3-chloro-6-(chloromethyl)pyridazine;5-[(6-chloropyridazin-3-yl)methyl]-2-(2-fluorophenyl)imidazo[4,5-c]pyridine;2-(2-fluorophenyl)-3H-imidazo[4,5-c]pyridine

C34H23Cl3F2N10 — CID 159551712

IUPAC3-chloro-6-(chloromethyl)pyridazine;5-[(6-chloropyridazin-3-yl)methyl]-2-(2-fluorophenyl)imidazo[4,5-c]pyridine;2-(2-fluorophenyl)-3H-imidazo[4,5-c]pyridine
SMILESClCc1ccc(Cl)nn1.Fc1ccccc1-c1nc2ccn(Cc3ccc(Cl)nn3)cc-2n1.Fc1ccccc1-c1nc2ccncc2[nH]1
InChIInChI=1S/C17H11ClFN5.C12H8FN3.C5H4Cl2N2/c18-16-6-5-11(22-23-16)9-24-8-7-14-15(10-24)21-17(20-14)12-3-1-2-4-13(12)19;13-9-4-2-1-3-8(9)12-15-10-5-6-14-7-11(10)16-12;6-3-4-1-2-5(7)9-8-4/h1-8,10H,9H2;1-7H,(H,15,16);1-2H,3H2
InChIKeyMFMBAGXXLXZHSH-UHFFFAOYSA-N
MW715.98 g/mol
LogP8.31
Rot. Bonds5

About 3-chloro-6-(chloromethyl)pyridazine;5-[(6-chloropyridazin-3-yl)methyl]-2-(2-fluorophenyl)imidazo[4,5-c]pyridine;2-(2-fluorophenyl)-3H-imidazo[4,5-c]pyridine

3-chloro-6-(chloromethyl)pyridazine;5-[(6-chloropyridazin-3-yl)methyl]-2-(2-fluorophenyl)imidazo[4,5-c]pyridine;2-(2-fluorophenyl)-3H-imidazo[4,5-c]pyridine (PubChem CID 159551712) has the molecular formula C34H23Cl3F2N10 and a molecular weight of 715.98 g/mol. Its IUPAC name is 3-chloro-6-(chloromethyl)pyridazine;5-[(6-chloropyridazin-3-yl)methyl]-2-(2-fluorophenyl)imidazo[4,5-c]pyridine;2-(2-fluorophenyl)-3H-imidazo[4,5-c]pyridine.

Molecular Properties

Compound Name3-chloro-6-(chloromethyl)pyridazine;5-[(6-chloropyridazin-3-yl)methyl]-2-(2-fluorophenyl)imidazo[4,5-c]pyridine;2-(2-fluorophenyl)-3H-imidazo[4,5-c]pyridine
PubChem CID159551712
Molecular FormulaC34H23Cl3F2N10
Molecular Weight715.98 g/mol
Exact Mass714.11
IUPAC Name3-chloro-6-(chloromethyl)pyridazine;5-[(6-chloropyridazin-3-yl)methyl]-2-(2-fluorophenyl)imidazo[4,5-c]pyridine;2-(2-fluorophenyl)-3H-imidazo[4,5-c]pyridine
SMILESClCc1ccc(Cl)nn1.Fc1ccccc1-c1nc2ccn(Cc3ccc(Cl)nn3)cc-2n1.Fc1ccccc1-c1nc2ccncc2[nH]1
InChIInChI=1S/C17H11ClFN5.C12H8FN3.C5H4Cl2N2/c18-16-6-5-11(22-23-16)9-24-8-7-14-15(10-24)21-17(20-14)12-3-1-2-4-13(12)19;13-9-4-2-1-3-8(9)12-15-10-5-6-14-7-11(10)16-12;6-3-4-1-2-5(7)9-8-4/h1-8,10H,9H2;1-7H,(H,15,16);1-2H,3H2
InChIKeyMFMBAGXXLXZHSH-UHFFFAOYSA-N
XLogP8.31
TPSA123.84 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500715.98
LogP ≤ 58.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

Analyze 3-chloro-6-(chloromethyl)pyridazine;5-[(6-chloropyridazin-3-yl)methyl]-2-(2-fluorophenyl)imidazo[4,5-c]pyridine;2-(2-fluorophenyl)-3H-imidazo[4,5-c]pyridine 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

