2-[2-methyl-4-[[1-[4-(trifluoromethoxy)phenyl]pyrazolo[4,3-c]pyridin-3-yl]methoxy]phenoxy]acetic acid

C23H18F3N3O5 — CID 16659757

IUPAC2-[2-methyl-4-[[1-[4-(trifluoromethoxy)phenyl]pyrazolo[4,3-c]pyridin-3-yl]methoxy]phenoxy]acetic acid
SMILESCc1cc(OCc2nn(-c3ccc(OC(F)(F)F)cc3)c3ccncc23)ccc1OCC(=O)O
InChIInChI=1S/C23H18F3N3O5/c1-14-10-17(6-7-21(14)33-13-22(30)31)32-12-19-18-11-27-9-8-20(18)29(28-19)15-2-4-16(5-3-15)34-23(24,25)26/h2-11H,12-13H2,1H3,(H,30,31)
InChIKeyKSFOTJMPVHYSGX-UHFFFAOYSA-N
MW473.41 g/mol
LogP4.67
Rot. Bonds8

About 2-[2-methyl-4-[[1-[4-(trifluoromethoxy)phenyl]pyrazolo[4,3-c]pyridin-3-yl]methoxy]phenoxy]acetic acid

2-[2-methyl-4-[[1-[4-(trifluoromethoxy)phenyl]pyrazolo[4,3-c]pyridin-3-yl]methoxy]phenoxy]acetic acid (PubChem CID 16659757) has the molecular formula C23H18F3N3O5 and a molecular weight of 473.41 g/mol. Its IUPAC name is 2-[2-methyl-4-[[1-[4-(trifluoromethoxy)phenyl]pyrazolo[4,3-c]pyridin-3-yl]methoxy]phenoxy]acetic acid.

Molecular Properties

Compound Name2-[2-methyl-4-[[1-[4-(trifluoromethoxy)phenyl]pyrazolo[4,3-c]pyridin-3-yl]methoxy]phenoxy]acetic acid
PubChem CID16659757
Molecular FormulaC23H18F3N3O5
Molecular Weight473.41 g/mol
Exact Mass473.12
IUPAC Name2-[2-methyl-4-[[1-[4-(trifluoromethoxy)phenyl]pyrazolo[4,3-c]pyridin-3-yl]methoxy]phenoxy]acetic acid
SMILESCc1cc(OCc2nn(-c3ccc(OC(F)(F)F)cc3)c3ccncc23)ccc1OCC(=O)O
InChIInChI=1S/C23H18F3N3O5/c1-14-10-17(6-7-21(14)33-13-22(30)31)32-12-19-18-11-27-9-8-20(18)29(28-19)15-2-4-16(5-3-15)34-23(24,25)26/h2-11H,12-13H2,1H3,(H,30,31)
InChIKeyKSFOTJMPVHYSGX-UHFFFAOYSA-N
XLogP4.67
TPSA95.70 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.41
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[2-methyl-4-[[1-[4-(trifluoromethoxy)phenyl]pyrazolo[4,3-c]pyridin-3-yl]methoxy]phenoxy]acetic acid?
The IUPAC name of 2-[2-methyl-4-[[1-[4-(trifluoromethoxy)phenyl]pyrazolo[4,3-c]pyridin-3-yl]methoxy]phenoxy]acetic acid (CID 16659757) is 2-[2-methyl-4-[[1-[4-(trifluoromethoxy)phenyl]pyrazolo[4,3-c]pyridin-3-yl]methoxy]phenoxy]acetic acid.
What is the SMILES notation for 2-[2-methyl-4-[[1-[4-(trifluoromethoxy)phenyl]pyrazolo[4,3-c]pyridin-3-yl]methoxy]phenoxy]acetic acid?
The canonical SMILES for 2-[2-methyl-4-[[1-[4-(trifluoromethoxy)phenyl]pyrazolo[4,3-c]pyridin-3-yl]methoxy]phenoxy]acetic acid is Cc1cc(OCc2nn(-c3ccc(OC(F)(F)F)cc3)c3ccncc23)ccc1OCC(=O)O.
What is the InChIKey of 2-[2-methyl-4-[[1-[4-(trifluoromethoxy)phenyl]pyrazolo[4,3-c]pyridin-3-yl]methoxy]phenoxy]acetic acid?
The InChIKey is KSFOTJMPVHYSGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18F3N3O5/c1-14-10-17(6-7-21(14)33-13-22(30)31)32-12-19-18-11-27-9-8-20(18)29(28-19)15-2-4-16(5-3-15)34-23(24,25)26/h2-11H,12-13H2,1H3,(H,30,31).
What are the key properties of 2-[2-methyl-4-[[1-[4-(trifluoromethoxy)phenyl]pyrazolo[4,3-c]pyridin-3-yl]methoxy]phenoxy]acetic acid?
2-[2-methyl-4-[[1-[4-(trifluoromethoxy)phenyl]pyrazolo[4,3-c]pyridin-3-yl]methoxy]phenoxy]acetic acid has a molecular weight of 473.41 g/mol, XLogP of 4.67, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-methyl-4-[[1-[4-(trifluoromethoxy)phenyl]pyrazolo[4,3-c]pyridin-3-yl]methoxy]phenoxy]acetic acid is sourced from PubChem (CID 16659757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).