1-[2-(4-fluorophenyl)-2-hydroxyethyl]-3-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]urea

C17H18FN5O2 — CID 110895448

IUPAC1-[2-(4-fluorophenyl)-2-hydroxyethyl]-3-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]urea
SMILESCC(NC(=O)NCC(O)c1ccc(F)cc1)c1nnc2ccccn12
InChIInChI=1S/C17H18FN5O2/c1-11(16-22-21-15-4-2-3-9-23(15)16)20-17(25)19-10-14(24)12-5-7-13(18)8-6-12/h2-9,11,14,24H,10H2,1H3,(H2,19,20,25)
InChIKeyLFHZMLTXGZXCCV-UHFFFAOYSA-N
MW343.36 g/mol
LogP1.96
Rot. Bonds5

About 1-[2-(4-fluorophenyl)-2-hydroxyethyl]-3-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]urea

1-[2-(4-fluorophenyl)-2-hydroxyethyl]-3-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]urea (PubChem CID 110895448) has the molecular formula C17H18FN5O2 and a molecular weight of 343.36 g/mol. Its IUPAC name is 1-[2-(4-fluorophenyl)-2-hydroxyethyl]-3-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]urea.

Molecular Properties

Compound Name1-[2-(4-fluorophenyl)-2-hydroxyethyl]-3-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]urea
PubChem CID110895448
Molecular FormulaC17H18FN5O2
Molecular Weight343.36 g/mol
Exact Mass343.14
IUPAC Name1-[2-(4-fluorophenyl)-2-hydroxyethyl]-3-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]urea
SMILESCC(NC(=O)NCC(O)c1ccc(F)cc1)c1nnc2ccccn12
InChIInChI=1S/C17H18FN5O2/c1-11(16-22-21-15-4-2-3-9-23(15)16)20-17(25)19-10-14(24)12-5-7-13(18)8-6-12/h2-9,11,14,24H,10H2,1H3,(H2,19,20,25)
InChIKeyLFHZMLTXGZXCCV-UHFFFAOYSA-N
XLogP1.96
TPSA91.55 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.36
LogP ≤ 51.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 1-[2-(4-fluorophenyl)-2-hydroxyethyl]-3-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]urea with MolForge

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Related Compounds

1-(2-hydroxypentyl)-3-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]urea
CID 111337892
1-benzyl-3-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]urea
CID 47012876
1-[2-(4-fluorophenyl)-2-hydroxyethyl]-3-(1-phenylethyl)urea
CID 110893367
1-[(4-fluoro-3-methylphenyl)methyl]-3-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]urea
CID 42954367
1-(4-hydroxy-2,2-dimethylbutyl)-3-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]urea
CID 111504246
4-hydroxy-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]pentanamide
CID 79200415
2-amino-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]acetamide
CID 43703564
2,2,2-trifluoro-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]acetamide
CID 62492143
1-[2-(4-fluorophenyl)-2-hydroxyethyl]-3-(3-methylbutan-2-yl)urea
CID 110893315
2,2-diphenyl-N-[(1S)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]acetamide
CID 7692945
1-(2-hydroxy-4-methylpentyl)-3-[2-methyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]urea
CID 110922336
2-(methylamino)-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]propanamide
CID 55097089

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-fluorophenyl)-2-hydroxyethyl]-3-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]urea?
The IUPAC name of 1-[2-(4-fluorophenyl)-2-hydroxyethyl]-3-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]urea (CID 110895448) is 1-[2-(4-fluorophenyl)-2-hydroxyethyl]-3-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]urea.
What is the SMILES notation for 1-[2-(4-fluorophenyl)-2-hydroxyethyl]-3-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]urea?
The canonical SMILES for 1-[2-(4-fluorophenyl)-2-hydroxyethyl]-3-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]urea is CC(NC(=O)NCC(O)c1ccc(F)cc1)c1nnc2ccccn12.
What is the InChIKey of 1-[2-(4-fluorophenyl)-2-hydroxyethyl]-3-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]urea?
The InChIKey is LFHZMLTXGZXCCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FN5O2/c1-11(16-22-21-15-4-2-3-9-23(15)16)20-17(25)19-10-14(24)12-5-7-13(18)8-6-12/h2-9,11,14,24H,10H2,1H3,(H2,19,20,25).
What are the key properties of 1-[2-(4-fluorophenyl)-2-hydroxyethyl]-3-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]urea?
1-[2-(4-fluorophenyl)-2-hydroxyethyl]-3-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]urea has a molecular weight of 343.36 g/mol, XLogP of 1.96, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-fluorophenyl)-2-hydroxyethyl]-3-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]urea is sourced from PubChem (CID 110895448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).