N-[5-[4-[[6-(trifluoromethyl)-3-pyridinyl]methoxy]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide

C23H18F3N5O2 — CID 58374600

IUPACN-[5-[4-[[6-(trifluoromethyl)-3-pyridinyl]methoxy]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide
SMILESO=C(Nc1nc2cccc(-c3ccc(OCc4ccc(C(F)(F)F)nc4)cc3)n2n1)C1CC1
InChIInChI=1S/C23H18F3N5O2/c24-23(25,26)19-11-4-14(12-27-19)13-33-17-9-7-15(8-10-17)18-2-1-3-20-28-22(30-31(18)20)29-21(32)16-5-6-16/h1-4,7-12,16H,5-6,13H2,(H,29,30,32)
InChIKeyFYJPOQOVYGBXPI-UHFFFAOYSA-N
MW453.42 g/mol
LogP4.74
Rot. Bonds6

About N-[5-[4-[[6-(trifluoromethyl)-3-pyridinyl]methoxy]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide

N-[5-[4-[[6-(trifluoromethyl)-3-pyridinyl]methoxy]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide (PubChem CID 58374600) has the molecular formula C23H18F3N5O2 and a molecular weight of 453.42 g/mol. Its IUPAC name is N-[5-[4-[[6-(trifluoromethyl)-3-pyridinyl]methoxy]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[5-[4-[[6-(trifluoromethyl)-3-pyridinyl]methoxy]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide
PubChem CID58374600
Molecular FormulaC23H18F3N5O2
Molecular Weight453.42 g/mol
Exact Mass453.14
IUPAC NameN-[5-[4-[[6-(trifluoromethyl)-3-pyridinyl]methoxy]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide
SMILESO=C(Nc1nc2cccc(-c3ccc(OCc4ccc(C(F)(F)F)nc4)cc3)n2n1)C1CC1
InChIInChI=1S/C23H18F3N5O2/c24-23(25,26)19-11-4-14(12-27-19)13-33-17-9-7-15(8-10-17)18-2-1-3-20-28-22(30-31(18)20)29-21(32)16-5-6-16/h1-4,7-12,16H,5-6,13H2,(H,29,30,32)
InChIKeyFYJPOQOVYGBXPI-UHFFFAOYSA-N
XLogP4.74
TPSA81.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.42
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[5-[4-[[6-(trifluoromethyl)-3-pyridinyl]methoxy]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide?
The IUPAC name of N-[5-[4-[[6-(trifluoromethyl)-3-pyridinyl]methoxy]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide (CID 58374600) is N-[5-[4-[[6-(trifluoromethyl)-3-pyridinyl]methoxy]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[5-[4-[[6-(trifluoromethyl)-3-pyridinyl]methoxy]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[5-[4-[[6-(trifluoromethyl)-3-pyridinyl]methoxy]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide is O=C(Nc1nc2cccc(-c3ccc(OCc4ccc(C(F)(F)F)nc4)cc3)n2n1)C1CC1.
What is the InChIKey of N-[5-[4-[[6-(trifluoromethyl)-3-pyridinyl]methoxy]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide?
The InChIKey is FYJPOQOVYGBXPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18F3N5O2/c24-23(25,26)19-11-4-14(12-27-19)13-33-17-9-7-15(8-10-17)18-2-1-3-20-28-22(30-31(18)20)29-21(32)16-5-6-16/h1-4,7-12,16H,5-6,13H2,(H,29,30,32).
What are the key properties of N-[5-[4-[[6-(trifluoromethyl)-3-pyridinyl]methoxy]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide?
N-[5-[4-[[6-(trifluoromethyl)-3-pyridinyl]methoxy]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide has a molecular weight of 453.42 g/mol, XLogP of 4.74, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[4-[[6-(trifluoromethyl)-3-pyridinyl]methoxy]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide is sourced from PubChem (CID 58374600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).