2-[2-fluoro-4-[2-oxo-2-[(7-phenylmethoxy-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]ethyl]phenoxy]pyridine-3-carboxamide

C27H21FN6O4 — CID 137408510

IUPAC2-[2-fluoro-4-[2-oxo-2-[(7-phenylmethoxy-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]ethyl]phenoxy]pyridine-3-carboxamide
SMILESNC(=O)c1cccnc1Oc1ccc(CC(=O)Nc2nc3cc(OCc4ccccc4)ccn3n2)cc1F
InChIInChI=1S/C27H21FN6O4/c28-21-13-18(8-9-22(21)38-26-20(25(29)36)7-4-11-30-26)14-24(35)32-27-31-23-15-19(10-12-34(23)33-27)37-16-17-5-2-1-3-6-17/h1-13,15H,14,16H2,(H2,29,36)(H,32,33,35)
InChIKeyWUJQSIODAAFXTL-UHFFFAOYSA-N
MW512.50 g/mol
LogP3.91
Rot. Bonds9

About 2-[2-fluoro-4-[2-oxo-2-[(7-phenylmethoxy-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]ethyl]phenoxy]pyridine-3-carboxamide

2-[2-fluoro-4-[2-oxo-2-[(7-phenylmethoxy-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]ethyl]phenoxy]pyridine-3-carboxamide (PubChem CID 137408510) has the molecular formula C27H21FN6O4 and a molecular weight of 512.50 g/mol. Its IUPAC name is 2-[2-fluoro-4-[2-oxo-2-[(7-phenylmethoxy-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]ethyl]phenoxy]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-[2-fluoro-4-[2-oxo-2-[(7-phenylmethoxy-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]ethyl]phenoxy]pyridine-3-carboxamide
PubChem CID137408510
Molecular FormulaC27H21FN6O4
Molecular Weight512.50 g/mol
Exact Mass512.16
IUPAC Name2-[2-fluoro-4-[2-oxo-2-[(7-phenylmethoxy-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]ethyl]phenoxy]pyridine-3-carboxamide
SMILESNC(=O)c1cccnc1Oc1ccc(CC(=O)Nc2nc3cc(OCc4ccccc4)ccn3n2)cc1F
InChIInChI=1S/C27H21FN6O4/c28-21-13-18(8-9-22(21)38-26-20(25(29)36)7-4-11-30-26)14-24(35)32-27-31-23-15-19(10-12-34(23)33-27)37-16-17-5-2-1-3-6-17/h1-13,15H,14,16H2,(H2,29,36)(H,32,33,35)
InChIKeyWUJQSIODAAFXTL-UHFFFAOYSA-N
XLogP3.91
TPSA133.73 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500512.50
LogP ≤ 53.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-[2-fluoro-4-[2-oxo-2-[(7-phenylmethoxy-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]ethyl]phenoxy]pyridine-3-carboxamide?
The IUPAC name of 2-[2-fluoro-4-[2-oxo-2-[(7-phenylmethoxy-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]ethyl]phenoxy]pyridine-3-carboxamide (CID 137408510) is 2-[2-fluoro-4-[2-oxo-2-[(7-phenylmethoxy-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]ethyl]phenoxy]pyridine-3-carboxamide.
What is the SMILES notation for 2-[2-fluoro-4-[2-oxo-2-[(7-phenylmethoxy-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]ethyl]phenoxy]pyridine-3-carboxamide?
The canonical SMILES for 2-[2-fluoro-4-[2-oxo-2-[(7-phenylmethoxy-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]ethyl]phenoxy]pyridine-3-carboxamide is NC(=O)c1cccnc1Oc1ccc(CC(=O)Nc2nc3cc(OCc4ccccc4)ccn3n2)cc1F.
What is the InChIKey of 2-[2-fluoro-4-[2-oxo-2-[(7-phenylmethoxy-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]ethyl]phenoxy]pyridine-3-carboxamide?
The InChIKey is WUJQSIODAAFXTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H21FN6O4/c28-21-13-18(8-9-22(21)38-26-20(25(29)36)7-4-11-30-26)14-24(35)32-27-31-23-15-19(10-12-34(23)33-27)37-16-17-5-2-1-3-6-17/h1-13,15H,14,16H2,(H2,29,36)(H,32,33,35).
What are the key properties of 2-[2-fluoro-4-[2-oxo-2-[(7-phenylmethoxy-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]ethyl]phenoxy]pyridine-3-carboxamide?
2-[2-fluoro-4-[2-oxo-2-[(7-phenylmethoxy-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]ethyl]phenoxy]pyridine-3-carboxamide has a molecular weight of 512.50 g/mol, XLogP of 3.91, 9 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-fluoro-4-[2-oxo-2-[(7-phenylmethoxy-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]ethyl]phenoxy]pyridine-3-carboxamide is sourced from PubChem (CID 137408510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).