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

C19H15F3N8O — CID 58374848

IUPACN-[5-[1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]triazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide
SMILESO=C(Nc1nc2cccc(-c3cn(Cc4ccc(C(F)(F)F)nc4)nn3)n2n1)C1CC1
InChIInChI=1S/C19H15F3N8O/c20-19(21,22)15-7-4-11(8-23-15)9-29-10-13(26-28-29)14-2-1-3-16-24-18(27-30(14)16)25-17(31)12-5-6-12/h1-4,7-8,10,12H,5-6,9H2,(H,25,27,31)
InChIKeyZCUJJWGCVSRFEB-UHFFFAOYSA-N
MW428.38 g/mol
LogP2.80
Rot. Bonds5

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

N-[5-[1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]triazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide (PubChem CID 58374848) has the molecular formula C19H15F3N8O and a molecular weight of 428.38 g/mol. Its IUPAC name is N-[5-[1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]triazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[5-[1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]triazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide
PubChem CID58374848
Molecular FormulaC19H15F3N8O
Molecular Weight428.38 g/mol
Exact Mass428.13
IUPAC NameN-[5-[1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]triazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide
SMILESO=C(Nc1nc2cccc(-c3cn(Cc4ccc(C(F)(F)F)nc4)nn3)n2n1)C1CC1
InChIInChI=1S/C19H15F3N8O/c20-19(21,22)15-7-4-11(8-23-15)9-29-10-13(26-28-29)14-2-1-3-16-24-18(27-30(14)16)25-17(31)12-5-6-12/h1-4,7-8,10,12H,5-6,9H2,(H,25,27,31)
InChIKeyZCUJJWGCVSRFEB-UHFFFAOYSA-N
XLogP2.80
TPSA102.89 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.38
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-[5-[1-(pyridin-2-ylmethyl)triazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide
CID 44625211
N-[5-[4-(piperidin-1-ylmethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide
CID 58374651
N-[5-[4-[[2-fluoro-5-(trifluoromethyl)anilino]methyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide
CID 58374735
N-[5-[4-[[3-(dimethylamino)azetidin-1-yl]methyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide
CID 67331476
N-(5-phenyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)cyclopropanecarboxamide
CID 24798484
N-[5-[4-(aminomethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide;cyclopropanecarboxylic acid
CID 172863039
N-[5-[4-[2-(azetidin-1-yl)-2-oxoethyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide
CID 67330143
N-[5-[4-[[3-(ethylamino)azetidin-1-yl]methyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide
CID 138702520
N-[5-[4-[[3-[acetyl(methyl)amino]pyrrolidin-1-yl]methyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide
CID 58374654
ethane;molecular hydrogen;N-[5-(1-propylpyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide
CID 143788027
N-[5-(1H-pyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide
CID 135894059
N-[5-[4-[(3-butylazetidin-1-yl)methyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide
CID 138702521

Frequently Asked Questions

What is the IUPAC name of N-[5-[1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]triazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide?
The IUPAC name of N-[5-[1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]triazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide (CID 58374848) is N-[5-[1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]triazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[5-[1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]triazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[5-[1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]triazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide is O=C(Nc1nc2cccc(-c3cn(Cc4ccc(C(F)(F)F)nc4)nn3)n2n1)C1CC1.
What is the InChIKey of N-[5-[1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]triazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide?
The InChIKey is ZCUJJWGCVSRFEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15F3N8O/c20-19(21,22)15-7-4-11(8-23-15)9-29-10-13(26-28-29)14-2-1-3-16-24-18(27-30(14)16)25-17(31)12-5-6-12/h1-4,7-8,10,12H,5-6,9H2,(H,25,27,31).
What are the key properties of N-[5-[1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]triazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide?
N-[5-[1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]triazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide has a molecular weight of 428.38 g/mol, XLogP of 2.80, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]triazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide is sourced from PubChem (CID 58374848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).