6-chloro-N-[(2R)-2,3-dihydroxypropoxy]-3-(2-fluoro-4-iodoanilino)pyridazine-4-carboxamide

C14H13ClFIN4O4 — CID 59424202

IUPAC6-chloro-N-[(2R)-2,3-dihydroxypropoxy]-3-(2-fluoro-4-iodoanilino)pyridazine-4-carboxamide
SMILESO=C(NOC[C@H](O)CO)c1cc(Cl)nnc1Nc1ccc(I)cc1F
InChIInChI=1S/C14H13ClFIN4O4/c15-12-4-9(14(24)21-25-6-8(23)5-22)13(20-19-12)18-11-2-1-7(17)3-10(11)16/h1-4,8,22-23H,5-6H2,(H,18,20)(H,21,24)/t8-/m1/s1
InChIKeyHNPXTEBUKHMYOH-MRVPVSSYSA-N
MW482.64 g/mol
LogP1.63
Rot. Bonds7

About 6-chloro-N-[(2R)-2,3-dihydroxypropoxy]-3-(2-fluoro-4-iodoanilino)pyridazine-4-carboxamide

6-chloro-N-[(2R)-2,3-dihydroxypropoxy]-3-(2-fluoro-4-iodoanilino)pyridazine-4-carboxamide (PubChem CID 59424202) has the molecular formula C14H13ClFIN4O4 and a molecular weight of 482.64 g/mol. Its IUPAC name is 6-chloro-N-[(2R)-2,3-dihydroxypropoxy]-3-(2-fluoro-4-iodoanilino)pyridazine-4-carboxamide.

Molecular Properties

Compound Name6-chloro-N-[(2R)-2,3-dihydroxypropoxy]-3-(2-fluoro-4-iodoanilino)pyridazine-4-carboxamide
PubChem CID59424202
Molecular FormulaC14H13ClFIN4O4
Molecular Weight482.64 g/mol
Exact Mass481.97
IUPAC Name6-chloro-N-[(2R)-2,3-dihydroxypropoxy]-3-(2-fluoro-4-iodoanilino)pyridazine-4-carboxamide
SMILESO=C(NOC[C@H](O)CO)c1cc(Cl)nnc1Nc1ccc(I)cc1F
InChIInChI=1S/C14H13ClFIN4O4/c15-12-4-9(14(24)21-25-6-8(23)5-22)13(20-19-12)18-11-2-1-7(17)3-10(11)16/h1-4,8,22-23H,5-6H2,(H,18,20)(H,21,24)/t8-/m1/s1
InChIKeyHNPXTEBUKHMYOH-MRVPVSSYSA-N
XLogP1.63
TPSA116.60 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.64
LogP ≤ 51.63
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 6-chloro-N-[(2R)-2,3-dihydroxypropoxy]-3-(2-fluoro-4-iodoanilino)pyridazine-4-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

5-bromo-N-(2,3-dihydroxypropoxy)-4-fluoro-2-(2-fluoro-4-iodoanilino)benzamide
CID 22286479
5-acetyl-N-(2,3-dihydroxypropoxy)-2-(2-fluoro-4-iodoanilino)-1-methylpyrrole-3-carboxamide
CID 74402613
2-(2-chloro-4-iodoanilino)-N-[(2S)-2,3-dihydroxypropoxy]-3,4-difluorobenzamide;2-(2-chloro-4-iodoanilino)-N-[(2R)-2,3-dihydroxypropoxy]-3,4-difluorobenzamide
CID 45481529
N-(2,3-dihydroxypropoxy)-5-(2-fluoro-4-iodoanilino)-1H-imidazo[4,5-b]pyrazine-6-carboxamide
CID 140602340
5-chloro-3,4-difluoro-2-(2-fluoro-4-iodoanilino)-N-(2-hydroxybutoxy)benzamide
CID 22271671
5-acetyl-N-(2,3-dihydroxypropoxy)-4-fluoro-2-(2-fluoro-4-iodoanilino)-1-methylpyrrole-3-carboxamide
CID 74403119
N-[(2R)-2,3-dihydroxypropoxy]-6-(2-fluoro-4-iodoanilino)-1-oxo-2,3-dihydroisoindole-5-carboxamide
CID 45107546
5-chloro-3,4-difluoro-2-(2-fluoro-4-iodoanilino)-N-(2-hydroxy-3-methoxypropoxy)benzamide
CID 22285996
7-bromo-N-[(2R)-2,3-dihydroxypropoxy]-3-(2-fluoro-4-iodoanilino)-1-methylpyrrolo[3,2-c]pyridine-2-carboxamide
CID 59596529
3-fluoro-2-(2-fluoro-4-iodoanilino)-N-[2-hydroxy-3-(methylamino)propoxy]benzamide
CID 174404685
5-bromo-3,4-difluoro-2-(2-fluoro-4-iodoanilino)-N-(2-hydroxy-3-methoxypropoxy)benzamide
CID 22286269
N-(2,3-dihydroxypropoxy)-3,4-difluoro-2-(2-fluoro-4-methylanilino)benzamide;ethane
CID 143815087

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[(2R)-2,3-dihydroxypropoxy]-3-(2-fluoro-4-iodoanilino)pyridazine-4-carboxamide?
The IUPAC name of 6-chloro-N-[(2R)-2,3-dihydroxypropoxy]-3-(2-fluoro-4-iodoanilino)pyridazine-4-carboxamide (CID 59424202) is 6-chloro-N-[(2R)-2,3-dihydroxypropoxy]-3-(2-fluoro-4-iodoanilino)pyridazine-4-carboxamide.
What is the SMILES notation for 6-chloro-N-[(2R)-2,3-dihydroxypropoxy]-3-(2-fluoro-4-iodoanilino)pyridazine-4-carboxamide?
The canonical SMILES for 6-chloro-N-[(2R)-2,3-dihydroxypropoxy]-3-(2-fluoro-4-iodoanilino)pyridazine-4-carboxamide is O=C(NOC[C@H](O)CO)c1cc(Cl)nnc1Nc1ccc(I)cc1F.
What is the InChIKey of 6-chloro-N-[(2R)-2,3-dihydroxypropoxy]-3-(2-fluoro-4-iodoanilino)pyridazine-4-carboxamide?
The InChIKey is HNPXTEBUKHMYOH-MRVPVSSYSA-N. The full InChI is InChI=1S/C14H13ClFIN4O4/c15-12-4-9(14(24)21-25-6-8(23)5-22)13(20-19-12)18-11-2-1-7(17)3-10(11)16/h1-4,8,22-23H,5-6H2,(H,18,20)(H,21,24)/t8-/m1/s1.
What are the key properties of 6-chloro-N-[(2R)-2,3-dihydroxypropoxy]-3-(2-fluoro-4-iodoanilino)pyridazine-4-carboxamide?
6-chloro-N-[(2R)-2,3-dihydroxypropoxy]-3-(2-fluoro-4-iodoanilino)pyridazine-4-carboxamide has a molecular weight of 482.64 g/mol, XLogP of 1.63, 7 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[(2R)-2,3-dihydroxypropoxy]-3-(2-fluoro-4-iodoanilino)pyridazine-4-carboxamide is sourced from PubChem (CID 59424202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).