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

C23H15F4N3O4 — CID 163299005

IUPAC2-oxo-N-[2,3,5,6-tetrafluoro-4-[3-(2-oxopropoxy)phenyl]phenyl]-1H-pyrazolo[1,5-a]pyridine-3-carboxamide
SMILESCC(=O)COc1cccc(-c2c(F)c(F)c(NC(=O)c3c(=O)[nH]n4ccccc34)c(F)c2F)c1
InChIInChI=1S/C23H15F4N3O4/c1-11(31)10-34-13-6-4-5-12(9-13)15-17(24)19(26)21(20(27)18(15)25)28-22(32)16-14-7-2-3-8-30(14)29-23(16)33/h2-9H,10H2,1H3,(H,28,32)(H,29,33)
InChIKeyVQNBLXDFQKKIQX-UHFFFAOYSA-N
MW473.38 g/mol
LogP4.07
Rot. Bonds6

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

2-oxo-N-[2,3,5,6-tetrafluoro-4-[3-(2-oxopropoxy)phenyl]phenyl]-1H-pyrazolo[1,5-a]pyridine-3-carboxamide (PubChem CID 163299005) has the molecular formula C23H15F4N3O4 and a molecular weight of 473.38 g/mol. Its IUPAC name is 2-oxo-N-[2,3,5,6-tetrafluoro-4-[3-(2-oxopropoxy)phenyl]phenyl]-1H-pyrazolo[1,5-a]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-oxo-N-[2,3,5,6-tetrafluoro-4-[3-(2-oxopropoxy)phenyl]phenyl]-1H-pyrazolo[1,5-a]pyridine-3-carboxamide
PubChem CID163299005
Molecular FormulaC23H15F4N3O4
Molecular Weight473.38 g/mol
Exact Mass473.10
IUPAC Name2-oxo-N-[2,3,5,6-tetrafluoro-4-[3-(2-oxopropoxy)phenyl]phenyl]-1H-pyrazolo[1,5-a]pyridine-3-carboxamide
SMILESCC(=O)COc1cccc(-c2c(F)c(F)c(NC(=O)c3c(=O)[nH]n4ccccc34)c(F)c2F)c1
InChIInChI=1S/C23H15F4N3O4/c1-11(31)10-34-13-6-4-5-12(9-13)15-17(24)19(26)21(20(27)18(15)25)28-22(32)16-14-7-2-3-8-30(14)29-23(16)33/h2-9H,10H2,1H3,(H,28,32)(H,29,33)
InChIKeyVQNBLXDFQKKIQX-UHFFFAOYSA-N
XLogP4.07
TPSA92.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.38
LogP ≤ 54.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'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-(2-oxopropoxy)phenyl]phenyl]-1H-pyrazolo[1,5-a]pyridine-3-carboxamide?
The IUPAC name of 2-oxo-N-[2,3,5,6-tetrafluoro-4-[3-(2-oxopropoxy)phenyl]phenyl]-1H-pyrazolo[1,5-a]pyridine-3-carboxamide (CID 163299005) is 2-oxo-N-[2,3,5,6-tetrafluoro-4-[3-(2-oxopropoxy)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-(2-oxopropoxy)phenyl]phenyl]-1H-pyrazolo[1,5-a]pyridine-3-carboxamide?
The canonical SMILES for 2-oxo-N-[2,3,5,6-tetrafluoro-4-[3-(2-oxopropoxy)phenyl]phenyl]-1H-pyrazolo[1,5-a]pyridine-3-carboxamide is CC(=O)COc1cccc(-c2c(F)c(F)c(NC(=O)c3c(=O)[nH]n4ccccc34)c(F)c2F)c1.
What is the InChIKey of 2-oxo-N-[2,3,5,6-tetrafluoro-4-[3-(2-oxopropoxy)phenyl]phenyl]-1H-pyrazolo[1,5-a]pyridine-3-carboxamide?
The InChIKey is VQNBLXDFQKKIQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H15F4N3O4/c1-11(31)10-34-13-6-4-5-12(9-13)15-17(24)19(26)21(20(27)18(15)25)28-22(32)16-14-7-2-3-8-30(14)29-23(16)33/h2-9H,10H2,1H3,(H,28,32)(H,29,33).
What are the key properties of 2-oxo-N-[2,3,5,6-tetrafluoro-4-[3-(2-oxopropoxy)phenyl]phenyl]-1H-pyrazolo[1,5-a]pyridine-3-carboxamide?
2-oxo-N-[2,3,5,6-tetrafluoro-4-[3-(2-oxopropoxy)phenyl]phenyl]-1H-pyrazolo[1,5-a]pyridine-3-carboxamide has a molecular weight of 473.38 g/mol, XLogP of 4.07, 6 rotatable bonds, 2 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-(2-oxopropoxy)phenyl]phenyl]-1H-pyrazolo[1,5-a]pyridine-3-carboxamide is sourced from PubChem (CID 163299005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).