6-chloro-7-(4-(4-chlorobenzyl)piperazin-1-yl)-2-(1,3-dimethyl-1H-pyrazol-4-yl)-3H-imidazo(4,5-b)pyridine
CID 71454279
2-(2,6-dichlorophenyl)-N-(6-pyrrolidin-1-ylpyrimidin-4-yl)-1H-imidazo[4,5-c]pyridin-4-amine
CID 68234726
Ipivivint
CID 136213660
(3S)-1-[3-(3-chloro-5-fluorophenyl)-5-(4-fluoro-1H-benzimidazol-2-yl)-4-pyridinyl]pyrrolidin-3-amine
CID 139392711
1-[3-(3-chloro-5-fluorophenyl)-5-(6-fluoro-1H-benzimidazol-2-yl)-4-pyridinyl]piperidin-4-amine
CID 164627529
N-{1-[8-Chloro-5-(3-fluorophenyl)imidazo[1,5-a]-pyridin-6-yl]ethyl}-9H-purin-6-amine
CID 53465270
US11352340, Example 1
CID 129315720
8-(2-Chlorophenyl)-9-(4-chlorophenyl)-6-[4-[(1,5-dimethylpyrazol-4-yl)methyl]piperazin-1-yl]purine
CID 135156161
5-[3-[7-(3-fluorophenyl)-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-N,N-dimethylpyridin-3-amine
CID 136213596
IRE1|A kinase-IN-1
CID 139593294
N-[1-[8-(2-chlorophenyl)-9-(4-chlorophenyl)purin-6-yl]piperidin-4-yl]pyrimidin-2-amine
CID 146257114
N-[(1S)-1-(6-chloro-1-pyridin-3-ylindazol-3-yl)ethyl]-7H-purin-6-amine
CID 149105410

Frequently Asked Questions

What is the IUPAC name of 3-chloro-6-(chloromethyl)pyridazine;5-[(6-chloropyridazin-3-yl)methyl]-2-(2-fluorophenyl)imidazo[4,5-c]pyridine;2-(2-fluorophenyl)-3H-imidazo[4,5-c]pyridine?
The IUPAC name of 3-chloro-6-(chloromethyl)pyridazine;5-[(6-chloropyridazin-3-yl)methyl]-2-(2-fluorophenyl)imidazo[4,5-c]pyridine;2-(2-fluorophenyl)-3H-imidazo[4,5-c]pyridine (CID 159551712) is 3-chloro-6-(chloromethyl)pyridazine;5-[(6-chloropyridazin-3-yl)methyl]-2-(2-fluorophenyl)imidazo[4,5-c]pyridine;2-(2-fluorophenyl)-3H-imidazo[4,5-c]pyridine.
What is the SMILES notation for 3-chloro-6-(chloromethyl)pyridazine;5-[(6-chloropyridazin-3-yl)methyl]-2-(2-fluorophenyl)imidazo[4,5-c]pyridine;2-(2-fluorophenyl)-3H-imidazo[4,5-c]pyridine?
The canonical SMILES for 3-chloro-6-(chloromethyl)pyridazine;5-[(6-chloropyridazin-3-yl)methyl]-2-(2-fluorophenyl)imidazo[4,5-c]pyridine;2-(2-fluorophenyl)-3H-imidazo[4,5-c]pyridine is ClCc1ccc(Cl)nn1.Fc1ccccc1-c1nc2ccn(Cc3ccc(Cl)nn3)cc-2n1.Fc1ccccc1-c1nc2ccncc2[nH]1.
What is the InChIKey of 3-chloro-6-(chloromethyl)pyridazine;5-[(6-chloropyridazin-3-yl)methyl]-2-(2-fluorophenyl)imidazo[4,5-c]pyridine;2-(2-fluorophenyl)-3H-imidazo[4,5-c]pyridine?
The InChIKey is MFMBAGXXLXZHSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11ClFN5.C12H8FN3.C5H4Cl2N2/c18-16-6-5-11(22-23-16)9-24-8-7-14-15(10-24)21-17(20-14)12-3-1-2-4-13(12)19;13-9-4-2-1-3-8(9)12-15-10-5-6-14-7-11(10)16-12;6-3-4-1-2-5(7)9-8-4/h1-8,10H,9H2;1-7H,(H,15,16);1-2H,3H2.
What are the key properties of 3-chloro-6-(chloromethyl)pyridazine;5-[(6-chloropyridazin-3-yl)methyl]-2-(2-fluorophenyl)imidazo[4,5-c]pyridine;2-(2-fluorophenyl)-3H-imidazo[4,5-c]pyridine?
3-chloro-6-(chloromethyl)pyridazine;5-[(6-chloropyridazin-3-yl)methyl]-2-(2-fluorophenyl)imidazo[4,5-c]pyridine;2-(2-fluorophenyl)-3H-imidazo[4,5-c]pyridine has a molecular weight of 715.98 g/mol, XLogP of 8.31, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-6-(chloromethyl)pyridazine;5-[(6-chloropyridazin-3-yl)methyl]-2-(2-fluorophenyl)imidazo[4,5-c]pyridine;2-(2-fluorophenyl)-3H-imidazo[4,5-c]pyridine is sourced from PubChem (CID 159551712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).