2-fluoro-5-[6-[[1-(3-fluoro-2-pyridinyl)cyclobutyl]-methylamino]pyridazin-3-yl]benzoic acid

C21H18F2N4O2 — CID 67451762

IUPAC2-fluoro-5-[6-[[1-(3-fluoro-2-pyridinyl)cyclobutyl]-methylamino]pyridazin-3-yl]benzoic acid
SMILESCN(c1ccc(-c2ccc(F)c(C(=O)O)c2)nn1)C1(c2ncccc2F)CCC1
InChIInChI=1S/C21H18F2N4O2/c1-27(21(9-3-10-21)19-16(23)4-2-11-24-19)18-8-7-17(25-26-18)13-5-6-15(22)14(12-13)20(28)29/h2,4-8,11-12H,3,9-10H2,1H3,(H,28,29)
InChIKeyRNWYHSJRCGEUIR-UHFFFAOYSA-N
MW396.40 g/mol
LogP4.03
Rot. Bonds5

About 2-fluoro-5-[6-[[1-(3-fluoro-2-pyridinyl)cyclobutyl]-methylamino]pyridazin-3-yl]benzoic acid

2-fluoro-5-[6-[[1-(3-fluoro-2-pyridinyl)cyclobutyl]-methylamino]pyridazin-3-yl]benzoic acid (PubChem CID 67451762) has the molecular formula C21H18F2N4O2 and a molecular weight of 396.40 g/mol. Its IUPAC name is 2-fluoro-5-[6-[[1-(3-fluoro-2-pyridinyl)cyclobutyl]-methylamino]pyridazin-3-yl]benzoic acid.

Molecular Properties

Compound Name2-fluoro-5-[6-[[1-(3-fluoro-2-pyridinyl)cyclobutyl]-methylamino]pyridazin-3-yl]benzoic acid
PubChem CID67451762
Molecular FormulaC21H18F2N4O2
Molecular Weight396.40 g/mol
Exact Mass396.14
IUPAC Name2-fluoro-5-[6-[[1-(3-fluoro-2-pyridinyl)cyclobutyl]-methylamino]pyridazin-3-yl]benzoic acid
SMILESCN(c1ccc(-c2ccc(F)c(C(=O)O)c2)nn1)C1(c2ncccc2F)CCC1
InChIInChI=1S/C21H18F2N4O2/c1-27(21(9-3-10-21)19-16(23)4-2-11-24-19)18-8-7-17(25-26-18)13-5-6-15(22)14(12-13)20(28)29/h2,4-8,11-12H,3,9-10H2,1H3,(H,28,29)
InChIKeyRNWYHSJRCGEUIR-UHFFFAOYSA-N
XLogP4.03
TPSA79.21 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.40
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-fluoro-5-[6-[[1-(3-fluoro-2-pyridinyl)cyclobutyl]-methylamino]pyridazin-3-yl]benzoic acid 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

2-fluoro-5-pyridin-2-ylbenzoic acid
CID 63679251
2-fluoro-5-[6-[[1-(3-fluoro-2-pyridinyl)cyclobutyl]methylamino]pyridazin-3-yl]-N-propylbenzamide;2-fluoro-5-[6-[[1-(3-fluoro-2-pyridinyl)cyclobutyl]methylamino]pyridazin-3-yl]-N-propylbenzenecarbothioamide
CID 157428665
2-fluoro-5-[6-[[3-fluoro-1-(3-fluoro-2-pyridinyl)cyclobutyl]methylamino]pyridazin-3-yl]benzamide
CID 121281954
[1-(3-fluoro-2-pyridinyl)cyclobutyl]methyl-[6-[5-(hydroxymethyl)-1,3-thiazol-2-yl]pyridazin-3-yl]carbamic acid
CID 67453855
6-(3,4-difluorophenyl)-2-methylpyridine-3-carboxylic acid
CID 69038091
2-[5-[[1-(3-fluoro-2-pyridinyl)cyclobutyl]-methylamino]-1,3,4-thiadiazol-2-yl]benzonitrile
CID 70975072
N-[1-(3-fluoro-2-pyridinyl)cyclobutyl]-6-(3H-indol-5-yl)pyridazin-3-amine
CID 161133862
1-(3-fluoro-2-pyridinyl)cyclopropane-1-carboxylic acid
CID 84657708
3-fluoro-2-(1-methylcyclobutyl)pyridine
CID 90282613
2-fluoro-5-(2,4,5-trimethylphenyl)benzoic acid
CID 64984855
2-fluoro-5-(1,3-thiazol-4-yl)benzoic acid
CID 130878805
2-fluoro-5-(1,2-thiazol-5-yl)benzoic acid
CID 130826259

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-5-[6-[[1-(3-fluoro-2-pyridinyl)cyclobutyl]-methylamino]pyridazin-3-yl]benzoic acid?
The IUPAC name of 2-fluoro-5-[6-[[1-(3-fluoro-2-pyridinyl)cyclobutyl]-methylamino]pyridazin-3-yl]benzoic acid (CID 67451762) is 2-fluoro-5-[6-[[1-(3-fluoro-2-pyridinyl)cyclobutyl]-methylamino]pyridazin-3-yl]benzoic acid.
What is the SMILES notation for 2-fluoro-5-[6-[[1-(3-fluoro-2-pyridinyl)cyclobutyl]-methylamino]pyridazin-3-yl]benzoic acid?
The canonical SMILES for 2-fluoro-5-[6-[[1-(3-fluoro-2-pyridinyl)cyclobutyl]-methylamino]pyridazin-3-yl]benzoic acid is CN(c1ccc(-c2ccc(F)c(C(=O)O)c2)nn1)C1(c2ncccc2F)CCC1.
What is the InChIKey of 2-fluoro-5-[6-[[1-(3-fluoro-2-pyridinyl)cyclobutyl]-methylamino]pyridazin-3-yl]benzoic acid?
The InChIKey is RNWYHSJRCGEUIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18F2N4O2/c1-27(21(9-3-10-21)19-16(23)4-2-11-24-19)18-8-7-17(25-26-18)13-5-6-15(22)14(12-13)20(28)29/h2,4-8,11-12H,3,9-10H2,1H3,(H,28,29).
What are the key properties of 2-fluoro-5-[6-[[1-(3-fluoro-2-pyridinyl)cyclobutyl]-methylamino]pyridazin-3-yl]benzoic acid?
2-fluoro-5-[6-[[1-(3-fluoro-2-pyridinyl)cyclobutyl]-methylamino]pyridazin-3-yl]benzoic acid has a molecular weight of 396.40 g/mol, XLogP of 4.03, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-5-[6-[[1-(3-fluoro-2-pyridinyl)cyclobutyl]-methylamino]pyridazin-3-yl]benzoic acid is sourced from PubChem (CID 67451762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).