrothieno[3,4-c]pyrazole
CID 83191978
1-[(3R)-3-[7-amino-1-(4-phenoxyphenyl)pyrazolo[3,4-c]pyridin-3-yl]piperidin-1-yl]-2-(2-methoxyethoxy)ethanone
CID 122636473
4-[3-cyclopropyl-1-(4-cyclopropylphenyl)indazol-6-yl]pyridin-2-amine
CID 147526161

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-7-chloro-3-cyclopentylpyrazolo[3,4-c]pyridine?
The IUPAC name of 1-(4-bromophenyl)-7-chloro-3-cyclopentylpyrazolo[3,4-c]pyridine (CID 166519062) is 1-(4-bromophenyl)-7-chloro-3-cyclopentylpyrazolo[3,4-c]pyridine.
What is the SMILES notation for 1-(4-bromophenyl)-7-chloro-3-cyclopentylpyrazolo[3,4-c]pyridine?
The canonical SMILES for 1-(4-bromophenyl)-7-chloro-3-cyclopentylpyrazolo[3,4-c]pyridine is Clc1nccc2c(C3CCCC3)nn(-c3ccc(Br)cc3)c12.
What is the InChIKey of 1-(4-bromophenyl)-7-chloro-3-cyclopentylpyrazolo[3,4-c]pyridine?
The InChIKey is WBPSZUBDLYABHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15BrClN3/c18-12-5-7-13(8-6-12)22-16-14(9-10-20-17(16)19)15(21-22)11-3-1-2-4-11/h5-11H,1-4H2.
What are the key properties of 1-(4-bromophenyl)-7-chloro-3-cyclopentylpyrazolo[3,4-c]pyridine?
1-(4-bromophenyl)-7-chloro-3-cyclopentylpyrazolo[3,4-c]pyridine has a molecular weight of 376.69 g/mol, XLogP of 5.49, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-7-chloro-3-cyclopentylpyrazolo[3,4-c]pyridine is sourced from PubChem (CID 166519062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).