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

C22H20ClF3N5NaO — CID 58425474

IUPACsodium 2-(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.[Na+]
InChIInChI=1S/C22H20ClF3N5O.Na/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;+1
InChIKeyDBHIOLAWQHKOOK-UHFFFAOYSA-N
MW485.87 g/mol
LogP2.64
Rot. Bonds3

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

sodium 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 58425474) has the molecular formula C22H20ClF3N5NaO and a molecular weight of 485.87 g/mol. Its IUPAC name is sodium 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 Namesodium 2-(5-tert-butyl-4-chloro-2-methylpyrazol-3-yl)-4-methoxy-6-[2-(trifluoromethyl)phenyl]imidazo[4,5-c]pyridin-3-ide
PubChem CID58425474
Molecular FormulaC22H20ClF3N5NaO
Molecular Weight485.87 g/mol
Exact Mass485.12
IUPAC Namesodium 2-(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.[Na+]
InChIInChI=1S/C22H20ClF3N5O.Na/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;+1
InChIKeyDBHIOLAWQHKOOK-UHFFFAOYSA-N
XLogP2.64
TPSA66.93 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.87
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of sodium 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 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) is sodium 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 sodium 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 sodium 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.[Na+].
What is the InChIKey of sodium 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 DBHIOLAWQHKOOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20ClF3N5O.Na/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;+1.
What are the key properties of sodium 2-(5-tert-butyl-4-chloro-2-methylpyrazol-3-yl)-4-methoxy-6-[2-(trifluoromethyl)phenyl]imidazo[4,5-c]pyridin-3-ide?
sodium 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 485.87 g/mol, XLogP of 2.64, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for sodium 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 58425474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).