2-(5-tert-butyl-4-chloro-2-methylpyrazol-3-yl)-4-methoxy-6-[2-(trifluoromethyl)phenyl]imidazo[4,5-c]pyridin-3-ide

C22H20ClF3N5O- — CID 135121201

IUPAC2-(5-tert-butyl-4-chloro-2-methylpyrazol-3-yl)-4-methoxy-6-[2-(trifluoromethyl)phenyl]imidazo[4,5-c]pyridin-3-ide
SMILESCOc1nc(-c2ccccc2C(F)(F)F)cc2nc(-c3c(Cl)c(C(C)(C)C)nn3C)[n-]c12
InChIInChI=1S/C22H20ClF3N5O/c1-21(2,3)18-15(23)17(31(4)30-18)19-27-14-10-13(28-20(32-5)16(14)29-19)11-8-6-7-9-12(11)22(24,25)26/h6-10H,1-5H3/q-1
InChIKeyOMCUUIFOGZQNRN-UHFFFAOYSA-N
MW462.88 g/mol
LogP5.63
Rot. Bonds3

About 2-(5-tert-butyl-4-chloro-2-methylpyrazol-3-yl)-4-methoxy-6-[2-(trifluoromethyl)phenyl]imidazo[4,5-c]pyridin-3-ide

2-(5-tert-butyl-4-chloro-2-methylpyrazol-3-yl)-4-methoxy-6-[2-(trifluoromethyl)phenyl]imidazo[4,5-c]pyridin-3-ide (PubChem CID 135121201) has the molecular formula C22H20ClF3N5O- and a molecular weight of 462.88 g/mol. Its IUPAC name is 2-(5-tert-butyl-4-chloro-2-methylpyrazol-3-yl)-4-methoxy-6-[2-(trifluoromethyl)phenyl]imidazo[4,5-c]pyridin-3-ide.

Molecular Properties

Compound Name2-(5-tert-butyl-4-chloro-2-methylpyrazol-3-yl)-4-methoxy-6-[2-(trifluoromethyl)phenyl]imidazo[4,5-c]pyridin-3-ide
PubChem CID135121201
Molecular FormulaC22H20ClF3N5O-
Molecular Weight462.88 g/mol
Exact Mass462.13
IUPAC Name2-(5-tert-butyl-4-chloro-2-methylpyrazol-3-yl)-4-methoxy-6-[2-(trifluoromethyl)phenyl]imidazo[4,5-c]pyridin-3-ide
SMILESCOc1nc(-c2ccccc2C(F)(F)F)cc2nc(-c3c(Cl)c(C(C)(C)C)nn3C)[n-]c12
InChIInChI=1S/C22H20ClF3N5O/c1-21(2,3)18-15(23)17(31(4)30-18)19-27-14-10-13(28-20(32-5)16(14)29-19)11-8-6-7-9-12(11)22(24,25)26/h6-10H,1-5H3/q-1
InChIKeyOMCUUIFOGZQNRN-UHFFFAOYSA-N
XLogP5.63
TPSA66.93 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500462.88
LogP ≤ 55.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(5-tert-butyl-4-chloro-2-methylpyrazol-3-yl)-4-methoxy-6-[2-(trifluoromethyl)phenyl]imidazo[4,5-c]pyridin-3-ide?
The IUPAC name of 2-(5-tert-butyl-4-chloro-2-methylpyrazol-3-yl)-4-methoxy-6-[2-(trifluoromethyl)phenyl]imidazo[4,5-c]pyridin-3-ide (CID 135121201) is 2-(5-tert-butyl-4-chloro-2-methylpyrazol-3-yl)-4-methoxy-6-[2-(trifluoromethyl)phenyl]imidazo[4,5-c]pyridin-3-ide.
What is the SMILES notation for 2-(5-tert-butyl-4-chloro-2-methylpyrazol-3-yl)-4-methoxy-6-[2-(trifluoromethyl)phenyl]imidazo[4,5-c]pyridin-3-ide?
The canonical SMILES for 2-(5-tert-butyl-4-chloro-2-methylpyrazol-3-yl)-4-methoxy-6-[2-(trifluoromethyl)phenyl]imidazo[4,5-c]pyridin-3-ide is COc1nc(-c2ccccc2C(F)(F)F)cc2nc(-c3c(Cl)c(C(C)(C)C)nn3C)[n-]c12.
What is the InChIKey of 2-(5-tert-butyl-4-chloro-2-methylpyrazol-3-yl)-4-methoxy-6-[2-(trifluoromethyl)phenyl]imidazo[4,5-c]pyridin-3-ide?
The InChIKey is OMCUUIFOGZQNRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20ClF3N5O/c1-21(2,3)18-15(23)17(31(4)30-18)19-27-14-10-13(28-20(32-5)16(14)29-19)11-8-6-7-9-12(11)22(24,25)26/h6-10H,1-5H3/q-1.
What are the key properties of 2-(5-tert-butyl-4-chloro-2-methylpyrazol-3-yl)-4-methoxy-6-[2-(trifluoromethyl)phenyl]imidazo[4,5-c]pyridin-3-ide?
2-(5-tert-butyl-4-chloro-2-methylpyrazol-3-yl)-4-methoxy-6-[2-(trifluoromethyl)phenyl]imidazo[4,5-c]pyridin-3-ide has a molecular weight of 462.88 g/mol, XLogP of 5.63, 3 rotatable bonds, 0 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-methoxy-6-[2-(trifluoromethyl)phenyl]imidazo[4,5-c]pyridin-3-ide is sourced from PubChem (CID 135121201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).