2-oxo-N-(2,3,5,6-tetrafluoro-4-phenylphenyl)-4,5,6,7-tetrahydro-1H-pyrazolo[1,5-a]pyridine-3-carboxamide

C20H15F4N3O2 — CID 146269039

IUPAC2-oxo-N-(2,3,5,6-tetrafluoro-4-phenylphenyl)-4,5,6,7-tetrahydro-1H-pyrazolo[1,5-a]pyridine-3-carboxamide
SMILESO=C(Nc1c(F)c(F)c(-c2ccccc2)c(F)c1F)c1c2n([nH]c1=O)CCCC2
InChIInChI=1S/C20H15F4N3O2/c21-14-12(10-6-2-1-3-7-10)15(22)17(24)18(16(14)23)25-19(28)13-11-8-4-5-9-27(11)26-20(13)29/h1-3,6-7H,4-5,8-9H2,(H,25,28)(H,26,29)
InChIKeyBVDZLMVPCLOVRD-UHFFFAOYSA-N
MW405.35 g/mol
LogP3.99
Rot. Bonds3

About 2-oxo-N-(2,3,5,6-tetrafluoro-4-phenylphenyl)-4,5,6,7-tetrahydro-1H-pyrazolo[1,5-a]pyridine-3-carboxamide

2-oxo-N-(2,3,5,6-tetrafluoro-4-phenylphenyl)-4,5,6,7-tetrahydro-1H-pyrazolo[1,5-a]pyridine-3-carboxamide (PubChem CID 146269039) has the molecular formula C20H15F4N3O2 and a molecular weight of 405.35 g/mol. Its IUPAC name is 2-oxo-N-(2,3,5,6-tetrafluoro-4-phenylphenyl)-4,5,6,7-tetrahydro-1H-pyrazolo[1,5-a]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-oxo-N-(2,3,5,6-tetrafluoro-4-phenylphenyl)-4,5,6,7-tetrahydro-1H-pyrazolo[1,5-a]pyridine-3-carboxamide
PubChem CID146269039
Molecular FormulaC20H15F4N3O2
Molecular Weight405.35 g/mol
Exact Mass405.11
IUPAC Name2-oxo-N-(2,3,5,6-tetrafluoro-4-phenylphenyl)-4,5,6,7-tetrahydro-1H-pyrazolo[1,5-a]pyridine-3-carboxamide
SMILESO=C(Nc1c(F)c(F)c(-c2ccccc2)c(F)c1F)c1c2n([nH]c1=O)CCCC2
InChIInChI=1S/C20H15F4N3O2/c21-14-12(10-6-2-1-3-7-10)15(22)17(24)18(16(14)23)25-19(28)13-11-8-4-5-9-27(11)26-20(13)29/h1-3,6-7H,4-5,8-9H2,(H,25,28)(H,26,29)
InChIKeyBVDZLMVPCLOVRD-UHFFFAOYSA-N
XLogP3.99
TPSA66.89 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.35
LogP ≤ 53.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Meds433
CID 134686803
2-Methyl-5-Oxidanyl-~{n}-[2,3,5,6-Tetrakis(Fluoranyl)-4-Phenyl-Phenyl]-1,2,3-Triazole-4-Carboxamide
CID 124220265
1,5-Dimethyl-3-Oxidanyl-~{n}-[2,3,5,6-Tetrakis(Fluoranyl)-4-Phenyl-Phenyl]pyrazole-4-Carboxamide
CID 124220267
7-methyl-2-oxo-N-(2,3,5,6-tetrafluoro-4-phenylphenyl)-1H-pyrazolo[1,5-a]pyridine-3-carboxamide
CID 145955655
5-methyl-2-oxo-N-(2,3,5,6-tetrafluoro-4-phenylphenyl)-1H-pyrazolo[1,5-a]pyridine-3-carboxamide
CID 145971993
2-oxo-N-[2,3,5,6-tetrafluoro-4-[3-(trifluoromethyl)phenyl]phenyl]-1H-pyrazolo[1,5-a]pyridine-3-carboxamide
CID 151527328
2-oxo-N-[2,3,5,6-tetrafluoro-4-(3-fluorophenyl)phenyl]-1H-pyrazolo[1,5-a]pyridine-3-carboxamide
CID 158005454
2-oxo-N-[2,3,5,6-tetrafluoro-4-(4-fluorophenyl)phenyl]-1H-pyrazolo[1,5-a]pyridine-3-carboxamide
CID 163299004
7-chloro-2-oxo-N-(2,3,5,6-tetrafluoro-4-phenylphenyl)-1H-pyrazolo[1,5-a]pyridine-3-carboxamide
CID 166626236
2-oxo-N-[2,3,5,6-tetrafluoro-4-[4-(trifluoromethyl)phenyl]phenyl]-1H-pyrazolo[1,5-a]pyridine-3-carboxamide
CID 166627845
N-(2,6-difluoro-4-phenylphenyl)-2-methyl-5-oxo-1H-triazole-4-carboxamide
CID 137636400
2-(cyclopropylmethyl)-5-oxo-N-(2,3,5,6-tetrafluoro-4-phenylphenyl)-1H-triazole-4-carboxamide
CID 137638209

