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

C21H13F4N3O3 — CID 166634186

IUPAC2-oxo-N-[2,3,5,6-tetrafluoro-4-(3-methoxyphenyl)phenyl]-1H-pyrazolo[1,5-a]pyridine-3-carboxamide
SMILESCOc1cccc(-c2c(F)c(F)c(NC(=O)c3c(=O)[nH]n4ccccc34)c(F)c2F)c1
InChIInChI=1S/C21H13F4N3O3/c1-31-11-6-4-5-10(9-11)13-15(22)17(24)19(18(25)16(13)23)26-20(29)14-12-7-2-3-8-28(12)27-21(14)30/h2-9H,1H3,(H,26,29)(H,27,30)
InChIKeyMOUXQJXFYIHZAV-UHFFFAOYSA-N
MW431.35 g/mol
LogP4.11
Rot. Bonds4

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

2-oxo-N-[2,3,5,6-tetrafluoro-4-(3-methoxyphenyl)phenyl]-1H-pyrazolo[1,5-a]pyridine-3-carboxamide (PubChem CID 166634186) has the molecular formula C21H13F4N3O3 and a molecular weight of 431.35 g/mol. Its IUPAC name is 2-oxo-N-[2,3,5,6-tetrafluoro-4-(3-methoxyphenyl)phenyl]-1H-pyrazolo[1,5-a]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-oxo-N-[2,3,5,6-tetrafluoro-4-(3-methoxyphenyl)phenyl]-1H-pyrazolo[1,5-a]pyridine-3-carboxamide
PubChem CID166634186
Molecular FormulaC21H13F4N3O3
Molecular Weight431.35 g/mol
Exact Mass431.09
IUPAC Name2-oxo-N-[2,3,5,6-tetrafluoro-4-(3-methoxyphenyl)phenyl]-1H-pyrazolo[1,5-a]pyridine-3-carboxamide
SMILESCOc1cccc(-c2c(F)c(F)c(NC(=O)c3c(=O)[nH]n4ccccc34)c(F)c2F)c1
InChIInChI=1S/C21H13F4N3O3/c1-31-11-6-4-5-10(9-11)13-15(22)17(24)19(18(25)16(13)23)26-20(29)14-12-7-2-3-8-28(12)27-21(14)30/h2-9H,1H3,(H,26,29)(H,27,30)
InChIKeyMOUXQJXFYIHZAV-UHFFFAOYSA-N
XLogP4.11
TPSA75.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.35
LogP ≤ 54.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

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
2-oxo-N-[2,3,5,6-tetrafluoro-4-(3-propoxyphenyl)phenyl]-1H-pyrazolo[1,5-a]pyridine-3-carboxamide
CID 163299027
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-(trifluoromethoxy)phenyl]phenyl]-1H-pyrazolo[1,5-a]pyridine-3-carboxamide
CID 166635404
(4Z)-4-(3-methoxybenzylidene)-1-phenylpyrazolidine-3,5-dione
CID 12655547
(4Z)-1-(4-fluorophenyl)-4-(3-methoxybenzylidene)pyrazolidine-3,5-dione
CID 24762029
N-[4-[3-(2,2-difluoropropoxy)phenyl]-2,3,5,6-tetrafluorophenyl]-2-oxo-1H-pyrazolo[1,5-a]pyridine-3-carboxamide
CID 163299017
(4E)-4-[(3-methoxyphenyl)methylidene]-1-[3-(trifluoromethyl)phenyl]pyrazolidine-3,5-dione
CID 1108397
1-N-[2,6-difluoro-4-[3-(trideuteriomethoxy)phenyl]phenyl]cyclopentene-1,2-dicarboxamide
CID 172194101
(4E)-1-(4-fluorophenyl)-4-(3-methoxybenzylidene)pyrazolidine-3,5-dione
CID 5803857
1-(4-fluorophenyl)-3-(3-methoxyphenyl)-1H-pyrazol-5-ol
CID 16426391

Frequently Asked Questions

What is the IUPAC name of 2-oxo-N-[2,3,5,6-tetrafluoro-4-(3-methoxyphenyl)phenyl]-1H-pyrazolo[1,5-a]pyridine-3-carboxamide?
The IUPAC name of 2-oxo-N-[2,3,5,6-tetrafluoro-4-(3-methoxyphenyl)phenyl]-1H-pyrazolo[1,5-a]pyridine-3-carboxamide (CID 166634186) is 2-oxo-N-[2,3,5,6-tetrafluoro-4-(3-methoxyphenyl)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-methoxyphenyl)phenyl]-1H-pyrazolo[1,5-a]pyridine-3-carboxamide?
The canonical SMILES for 2-oxo-N-[2,3,5,6-tetrafluoro-4-(3-methoxyphenyl)phenyl]-1H-pyrazolo[1,5-a]pyridine-3-carboxamide is 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-methoxyphenyl)phenyl]-1H-pyrazolo[1,5-a]pyridine-3-carboxamide?
The InChIKey is MOUXQJXFYIHZAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H13F4N3O3/c1-31-11-6-4-5-10(9-11)13-15(22)17(24)19(18(25)16(13)23)26-20(29)14-12-7-2-3-8-28(12)27-21(14)30/h2-9H,1H3,(H,26,29)(H,27,30).
What are the key properties of 2-oxo-N-[2,3,5,6-tetrafluoro-4-(3-methoxyphenyl)phenyl]-1H-pyrazolo[1,5-a]pyridine-3-carboxamide?
2-oxo-N-[2,3,5,6-tetrafluoro-4-(3-methoxyphenyl)phenyl]-1H-pyrazolo[1,5-a]pyridine-3-carboxamide has a molecular weight of 431.35 g/mol, XLogP of 4.11, 4 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-methoxyphenyl)phenyl]-1H-pyrazolo[1,5-a]pyridine-3-carboxamide is sourced from PubChem (CID 166634186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).