2-oxo-N-[2,3,5,6-tetrafluoro-4-[3-(3-hydroxypropoxy)phenyl]phenyl]-1H-pyrazolo[1,5-a]pyridine-3-carboxamide

C23H17F4N3O4 — CID 163299002

IUPAC2-oxo-N-[2,3,5,6-tetrafluoro-4-[3-(3-hydroxypropoxy)phenyl]phenyl]-1H-pyrazolo[1,5-a]pyridine-3-carboxamide
SMILESO=C(Nc1c(F)c(F)c(-c2cccc(OCCCO)c2)c(F)c1F)c1c(=O)[nH]n2ccccc12
InChIInChI=1S/C23H17F4N3O4/c24-17-15(12-5-3-6-13(11-12)34-10-4-9-31)18(25)20(27)21(19(17)26)28-22(32)16-14-7-1-2-8-30(14)29-23(16)33/h1-3,5-8,11,31H,4,9-10H2,(H,28,32)(H,29,33)
InChIKeyFHFYMOZFGPQXHX-UHFFFAOYSA-N
MW475.40 g/mol
LogP3.86
Rot. Bonds7

About 2-oxo-N-[2,3,5,6-tetrafluoro-4-[3-(3-hydroxypropoxy)phenyl]phenyl]-1H-pyrazolo[1,5-a]pyridine-3-carboxamide

2-oxo-N-[2,3,5,6-tetrafluoro-4-[3-(3-hydroxypropoxy)phenyl]phenyl]-1H-pyrazolo[1,5-a]pyridine-3-carboxamide (PubChem CID 163299002) has the molecular formula C23H17F4N3O4 and a molecular weight of 475.40 g/mol. Its IUPAC name is 2-oxo-N-[2,3,5,6-tetrafluoro-4-[3-(3-hydroxypropoxy)phenyl]phenyl]-1H-pyrazolo[1,5-a]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-oxo-N-[2,3,5,6-tetrafluoro-4-[3-(3-hydroxypropoxy)phenyl]phenyl]-1H-pyrazolo[1,5-a]pyridine-3-carboxamide
PubChem CID163299002
Molecular FormulaC23H17F4N3O4
Molecular Weight475.40 g/mol
Exact Mass475.12
IUPAC Name2-oxo-N-[2,3,5,6-tetrafluoro-4-[3-(3-hydroxypropoxy)phenyl]phenyl]-1H-pyrazolo[1,5-a]pyridine-3-carboxamide
SMILESO=C(Nc1c(F)c(F)c(-c2cccc(OCCCO)c2)c(F)c1F)c1c(=O)[nH]n2ccccc12
InChIInChI=1S/C23H17F4N3O4/c24-17-15(12-5-3-6-13(11-12)34-10-4-9-31)18(25)20(27)21(19(17)26)28-22(32)16-14-7-1-2-8-30(14)29-23(16)33/h1-3,5-8,11,31H,4,9-10H2,(H,28,32)(H,29,33)
InChIKeyFHFYMOZFGPQXHX-UHFFFAOYSA-N
XLogP3.86
TPSA95.83 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.40
LogP ≤ 53.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-oxo-N-[2,3,5,6-tetrafluoro-4-[3-(3-hydroxypropoxy)phenyl]phenyl]-1H-pyrazolo[1,5-a]pyridine-3-carboxamide?
The IUPAC name of 2-oxo-N-[2,3,5,6-tetrafluoro-4-[3-(3-hydroxypropoxy)phenyl]phenyl]-1H-pyrazolo[1,5-a]pyridine-3-carboxamide (CID 163299002) is 2-oxo-N-[2,3,5,6-tetrafluoro-4-[3-(3-hydroxypropoxy)phenyl]phenyl]-1H-pyrazolo[1,5-a]pyridine-3-carboxamide.
What is the SMILES notation for 2-oxo-N-[2,3,5,6-tetrafluoro-4-[3-(3-hydroxypropoxy)phenyl]phenyl]-1H-pyrazolo[1,5-a]pyridine-3-carboxamide?
The canonical SMILES for 2-oxo-N-[2,3,5,6-tetrafluoro-4-[3-(3-hydroxypropoxy)phenyl]phenyl]-1H-pyrazolo[1,5-a]pyridine-3-carboxamide is O=C(Nc1c(F)c(F)c(-c2cccc(OCCCO)c2)c(F)c1F)c1c(=O)[nH]n2ccccc12.
What is the InChIKey of 2-oxo-N-[2,3,5,6-tetrafluoro-4-[3-(3-hydroxypropoxy)phenyl]phenyl]-1H-pyrazolo[1,5-a]pyridine-3-carboxamide?
The InChIKey is FHFYMOZFGPQXHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17F4N3O4/c24-17-15(12-5-3-6-13(11-12)34-10-4-9-31)18(25)20(27)21(19(17)26)28-22(32)16-14-7-1-2-8-30(14)29-23(16)33/h1-3,5-8,11,31H,4,9-10H2,(H,28,32)(H,29,33).
What are the key properties of 2-oxo-N-[2,3,5,6-tetrafluoro-4-[3-(3-hydroxypropoxy)phenyl]phenyl]-1H-pyrazolo[1,5-a]pyridine-3-carboxamide?
2-oxo-N-[2,3,5,6-tetrafluoro-4-[3-(3-hydroxypropoxy)phenyl]phenyl]-1H-pyrazolo[1,5-a]pyridine-3-carboxamide has a molecular weight of 475.40 g/mol, XLogP of 3.86, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-N-[2,3,5,6-tetrafluoro-4-[3-(3-hydroxypropoxy)phenyl]phenyl]-1H-pyrazolo[1,5-a]pyridine-3-carboxamide is sourced from PubChem (CID 163299002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).