3-[cyclopropylmethoxy(difluoro)methyl]-6-[5-fluoro-6-[1-(trifluoromethyl)cyclopropyl]oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyridine

C20H16F6N4O2 — CID 162614041

IUPAC3-[cyclopropylmethoxy(difluoro)methyl]-6-[5-fluoro-6-[1-(trifluoromethyl)cyclopropyl]oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyridine
SMILESFc1cc(-c2ccc3nnc(C(F)(F)OCC4CC4)n3c2)cnc1OC1(C(F)(F)F)CC1
InChIInChI=1S/C20H16F6N4O2/c21-14-7-13(8-27-16(14)32-18(5-6-18)20(24,25)26)12-3-4-15-28-29-17(30(15)9-12)19(22,23)31-10-11-1-2-11/h3-4,7-9,11H,1-2,5-6,10H2
InChIKeyVRFDMLSIQYWZKN-UHFFFAOYSA-N
MW458.36 g/mol
LogP4.88
Rot. Bonds7

About 3-[cyclopropylmethoxy(difluoro)methyl]-6-[5-fluoro-6-[1-(trifluoromethyl)cyclopropyl]oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyridine

3-[cyclopropylmethoxy(difluoro)methyl]-6-[5-fluoro-6-[1-(trifluoromethyl)cyclopropyl]oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyridine (PubChem CID 162614041) has the molecular formula C20H16F6N4O2 and a molecular weight of 458.36 g/mol. Its IUPAC name is 3-[cyclopropylmethoxy(difluoro)methyl]-6-[5-fluoro-6-[1-(trifluoromethyl)cyclopropyl]oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyridine.

Molecular Properties

Compound Name3-[cyclopropylmethoxy(difluoro)methyl]-6-[5-fluoro-6-[1-(trifluoromethyl)cyclopropyl]oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyridine
PubChem CID162614041
Molecular FormulaC20H16F6N4O2
Molecular Weight458.36 g/mol
Exact Mass458.12
IUPAC Name3-[cyclopropylmethoxy(difluoro)methyl]-6-[5-fluoro-6-[1-(trifluoromethyl)cyclopropyl]oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyridine
SMILESFc1cc(-c2ccc3nnc(C(F)(F)OCC4CC4)n3c2)cnc1OC1(C(F)(F)F)CC1
InChIInChI=1S/C20H16F6N4O2/c21-14-7-13(8-27-16(14)32-18(5-6-18)20(24,25)26)12-3-4-15-28-29-17(30(15)9-12)19(22,23)31-10-11-1-2-11/h3-4,7-9,11H,1-2,5-6,10H2
InChIKeyVRFDMLSIQYWZKN-UHFFFAOYSA-N
XLogP4.88
TPSA61.54 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.36
LogP ≤ 54.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[cyclopropylmethoxy(difluoro)methyl]-6-[5-fluoro-6-[1-(trifluoromethyl)cyclopropyl]oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyridine?
The IUPAC name of 3-[cyclopropylmethoxy(difluoro)methyl]-6-[5-fluoro-6-[1-(trifluoromethyl)cyclopropyl]oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyridine (CID 162614041) is 3-[cyclopropylmethoxy(difluoro)methyl]-6-[5-fluoro-6-[1-(trifluoromethyl)cyclopropyl]oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyridine.
What is the SMILES notation for 3-[cyclopropylmethoxy(difluoro)methyl]-6-[5-fluoro-6-[1-(trifluoromethyl)cyclopropyl]oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyridine?
The canonical SMILES for 3-[cyclopropylmethoxy(difluoro)methyl]-6-[5-fluoro-6-[1-(trifluoromethyl)cyclopropyl]oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyridine is Fc1cc(-c2ccc3nnc(C(F)(F)OCC4CC4)n3c2)cnc1OC1(C(F)(F)F)CC1.
What is the InChIKey of 3-[cyclopropylmethoxy(difluoro)methyl]-6-[5-fluoro-6-[1-(trifluoromethyl)cyclopropyl]oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyridine?
The InChIKey is VRFDMLSIQYWZKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16F6N4O2/c21-14-7-13(8-27-16(14)32-18(5-6-18)20(24,25)26)12-3-4-15-28-29-17(30(15)9-12)19(22,23)31-10-11-1-2-11/h3-4,7-9,11H,1-2,5-6,10H2.
What are the key properties of 3-[cyclopropylmethoxy(difluoro)methyl]-6-[5-fluoro-6-[1-(trifluoromethyl)cyclopropyl]oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyridine?
3-[cyclopropylmethoxy(difluoro)methyl]-6-[5-fluoro-6-[1-(trifluoromethyl)cyclopropyl]oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyridine has a molecular weight of 458.36 g/mol, XLogP of 4.88, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[cyclopropylmethoxy(difluoro)methyl]-6-[5-fluoro-6-[1-(trifluoromethyl)cyclopropyl]oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyridine is sourced from PubChem (CID 162614041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).