1-[2-fluoro-4-[[5-[(4-hydroxycyclohexyl)methyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]phenyl]ethanone

C21H23FN4O2 — CID 68586936

IUPAC1-[2-fluoro-4-[[5-[(4-hydroxycyclohexyl)methyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]phenyl]ethanone
SMILESCC(=O)c1ccc(Nc2nc3cccc(CC4CCC(O)CC4)n3n2)cc1F
InChIInChI=1S/C21H23FN4O2/c1-13(27)18-10-7-15(12-19(18)22)23-21-24-20-4-2-3-16(26(20)25-21)11-14-5-8-17(28)9-6-14/h2-4,7,10,12,14,17,28H,5-6,8-9,11H2,1H3,(H,23,25)
InChIKeyGTPUDHOOZGJNRT-UHFFFAOYSA-N
MW382.44 g/mol
LogP3.91
Rot. Bonds5

About 1-[2-fluoro-4-[[5-[(4-hydroxycyclohexyl)methyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]phenyl]ethanone

1-[2-fluoro-4-[[5-[(4-hydroxycyclohexyl)methyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]phenyl]ethanone (PubChem CID 68586936) has the molecular formula C21H23FN4O2 and a molecular weight of 382.44 g/mol. Its IUPAC name is 1-[2-fluoro-4-[[5-[(4-hydroxycyclohexyl)methyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]phenyl]ethanone.

Molecular Properties

Compound Name1-[2-fluoro-4-[[5-[(4-hydroxycyclohexyl)methyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]phenyl]ethanone
PubChem CID68586936
Molecular FormulaC21H23FN4O2
Molecular Weight382.44 g/mol
Exact Mass382.18
IUPAC Name1-[2-fluoro-4-[[5-[(4-hydroxycyclohexyl)methyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]phenyl]ethanone
SMILESCC(=O)c1ccc(Nc2nc3cccc(CC4CCC(O)CC4)n3n2)cc1F
InChIInChI=1S/C21H23FN4O2/c1-13(27)18-10-7-15(12-19(18)22)23-21-24-20-4-2-3-16(26(20)25-21)11-14-5-8-17(28)9-6-14/h2-4,7,10,12,14,17,28H,5-6,8-9,11H2,1H3,(H,23,25)
InChIKeyGTPUDHOOZGJNRT-UHFFFAOYSA-N
XLogP3.91
TPSA79.52 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.44
LogP ≤ 53.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[2-fluoro-4-[[5-[(4-hydroxycyclohexyl)methyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]phenyl]ethanone?
The IUPAC name of 1-[2-fluoro-4-[[5-[(4-hydroxycyclohexyl)methyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]phenyl]ethanone (CID 68586936) is 1-[2-fluoro-4-[[5-[(4-hydroxycyclohexyl)methyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]phenyl]ethanone.
What is the SMILES notation for 1-[2-fluoro-4-[[5-[(4-hydroxycyclohexyl)methyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]phenyl]ethanone?
The canonical SMILES for 1-[2-fluoro-4-[[5-[(4-hydroxycyclohexyl)methyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]phenyl]ethanone is CC(=O)c1ccc(Nc2nc3cccc(CC4CCC(O)CC4)n3n2)cc1F.
What is the InChIKey of 1-[2-fluoro-4-[[5-[(4-hydroxycyclohexyl)methyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]phenyl]ethanone?
The InChIKey is GTPUDHOOZGJNRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23FN4O2/c1-13(27)18-10-7-15(12-19(18)22)23-21-24-20-4-2-3-16(26(20)25-21)11-14-5-8-17(28)9-6-14/h2-4,7,10,12,14,17,28H,5-6,8-9,11H2,1H3,(H,23,25).
What are the key properties of 1-[2-fluoro-4-[[5-[(4-hydroxycyclohexyl)methyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]phenyl]ethanone?
1-[2-fluoro-4-[[5-[(4-hydroxycyclohexyl)methyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]phenyl]ethanone has a molecular weight of 382.44 g/mol, XLogP of 3.91, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-fluoro-4-[[5-[(4-hydroxycyclohexyl)methyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]phenyl]ethanone is sourced from PubChem (CID 68586936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).