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

C23H17F4N3O3 — CID 163299027

IUPAC2-oxo-N-[2,3,5,6-tetrafluoro-4-(3-propoxyphenyl)phenyl]-1H-pyrazolo[1,5-a]pyridine-3-carboxamide
SMILESCCCOc1cccc(-c2c(F)c(F)c(NC(=O)c3c(=O)[nH]n4ccccc34)c(F)c2F)c1
InChIInChI=1S/C23H17F4N3O3/c1-2-10-33-13-7-5-6-12(11-13)15-17(24)19(26)21(20(27)18(15)25)28-22(31)16-14-8-3-4-9-30(14)29-23(16)32/h3-9,11H,2,10H2,1H3,(H,28,31)(H,29,32)
InChIKeyDKJFAVPFVZTZGV-UHFFFAOYSA-N
MW459.40 g/mol
LogP4.89
Rot. Bonds6

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

2-oxo-N-[2,3,5,6-tetrafluoro-4-(3-propoxyphenyl)phenyl]-1H-pyrazolo[1,5-a]pyridine-3-carboxamide (PubChem CID 163299027) has the molecular formula C23H17F4N3O3 and a molecular weight of 459.40 g/mol. Its IUPAC name is 2-oxo-N-[2,3,5,6-tetrafluoro-4-(3-propoxyphenyl)phenyl]-1H-pyrazolo[1,5-a]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-oxo-N-[2,3,5,6-tetrafluoro-4-(3-propoxyphenyl)phenyl]-1H-pyrazolo[1,5-a]pyridine-3-carboxamide
PubChem CID163299027
Molecular FormulaC23H17F4N3O3
Molecular Weight459.40 g/mol
Exact Mass459.12
IUPAC Name2-oxo-N-[2,3,5,6-tetrafluoro-4-(3-propoxyphenyl)phenyl]-1H-pyrazolo[1,5-a]pyridine-3-carboxamide
SMILESCCCOc1cccc(-c2c(F)c(F)c(NC(=O)c3c(=O)[nH]n4ccccc34)c(F)c2F)c1
InChIInChI=1S/C23H17F4N3O3/c1-2-10-33-13-7-5-6-12(11-13)15-17(24)19(26)21(20(27)18(15)25)28-22(31)16-14-8-3-4-9-30(14)29-23(16)32/h3-9,11H,2,10H2,1H3,(H,28,31)(H,29,32)
InChIKeyDKJFAVPFVZTZGV-UHFFFAOYSA-N
XLogP4.89
TPSA75.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.40
LogP ≤ 54.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(4E)-4-[[3-[(3-methylphenyl)methoxy]phenyl]methylidene]-1-phenylpyrazolidine-3,5-dione
CID 989521
hDHODH-IN-11
CID 146269042
N-(3-methyl-4-phenoxyphenyl)-2-oxo-1H-pyrazolo[1,5-a]pyridine-3-carboxamide
CID 145954585
N-(2,5-dimethyl-4-phenoxyphenyl)-2-oxo-1H-pyrazolo[1,5-a]pyridine-3-carboxamide
CID 145954937
N-(2-methyl-4-phenoxy-5-propan-2-ylphenyl)-2-oxo-1H-pyrazolo[1,5-a]pyridine-3-carboxamide
CID 163298989
N-[5-methyl-2-propan-2-yl-4-[4-(trifluoromethyl)phenoxy]phenyl]-2-oxo-1H-pyrazolo[1,5-a]pyridine-3-carboxamide
CID 163299001
2-oxo-N-[2,3,5,6-tetrafluoro-4-(3-hydroxyphenyl)phenyl]-1H-pyrazolo[1,5-a]pyridine-3-carboxamide
CID 163299014
N-(2-methyl-4-phenoxyphenyl)-2-oxo-1H-pyrazolo[1,5-a]pyridine-3-carboxamide
CID 163299028
2-oxo-N-[2,3,5,6-tetrafluoro-4-(3-methoxyphenyl)phenyl]-1H-pyrazolo[1,5-a]pyridine-3-carboxamide
CID 166634186
2-oxo-N-[2,3,5,6-tetrafluoro-4-[3-(trifluoromethoxy)phenyl]phenyl]-1H-pyrazolo[1,5-a]pyridine-3-carboxamide
CID 166635404
N-[4-[3-(2,2-difluoropropoxy)phenyl]-2,3,5,6-tetrafluorophenyl]-2-oxo-1H-pyrazolo[1,5-a]pyridine-3-carboxamide
CID 163299017
(4Z)-1-(4-fluorophenyl)-4-[[3-[(2-fluorophenyl)methoxy]phenyl]methylidene]pyrazolidine-3,5-dione
CID 1018252

Frequently Asked Questions

What is the IUPAC name of 2-oxo-N-[2,3,5,6-tetrafluoro-4-(3-propoxyphenyl)phenyl]-1H-pyrazolo[1,5-a]pyridine-3-carboxamide?
The IUPAC name of 2-oxo-N-[2,3,5,6-tetrafluoro-4-(3-propoxyphenyl)phenyl]-1H-pyrazolo[1,5-a]pyridine-3-carboxamide (CID 163299027) is 2-oxo-N-[2,3,5,6-tetrafluoro-4-(3-propoxyphenyl)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-propoxyphenyl)phenyl]-1H-pyrazolo[1,5-a]pyridine-3-carboxamide?
The canonical SMILES for 2-oxo-N-[2,3,5,6-tetrafluoro-4-(3-propoxyphenyl)phenyl]-1H-pyrazolo[1,5-a]pyridine-3-carboxamide is CCCOc1cccc(-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-propoxyphenyl)phenyl]-1H-pyrazolo[1,5-a]pyridine-3-carboxamide?
The InChIKey is DKJFAVPFVZTZGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17F4N3O3/c1-2-10-33-13-7-5-6-12(11-13)15-17(24)19(26)21(20(27)18(15)25)28-22(31)16-14-8-3-4-9-30(14)29-23(16)32/h3-9,11H,2,10H2,1H3,(H,28,31)(H,29,32).
What are the key properties of 2-oxo-N-[2,3,5,6-tetrafluoro-4-(3-propoxyphenyl)phenyl]-1H-pyrazolo[1,5-a]pyridine-3-carboxamide?
2-oxo-N-[2,3,5,6-tetrafluoro-4-(3-propoxyphenyl)phenyl]-1H-pyrazolo[1,5-a]pyridine-3-carboxamide has a molecular weight of 459.40 g/mol, XLogP of 4.89, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-N-[2,3,5,6-tetrafluoro-4-(3-propoxyphenyl)phenyl]-1H-pyrazolo[1,5-a]pyridine-3-carboxamide is sourced from PubChem (CID 163299027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).