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

C23H20ClF6N5O — CID 137210026

IUPAC2-(5-tert-butyl-4-chloro-2-methylpyrazol-3-yl)-4-(2,2,2-trifluoroethoxy)-6-[2-(trifluoromethyl)phenyl]-1H-imidazo[4,5-c]pyridine
SMILESCn1nc(C(C)(C)C)c(Cl)c1-c1nc2c(OCC(F)(F)F)nc(-c3ccccc3C(F)(F)F)cc2[nH]1
InChIInChI=1S/C23H20ClF6N5O/c1-21(2,3)18-15(24)17(35(4)34-18)19-31-14-9-13(11-7-5-6-8-12(11)23(28,29)30)32-20(16(14)33-19)36-10-22(25,26)27/h5-9H,10H2,1-4H3,(H,31,33)
InChIKeyHHUGLOKUNCZYCD-UHFFFAOYSA-N
MW531.89 g/mol
LogP6.94
Rot. Bonds4

About 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

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 (PubChem CID 137210026) has the molecular formula C23H20ClF6N5O and a molecular weight of 531.89 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-(5-tert-butyl-4-chloro-2-methylpyrazol-3-yl)-4-(2,2,2-trifluoroethoxy)-6-[2-(trifluoromethyl)phenyl]-1H-imidazo[4,5-c]pyridine
PubChem CID137210026
Molecular FormulaC23H20ClF6N5O
Molecular Weight531.89 g/mol
Exact Mass531.13
IUPAC Name2-(5-tert-butyl-4-chloro-2-methylpyrazol-3-yl)-4-(2,2,2-trifluoroethoxy)-6-[2-(trifluoromethyl)phenyl]-1H-imidazo[4,5-c]pyridine
SMILESCn1nc(C(C)(C)C)c(Cl)c1-c1nc2c(OCC(F)(F)F)nc(-c3ccccc3C(F)(F)F)cc2[nH]1
InChIInChI=1S/C23H20ClF6N5O/c1-21(2,3)18-15(24)17(35(4)34-18)19-31-14-9-13(11-7-5-6-8-12(11)23(28,29)30)32-20(16(14)33-19)36-10-22(25,26)27/h5-9H,10H2,1-4H3,(H,31,33)
InChIKeyHHUGLOKUNCZYCD-UHFFFAOYSA-N
XLogP6.94
TPSA68.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500531.89
LogP ≤ 56.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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
3-tert-butyl-5-[4-(2-methoxyethoxy)-6-[2-(trifluoromethyl)phenyl]-1H-imidazo[4,5-c]pyridin-2-yl]-1-methylpyrazole-4-carbonitrile
CID 136403203
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
6-chloro-N-[[5-(1,3-dimethylpyrazol-4-yl)-4-methyl-2-pyridinyl]methyl]-4-ethoxy-1H-imidazo[4,5-c]pyridin-2-amine
CID 164625126
Sodium 2-(5-tert-butyl-4-chloro-2-methylpyrazol-3-yl)-6-(2,6-dichlorophenyl)-4-methoxyimidazo[4,5-c]pyridin-3-ide
CID 58425445
Sodium 2-(5-tert-butyl-4-chloro-2-methylpyrazol-3-yl)-4-methoxy-6-[2-(trifluoromethyl)phenyl]imidazo[4,5-c]pyridin-3-ide
CID 58425474
2-(1-tert-butyl-5-methylpyrazol-4-yl)-6-(2-chlorophenyl)-4-methoxy-1H-imidazo[4,5-c]pyridine
CID 67412988
2-(1-tert-butylpyrazol-4-yl)-6-(2-chlorophenyl)-4-methoxy-1H-imidazo[4,5-c]pyridine
CID 67439176
2-(5-tert-butyl-4-chloro-2-methyl-2H-pyrazol-3-yl)-4-methoxy-6-(2-trifluoromethyl-phenyl)-3H-imidazo[4,5-c]pyridine
CID 135121201

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cn1nc(C(C)(C)C)c(Cl)c1-c1nc2c(OCC(F)(F)F)nc(-c3ccccc3C(F)(F)F)cc2[nH]1.
What is the InChIKey of 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?
The InChIKey is HHUGLOKUNCZYCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20ClF6N5O/c1-21(2,3)18-15(24)17(35(4)34-18)19-31-14-9-13(11-7-5-6-8-12(11)23(28,29)30)32-20(16(14)33-19)36-10-22(25,26)27/h5-9H,10H2,1-4H3,(H,31,33).
What are the key properties of 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?
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 has a molecular weight of 531.89 g/mol, XLogP of 6.94, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 137210026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).