2-(1-tert-butylpyrazol-4-yl)-6-(2-chlorophenyl)-4-methoxy-1H-imidazo[4,5-c]pyridine

C20H20ClN5O — CID 67439176

IUPAC2-(1-tert-butylpyrazol-4-yl)-6-(2-chlorophenyl)-4-methoxy-1H-imidazo[4,5-c]pyridine
SMILESCOc1nc(-c2ccccc2Cl)cc2[nH]c(-c3cnn(C(C)(C)C)c3)nc12
InChIInChI=1S/C20H20ClN5O/c1-20(2,3)26-11-12(10-22-26)18-23-16-9-15(13-7-5-6-8-14(13)21)24-19(27-4)17(16)25-18/h5-11H,1-4H3,(H,23,25)
InChIKeyVQZSALFKKGSHOO-UHFFFAOYSA-N
MW381.87 g/mol
LogP4.91
Rot. Bonds3

About 2-(1-tert-butylpyrazol-4-yl)-6-(2-chlorophenyl)-4-methoxy-1H-imidazo[4,5-c]pyridine

2-(1-tert-butylpyrazol-4-yl)-6-(2-chlorophenyl)-4-methoxy-1H-imidazo[4,5-c]pyridine (PubChem CID 67439176) has the molecular formula C20H20ClN5O and a molecular weight of 381.87 g/mol. Its IUPAC name is 2-(1-tert-butylpyrazol-4-yl)-6-(2-chlorophenyl)-4-methoxy-1H-imidazo[4,5-c]pyridine.

Molecular Properties

Compound Name2-(1-tert-butylpyrazol-4-yl)-6-(2-chlorophenyl)-4-methoxy-1H-imidazo[4,5-c]pyridine
PubChem CID67439176
Molecular FormulaC20H20ClN5O
Molecular Weight381.87 g/mol
Exact Mass381.14
IUPAC Name2-(1-tert-butylpyrazol-4-yl)-6-(2-chlorophenyl)-4-methoxy-1H-imidazo[4,5-c]pyridine
SMILESCOc1nc(-c2ccccc2Cl)cc2[nH]c(-c3cnn(C(C)(C)C)c3)nc12
InChIInChI=1S/C20H20ClN5O/c1-20(2,3)26-11-12(10-22-26)18-23-16-9-15(13-7-5-6-8-14(13)21)24-19(27-4)17(16)25-18/h5-11H,1-4H3,(H,23,25)
InChIKeyVQZSALFKKGSHOO-UHFFFAOYSA-N
XLogP4.91
TPSA68.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.87
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1H-Pyrrolo[3,2-b]pyridine, 3-(4-chloro-1H-pyrrolo[2,3-b]pyridin-2-yl)-5,6-dimethoxy-1-methyl-
CID 11638731
7-(2-chlorophenyl)-3-(2-fluorophenyl)-2-((2-methyl-2H-1,2,4-triazol-3-yl)methoxy)pyrazolo[1,5-d][1,2,4]triazine
CID 18406869
3-(3-chlorophenyl)-7-(2-fluorophenyl)-2-((2-methyl-2H-1,2,4-triazol-3-yl)methoxy)pyrazolo[1,5-d][1,2,4]triazine
CID 18406948
3-(2-chlorophenyl)-7-(2-fluorophenyl)-2-((2-methyl-2H-1,2,4-triazol-3-yl)methoxy)pyrazolo[1,5-d][1,2,4]triazine
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6-methoxy-2-(4-(2-(5-methoxypyridin-3-yl)vinyl)-1H-pyrazol-3-yl)-1H-benzo[d]imidazole
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2-(3-tert-butyl-4-chloro-1-methyl-1H-pyrazol-5-yl)-6-(2-chlorophenyl)-4-methoxy-3H-imidazo[4,5-c]pyridine
CID 136073152
2-(5-tert-butyl-4-chloro-2-methylpyrazol-3-yl)-4-(2,2,2-trifluoroethoxy)-6-[2-(trifluoromethoxy)phenyl]-1H-imidazo[4,5-c]pyridine
CID 136360729
2-(5-tert-butyl-4-chloro-2-methylpyrazol-3-yl)-4-(2-methoxyethoxy)-6-[2-(trifluoromethyl)phenyl]-1H-imidazo[4,5-c]pyridine
CID 136377484
2-(5-tert-butyl-4-chloro-2-methylpyrazol-3-yl)-6-(2-chlorophenyl)-4-(2,2,2-trifluoroethoxy)-1H-imidazo[4,5-c]pyridine
CID 136377488
2-(5-tert-butyl-4-chloro-2-methylpyrazol-3-yl)-4-propan-2-yloxy-6-[2-(trifluoromethyl)phenyl]-1H-imidazo[4,5-c]pyridine
CID 136619952
2-(5-tert-butyl-4-chloro-2-methylpyrazol-3-yl)-4-(2,2,2-trifluoroethoxy)-6-[2-(trifluoromethyl)phenyl]-1H-imidazo[4,5-c]pyridine
CID 137210026
N-{[3-(2-chlorophenyl)-1-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl}-2-(4-methyl-1H-imidazol-2-yl)ethanamine
CID 16187530

Frequently Asked Questions

What is the IUPAC name of 2-(1-tert-butylpyrazol-4-yl)-6-(2-chlorophenyl)-4-methoxy-1H-imidazo[4,5-c]pyridine?
The IUPAC name of 2-(1-tert-butylpyrazol-4-yl)-6-(2-chlorophenyl)-4-methoxy-1H-imidazo[4,5-c]pyridine (CID 67439176) is 2-(1-tert-butylpyrazol-4-yl)-6-(2-chlorophenyl)-4-methoxy-1H-imidazo[4,5-c]pyridine.
What is the SMILES notation for 2-(1-tert-butylpyrazol-4-yl)-6-(2-chlorophenyl)-4-methoxy-1H-imidazo[4,5-c]pyridine?
The canonical SMILES for 2-(1-tert-butylpyrazol-4-yl)-6-(2-chlorophenyl)-4-methoxy-1H-imidazo[4,5-c]pyridine is COc1nc(-c2ccccc2Cl)cc2[nH]c(-c3cnn(C(C)(C)C)c3)nc12.
What is the InChIKey of 2-(1-tert-butylpyrazol-4-yl)-6-(2-chlorophenyl)-4-methoxy-1H-imidazo[4,5-c]pyridine?
The InChIKey is VQZSALFKKGSHOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20ClN5O/c1-20(2,3)26-11-12(10-22-26)18-23-16-9-15(13-7-5-6-8-14(13)21)24-19(27-4)17(16)25-18/h5-11H,1-4H3,(H,23,25).
What are the key properties of 2-(1-tert-butylpyrazol-4-yl)-6-(2-chlorophenyl)-4-methoxy-1H-imidazo[4,5-c]pyridine?
2-(1-tert-butylpyrazol-4-yl)-6-(2-chlorophenyl)-4-methoxy-1H-imidazo[4,5-c]pyridine has a molecular weight of 381.87 g/mol, XLogP of 4.91, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-tert-butylpyrazol-4-yl)-6-(2-chlorophenyl)-4-methoxy-1H-imidazo[4,5-c]pyridine is sourced from PubChem (CID 67439176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).