4-(2,6-difluoroanilino)-3-(1H-pyrazole-4-carboximidoyl)-1H-pyridin-2-one

C15H11F2N5O — CID 137160747

IUPAC4-(2,6-difluoroanilino)-3-(1H-pyrazole-4-carboximidoyl)-1H-pyridin-2-one
SMILES[H]/N=C(\c1cn[nH]c1)c1c(Nc2c(F)cccc2F)cc[nH]c1=O
InChIInChI=1S/C15H11F2N5O/c16-9-2-1-3-10(17)14(9)22-11-4-5-19-15(23)12(11)13(18)8-6-20-21-7-8/h1-7,18H,(H,20,21)(H2,19,22,23)/b18-13+
InChIKeyRURGXSCZVMZTFW-QGOAFFKASA-N
MW315.28 g/mol
LogP2.54
Rot. Bonds4

About 4-(2,6-difluoroanilino)-3-(1H-pyrazole-4-carboximidoyl)-1H-pyridin-2-one

4-(2,6-difluoroanilino)-3-(1H-pyrazole-4-carboximidoyl)-1H-pyridin-2-one (PubChem CID 137160747) has the molecular formula C15H11F2N5O and a molecular weight of 315.28 g/mol. Its IUPAC name is 4-(2,6-difluoroanilino)-3-(1H-pyrazole-4-carboximidoyl)-1H-pyridin-2-one.

Molecular Properties

Compound Name4-(2,6-difluoroanilino)-3-(1H-pyrazole-4-carboximidoyl)-1H-pyridin-2-one
PubChem CID137160747
Molecular FormulaC15H11F2N5O
Molecular Weight315.28 g/mol
Exact Mass315.09
IUPAC Name4-(2,6-difluoroanilino)-3-(1H-pyrazole-4-carboximidoyl)-1H-pyridin-2-one
SMILES[H]/N=C(\c1cn[nH]c1)c1c(Nc2c(F)cccc2F)cc[nH]c1=O
InChIInChI=1S/C15H11F2N5O/c16-9-2-1-3-10(17)14(9)22-11-4-5-19-15(23)12(11)13(18)8-6-20-21-7-8/h1-7,18H,(H,20,21)(H2,19,22,23)/b18-13+
InChIKeyRURGXSCZVMZTFW-QGOAFFKASA-N
XLogP2.54
TPSA97.42 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.28
LogP ≤ 52.54
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(2,6-difluoroanilino)-3-(1H-pyrazole-4-carboximidoyl)-1H-pyridin-2-one?
The IUPAC name of 4-(2,6-difluoroanilino)-3-(1H-pyrazole-4-carboximidoyl)-1H-pyridin-2-one (CID 137160747) is 4-(2,6-difluoroanilino)-3-(1H-pyrazole-4-carboximidoyl)-1H-pyridin-2-one.
What is the SMILES notation for 4-(2,6-difluoroanilino)-3-(1H-pyrazole-4-carboximidoyl)-1H-pyridin-2-one?
The canonical SMILES for 4-(2,6-difluoroanilino)-3-(1H-pyrazole-4-carboximidoyl)-1H-pyridin-2-one is [H]/N=C(\c1cn[nH]c1)c1c(Nc2c(F)cccc2F)cc[nH]c1=O.
What is the InChIKey of 4-(2,6-difluoroanilino)-3-(1H-pyrazole-4-carboximidoyl)-1H-pyridin-2-one?
The InChIKey is RURGXSCZVMZTFW-QGOAFFKASA-N. The full InChI is InChI=1S/C15H11F2N5O/c16-9-2-1-3-10(17)14(9)22-11-4-5-19-15(23)12(11)13(18)8-6-20-21-7-8/h1-7,18H,(H,20,21)(H2,19,22,23)/b18-13+.
What are the key properties of 4-(2,6-difluoroanilino)-3-(1H-pyrazole-4-carboximidoyl)-1H-pyridin-2-one?
4-(2,6-difluoroanilino)-3-(1H-pyrazole-4-carboximidoyl)-1H-pyridin-2-one has a molecular weight of 315.28 g/mol, XLogP of 2.54, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,6-difluoroanilino)-3-(1H-pyrazole-4-carboximidoyl)-1H-pyridin-2-one is sourced from PubChem (CID 137160747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).