2-[4-[[8-(4-fluorophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]phenyl]acetonitrile

C20H18FN5 — CID 118717942

IUPAC2-[4-[[8-(4-fluorophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]phenyl]acetonitrile
SMILESN#CCc1ccc(Nc2nc3n(n2)CCCC3c2ccc(F)cc2)cc1
InChIInChI=1S/C20H18FN5/c21-16-7-5-15(6-8-16)18-2-1-13-26-19(18)24-20(25-26)23-17-9-3-14(4-10-17)11-12-22/h3-10,18H,1-2,11,13H2,(H,23,25)
InChIKeyUVUFHBHHORVNIB-UHFFFAOYSA-N
MW347.40 g/mol
LogP4.15
Rot. Bonds4

About 2-[4-[[8-(4-fluorophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]phenyl]acetonitrile

2-[4-[[8-(4-fluorophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]phenyl]acetonitrile (PubChem CID 118717942) has the molecular formula C20H18FN5 and a molecular weight of 347.40 g/mol. Its IUPAC name is 2-[4-[[8-(4-fluorophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]phenyl]acetonitrile.

Molecular Properties

Compound Name2-[4-[[8-(4-fluorophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]phenyl]acetonitrile
PubChem CID118717942
Molecular FormulaC20H18FN5
Molecular Weight347.40 g/mol
Exact Mass347.15
IUPAC Name2-[4-[[8-(4-fluorophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]phenyl]acetonitrile
SMILESN#CCc1ccc(Nc2nc3n(n2)CCCC3c2ccc(F)cc2)cc1
InChIInChI=1S/C20H18FN5/c21-16-7-5-15(6-8-16)18-2-1-13-26-19(18)24-20(25-26)23-17-9-3-14(4-10-17)11-12-22/h3-10,18H,1-2,11,13H2,(H,23,25)
InChIKeyUVUFHBHHORVNIB-UHFFFAOYSA-N
XLogP4.15
TPSA66.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.40
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[[8-(4-fluorophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]phenyl]acetonitrile?
The IUPAC name of 2-[4-[[8-(4-fluorophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]phenyl]acetonitrile (CID 118717942) is 2-[4-[[8-(4-fluorophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]phenyl]acetonitrile.
What is the SMILES notation for 2-[4-[[8-(4-fluorophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]phenyl]acetonitrile?
The canonical SMILES for 2-[4-[[8-(4-fluorophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]phenyl]acetonitrile is N#CCc1ccc(Nc2nc3n(n2)CCCC3c2ccc(F)cc2)cc1.
What is the InChIKey of 2-[4-[[8-(4-fluorophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]phenyl]acetonitrile?
The InChIKey is UVUFHBHHORVNIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18FN5/c21-16-7-5-15(6-8-16)18-2-1-13-26-19(18)24-20(25-26)23-17-9-3-14(4-10-17)11-12-22/h3-10,18H,1-2,11,13H2,(H,23,25).
What are the key properties of 2-[4-[[8-(4-fluorophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]phenyl]acetonitrile?
2-[4-[[8-(4-fluorophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]phenyl]acetonitrile has a molecular weight of 347.40 g/mol, XLogP of 4.15, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[8-(4-fluorophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]phenyl]acetonitrile is sourced from PubChem (CID 118717942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).