4-pyrrol-1-yl-N-[[8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]benzamide

C19H14F3N5O — CID 91632817

IUPAC4-pyrrol-1-yl-N-[[8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]benzamide
SMILESO=C(NCc1nnc2c(C(F)(F)F)cccn12)c1ccc(-n2cccc2)cc1
InChIInChI=1S/C19H14F3N5O/c20-19(21,22)15-4-3-11-27-16(24-25-17(15)27)12-23-18(28)13-5-7-14(8-6-13)26-9-1-2-10-26/h1-11H,12H2,(H,23,28)
InChIKeyZPGSYUBDCFITMX-UHFFFAOYSA-N
MW385.35 g/mol
LogP3.47
Rot. Bonds4

About 4-pyrrol-1-yl-N-[[8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]benzamide

4-pyrrol-1-yl-N-[[8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]benzamide (PubChem CID 91632817) has the molecular formula C19H14F3N5O and a molecular weight of 385.35 g/mol. Its IUPAC name is 4-pyrrol-1-yl-N-[[8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]benzamide.

Molecular Properties

Compound Name4-pyrrol-1-yl-N-[[8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]benzamide
PubChem CID91632817
Molecular FormulaC19H14F3N5O
Molecular Weight385.35 g/mol
Exact Mass385.12
IUPAC Name4-pyrrol-1-yl-N-[[8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]benzamide
SMILESO=C(NCc1nnc2c(C(F)(F)F)cccn12)c1ccc(-n2cccc2)cc1
InChIInChI=1S/C19H14F3N5O/c20-19(21,22)15-4-3-11-27-16(24-25-17(15)27)12-23-18(28)13-5-7-14(8-6-13)26-9-1-2-10-26/h1-11H,12H2,(H,23,28)
InChIKeyZPGSYUBDCFITMX-UHFFFAOYSA-N
XLogP3.47
TPSA64.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.35
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-oxo-N-[[8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-1H-pyridine-3-carboxamide
CID 91632818
N-[[8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-2,1,3-benzothiadiazole-5-carboxamide
CID 91632835
3-(tetrazol-1-yl)-N-[[8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]benzamide
CID 91819084
5-(furan-2-yl)-N-[[8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-1,2-oxazole-3-carboxamide
CID 91632820
4-pyrrol-1-yl-N-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]benzamide
CID 55493467
N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)benzamide
CID 9020998
4-amino-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)benzamide
CID 61274777
N-[[2-(methoxymethyl)phenyl]methyl]-4-pyrrol-1-ylbenzamide
CID 32603825
4-pyrrol-1-yl-N-[[4-[(2,2,2-trifluoroacetyl)amino]phenyl]methyl]benzamide
CID 108933756
N-[[4-(4-fluorophenyl)-5-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]sulfanyl-1,2,4-triazol-3-yl]methyl]benzamide
CID 44910713
N-[[4-(methoxymethyl)phenyl]methyl]-4-pyrrol-1-ylbenzamide
CID 46448239
N-[[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]benzamide
CID 18100245

Frequently Asked Questions

What is the IUPAC name of 4-pyrrol-1-yl-N-[[8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]benzamide?
The IUPAC name of 4-pyrrol-1-yl-N-[[8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]benzamide (CID 91632817) is 4-pyrrol-1-yl-N-[[8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]benzamide.
What is the SMILES notation for 4-pyrrol-1-yl-N-[[8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]benzamide?
The canonical SMILES for 4-pyrrol-1-yl-N-[[8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]benzamide is O=C(NCc1nnc2c(C(F)(F)F)cccn12)c1ccc(-n2cccc2)cc1.
What is the InChIKey of 4-pyrrol-1-yl-N-[[8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]benzamide?
The InChIKey is ZPGSYUBDCFITMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14F3N5O/c20-19(21,22)15-4-3-11-27-16(24-25-17(15)27)12-23-18(28)13-5-7-14(8-6-13)26-9-1-2-10-26/h1-11H,12H2,(H,23,28).
What are the key properties of 4-pyrrol-1-yl-N-[[8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]benzamide?
4-pyrrol-1-yl-N-[[8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]benzamide has a molecular weight of 385.35 g/mol, XLogP of 3.47, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-pyrrol-1-yl-N-[[8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]benzamide is sourced from PubChem (CID 91632817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).