4-(4-fluorophenyl)-N-[[6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-1H-pyrrole-2-carboxamide

C19H17F4N5O — CID 119104825

IUPAC4-(4-fluorophenyl)-N-[[6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-1H-pyrrole-2-carboxamide
SMILESO=C(NCc1nnc2n1CC(C(F)(F)F)CC2)c1cc(-c2ccc(F)cc2)c[nH]1
InChIInChI=1S/C19H17F4N5O/c20-14-4-1-11(2-5-14)12-7-15(24-8-12)18(29)25-9-17-27-26-16-6-3-13(10-28(16)17)19(21,22)23/h1-2,4-5,7-8,13,24H,3,6,9-10H2,(H,25,29)
InChIKeyYLNBOIZQGOXDDX-UHFFFAOYSA-N
MW407.37 g/mol
LogP3.47
Rot. Bonds4

About 4-(4-fluorophenyl)-N-[[6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-1H-pyrrole-2-carboxamide

4-(4-fluorophenyl)-N-[[6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-1H-pyrrole-2-carboxamide (PubChem CID 119104825) has the molecular formula C19H17F4N5O and a molecular weight of 407.37 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-N-[[6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-(4-fluorophenyl)-N-[[6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-1H-pyrrole-2-carboxamide
PubChem CID119104825
Molecular FormulaC19H17F4N5O
Molecular Weight407.37 g/mol
Exact Mass407.14
IUPAC Name4-(4-fluorophenyl)-N-[[6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-1H-pyrrole-2-carboxamide
SMILESO=C(NCc1nnc2n1CC(C(F)(F)F)CC2)c1cc(-c2ccc(F)cc2)c[nH]1
InChIInChI=1S/C19H17F4N5O/c20-14-4-1-11(2-5-14)12-7-15(24-8-12)18(29)25-9-17-27-26-16-6-3-13(10-28(16)17)19(21,22)23/h1-2,4-5,7-8,13,24H,3,6,9-10H2,(H,25,29)
InChIKeyYLNBOIZQGOXDDX-UHFFFAOYSA-N
XLogP3.47
TPSA75.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.37
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-(4-fluorophenyl)-N-[[6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-1H-pyrrole-2-carboxamide with MolForge

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Related Compounds

5-methyl-N-[[(6S)-6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-1H-pyrazole-3-carboxamide
CID 129353221
5-methyl-N-[[(6S)-6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]thiophene-2-carboxamide
CID 129353225
N-[[(6R)-6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]cyclopentanecarboxamide
CID 129353183
2-(2-fluorophenoxy)-N-[[6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]acetamide
CID 121022000
7-methoxy-N-[[6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-1-benzofuran-2-carboxamide
CID 119104814
2-(6-oxopyridazin-1-yl)-N-[[6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]acetamide
CID 121022006
2-(2-oxo-1,3-oxazolidin-3-yl)-N-[[6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]acetamide
CID 119104829
1-cyano-N-[[6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]cyclobutane-1-carboxamide
CID 136516050
4-(4-fluorophenyl)-N-[[5-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]-1H-pyrrole-2-carboxamide
CID 121196309
4-[(1S)-1-[[(6S)-6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methylamino]ethyl]benzonitrile
CID 96511992
4-(4-fluorophenyl)-N-[[(3R)-1-(1,3-thiazol-2-yl)piperidin-3-yl]methyl]-1H-pyrrole-2-carboxamide
CID 99875755
4-(4-fluorophenyl)-N-[[(3S)-1-(1,3-thiazol-2-yl)piperidin-3-yl]methyl]-1H-pyrrole-2-carboxamide
CID 99875754

Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)-N-[[6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-1H-pyrrole-2-carboxamide?
The IUPAC name of 4-(4-fluorophenyl)-N-[[6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-1H-pyrrole-2-carboxamide (CID 119104825) is 4-(4-fluorophenyl)-N-[[6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-1H-pyrrole-2-carboxamide.
What is the SMILES notation for 4-(4-fluorophenyl)-N-[[6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-1H-pyrrole-2-carboxamide?
The canonical SMILES for 4-(4-fluorophenyl)-N-[[6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-1H-pyrrole-2-carboxamide is O=C(NCc1nnc2n1CC(C(F)(F)F)CC2)c1cc(-c2ccc(F)cc2)c[nH]1.
What is the InChIKey of 4-(4-fluorophenyl)-N-[[6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-1H-pyrrole-2-carboxamide?
The InChIKey is YLNBOIZQGOXDDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F4N5O/c20-14-4-1-11(2-5-14)12-7-15(24-8-12)18(29)25-9-17-27-26-16-6-3-13(10-28(16)17)19(21,22)23/h1-2,4-5,7-8,13,24H,3,6,9-10H2,(H,25,29).
What are the key properties of 4-(4-fluorophenyl)-N-[[6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-1H-pyrrole-2-carboxamide?
4-(4-fluorophenyl)-N-[[6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-1H-pyrrole-2-carboxamide has a molecular weight of 407.37 g/mol, XLogP of 3.47, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-N-[[6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 119104825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).