Frequently Asked Questions

What is the IUPAC name of 2-oxo-N-(2,3,5,6-tetrafluoro-4-phenylphenyl)-4,5,6,7-tetrahydro-1H-pyrazolo[1,5-a]pyridine-3-carboxamide?
The IUPAC name of 2-oxo-N-(2,3,5,6-tetrafluoro-4-phenylphenyl)-4,5,6,7-tetrahydro-1H-pyrazolo[1,5-a]pyridine-3-carboxamide (CID 146269039) is 2-oxo-N-(2,3,5,6-tetrafluoro-4-phenylphenyl)-4,5,6,7-tetrahydro-1H-pyrazolo[1,5-a]pyridine-3-carboxamide.
What is the SMILES notation for 2-oxo-N-(2,3,5,6-tetrafluoro-4-phenylphenyl)-4,5,6,7-tetrahydro-1H-pyrazolo[1,5-a]pyridine-3-carboxamide?
The canonical SMILES for 2-oxo-N-(2,3,5,6-tetrafluoro-4-phenylphenyl)-4,5,6,7-tetrahydro-1H-pyrazolo[1,5-a]pyridine-3-carboxamide is O=C(Nc1c(F)c(F)c(-c2ccccc2)c(F)c1F)c1c2n([nH]c1=O)CCCC2.
What is the InChIKey of 2-oxo-N-(2,3,5,6-tetrafluoro-4-phenylphenyl)-4,5,6,7-tetrahydro-1H-pyrazolo[1,5-a]pyridine-3-carboxamide?
The InChIKey is BVDZLMVPCLOVRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15F4N3O2/c21-14-12(10-6-2-1-3-7-10)15(22)17(24)18(16(14)23)25-19(28)13-11-8-4-5-9-27(11)26-20(13)29/h1-3,6-7H,4-5,8-9H2,(H,25,28)(H,26,29).
What are the key properties of 2-oxo-N-(2,3,5,6-tetrafluoro-4-phenylphenyl)-4,5,6,7-tetrahydro-1H-pyrazolo[1,5-a]pyridine-3-carboxamide?
2-oxo-N-(2,3,5,6-tetrafluoro-4-phenylphenyl)-4,5,6,7-tetrahydro-1H-pyrazolo[1,5-a]pyridine-3-carboxamide has a molecular weight of 405.35 g/mol, XLogP of 3.99, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-N-(2,3,5,6-tetrafluoro-4-phenylphenyl)-4,5,6,7-tetrahydro-1H-pyrazolo[1,5-a]pyridine-3-carboxamide is sourced from PubChem (CID 146269039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).