N-[4-[3-(2-fluorophenyl)-1-(6-oxo-1H-pyridazin-3-yl)pyrazol-4-yl]-2-pyridinyl]cyclopropanecarboxamide

C22H17FN6O2 — CID 10319709

IUPACN-[4-[3-(2-fluorophenyl)-1-(6-oxo-1H-pyridazin-3-yl)pyrazol-4-yl]-2-pyridinyl]cyclopropanecarboxamide
SMILESO=C(Nc1cc(-c2cn(-c3ccc(=O)[nH]n3)nc2-c2ccccc2F)ccn1)C1CC1
InChIInChI=1S/C22H17FN6O2/c23-17-4-2-1-3-15(17)21-16(12-29(28-21)19-7-8-20(30)27-26-19)14-9-10-24-18(11-14)25-22(31)13-5-6-13/h1-4,7-13H,5-6H2,(H,27,30)(H,24,25,31)
InChIKeyIJXMHPKSHNKMDW-UHFFFAOYSA-N
MW416.42 g/mol
LogP3.17
Rot. Bonds5

About N-[4-[3-(2-fluorophenyl)-1-(6-oxo-1H-pyridazin-3-yl)pyrazol-4-yl]-2-pyridinyl]cyclopropanecarboxamide

N-[4-[3-(2-fluorophenyl)-1-(6-oxo-1H-pyridazin-3-yl)pyrazol-4-yl]-2-pyridinyl]cyclopropanecarboxamide (PubChem CID 10319709) has the molecular formula C22H17FN6O2 and a molecular weight of 416.42 g/mol. Its IUPAC name is N-[4-[3-(2-fluorophenyl)-1-(6-oxo-1H-pyridazin-3-yl)pyrazol-4-yl]-2-pyridinyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[4-[3-(2-fluorophenyl)-1-(6-oxo-1H-pyridazin-3-yl)pyrazol-4-yl]-2-pyridinyl]cyclopropanecarboxamide
PubChem CID10319709
Molecular FormulaC22H17FN6O2
Molecular Weight416.42 g/mol
Exact Mass416.14
IUPAC NameN-[4-[3-(2-fluorophenyl)-1-(6-oxo-1H-pyridazin-3-yl)pyrazol-4-yl]-2-pyridinyl]cyclopropanecarboxamide
SMILESO=C(Nc1cc(-c2cn(-c3ccc(=O)[nH]n3)nc2-c2ccccc2F)ccn1)C1CC1
InChIInChI=1S/C22H17FN6O2/c23-17-4-2-1-3-15(17)21-16(12-29(28-21)19-7-8-20(30)27-26-19)14-9-10-24-18(11-14)25-22(31)13-5-6-13/h1-4,7-13H,5-6H2,(H,27,30)(H,24,25,31)
InChIKeyIJXMHPKSHNKMDW-UHFFFAOYSA-N
XLogP3.17
TPSA105.56 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.42
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[4-[3-(2-fluorophenyl)-1-(6-oxo-1H-pyridazin-3-yl)pyrazol-4-yl]-2-pyridinyl]cyclopropanecarboxamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[4-[3-(2-fluorophenyl)-1-(6-oxo-1H-pyridazin-3-yl)pyrazol-4-yl]-2-pyridinyl]cyclopropanecarboxamide?
The IUPAC name of N-[4-[3-(2-fluorophenyl)-1-(6-oxo-1H-pyridazin-3-yl)pyrazol-4-yl]-2-pyridinyl]cyclopropanecarboxamide (CID 10319709) is N-[4-[3-(2-fluorophenyl)-1-(6-oxo-1H-pyridazin-3-yl)pyrazol-4-yl]-2-pyridinyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[4-[3-(2-fluorophenyl)-1-(6-oxo-1H-pyridazin-3-yl)pyrazol-4-yl]-2-pyridinyl]cyclopropanecarboxamide?
The canonical SMILES for N-[4-[3-(2-fluorophenyl)-1-(6-oxo-1H-pyridazin-3-yl)pyrazol-4-yl]-2-pyridinyl]cyclopropanecarboxamide is O=C(Nc1cc(-c2cn(-c3ccc(=O)[nH]n3)nc2-c2ccccc2F)ccn1)C1CC1.
What is the InChIKey of N-[4-[3-(2-fluorophenyl)-1-(6-oxo-1H-pyridazin-3-yl)pyrazol-4-yl]-2-pyridinyl]cyclopropanecarboxamide?
The InChIKey is IJXMHPKSHNKMDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17FN6O2/c23-17-4-2-1-3-15(17)21-16(12-29(28-21)19-7-8-20(30)27-26-19)14-9-10-24-18(11-14)25-22(31)13-5-6-13/h1-4,7-13H,5-6H2,(H,27,30)(H,24,25,31).
What are the key properties of N-[4-[3-(2-fluorophenyl)-1-(6-oxo-1H-pyridazin-3-yl)pyrazol-4-yl]-2-pyridinyl]cyclopropanecarboxamide?
N-[4-[3-(2-fluorophenyl)-1-(6-oxo-1H-pyridazin-3-yl)pyrazol-4-yl]-2-pyridinyl]cyclopropanecarboxamide has a molecular weight of 416.42 g/mol, XLogP of 3.17, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[3-(2-fluorophenyl)-1-(6-oxo-1H-pyridazin-3-yl)pyrazol-4-yl]-2-pyridinyl]cyclopropanecarboxamide is sourced from PubChem (CID 10319709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).