(2-chloro-6-fluorophenyl)-[4-[6-[(5-methyl-2-pyridinyl)amino]pyridazin-3-yl]piperazin-1-yl]methanone

C21H20ClFN6O — CID 56919528

IUPAC(2-chloro-6-fluorophenyl)-[4-[6-[(5-methyl-2-pyridinyl)amino]pyridazin-3-yl]piperazin-1-yl]methanone
SMILESCc1ccc(Nc2ccc(N3CCN(C(=O)c4c(F)cccc4Cl)CC3)nn2)nc1
InChIInChI=1S/C21H20ClFN6O/c1-14-5-6-17(24-13-14)25-18-7-8-19(27-26-18)28-9-11-29(12-10-28)21(30)20-15(22)3-2-4-16(20)23/h2-8,13H,9-12H2,1H3,(H,24,25,26)
InChIKeyANPZRRTZIMFOFI-UHFFFAOYSA-N
MW426.88 g/mol
LogP3.68
Rot. Bonds4

About (2-chloro-6-fluorophenyl)-[4-[6-[(5-methyl-2-pyridinyl)amino]pyridazin-3-yl]piperazin-1-yl]methanone

(2-chloro-6-fluorophenyl)-[4-[6-[(5-methyl-2-pyridinyl)amino]pyridazin-3-yl]piperazin-1-yl]methanone (PubChem CID 56919528) has the molecular formula C21H20ClFN6O and a molecular weight of 426.88 g/mol. Its IUPAC name is (2-chloro-6-fluorophenyl)-[4-[6-[(5-methyl-2-pyridinyl)amino]pyridazin-3-yl]piperazin-1-yl]methanone.

Molecular Properties

Compound Name(2-chloro-6-fluorophenyl)-[4-[6-[(5-methyl-2-pyridinyl)amino]pyridazin-3-yl]piperazin-1-yl]methanone
PubChem CID56919528
Molecular FormulaC21H20ClFN6O
Molecular Weight426.88 g/mol
Exact Mass426.14
IUPAC Name(2-chloro-6-fluorophenyl)-[4-[6-[(5-methyl-2-pyridinyl)amino]pyridazin-3-yl]piperazin-1-yl]methanone
SMILESCc1ccc(Nc2ccc(N3CCN(C(=O)c4c(F)cccc4Cl)CC3)nn2)nc1
InChIInChI=1S/C21H20ClFN6O/c1-14-5-6-17(24-13-14)25-18-7-8-19(27-26-18)28-9-11-29(12-10-28)21(30)20-15(22)3-2-4-16(20)23/h2-8,13H,9-12H2,1H3,(H,24,25,26)
InChIKeyANPZRRTZIMFOFI-UHFFFAOYSA-N
XLogP3.68
TPSA74.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.88
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (2-chloro-6-fluorophenyl)-[4-[6-[(5-methyl-2-pyridinyl)amino]pyridazin-3-yl]piperazin-1-yl]methanone 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

(2,6-difluorophenyl)-[4-[6-[(5-methyl-2-pyridinyl)amino]pyridazin-3-yl]piperazin-1-yl]methanone
CID 70702741
[4-[6-[(5-methyl-2-pyridinyl)amino]pyridazin-3-yl]piperazin-1-yl]-(2,3,4-trifluorophenyl)methanone
CID 122351437
[4-[6-[(5-methyl-2-pyridinyl)amino]pyridazin-3-yl]piperazin-1-yl]-phenylmethanone
CID 70702478
(2-methylphenyl)-[4-[6-[(5-methyl-2-pyridinyl)amino]pyridazin-3-yl]piperazin-1-yl]methanone
CID 56919498
(E)-3-(2-chlorophenyl)-1-[4-[6-[(5-methyl-2-pyridinyl)amino]pyridazin-3-yl]piperazin-1-yl]prop-2-en-1-one
CID 122351352
[3-(4-fluorophenoxy)phenyl]-[4-[6-[(5-methyl-2-pyridinyl)amino]pyridazin-3-yl]piperazin-1-yl]methanone
CID 122351498
[4-[6-[(5-methyl-2-pyridinyl)amino]pyridazin-3-yl]piperazin-1-yl]-quinoxalin-2-ylmethanone
CID 122351396
N-[6-(4-acetylpiperazin-1-yl)pyridazin-3-yl]-2-chloro-6-fluorobenzamide
CID 113040581
4-[6-[(5-methyl-2-pyridinyl)amino]pyridazin-3-yl]-N-phenylpiperazine-1-carboxamide
CID 56919619
3-(3-chlorophenyl)-1-[4-[6-[(5-methyl-2-pyridinyl)amino]pyridazin-3-yl]piperazin-1-yl]propan-1-one
CID 122351435
(2,6-difluorophenyl)-[4-[6-(ethylamino)pyridazin-3-yl]piperazin-1-yl]methanone
CID 122350588
(2-chloro-6-fluorophenyl)-[4-(6-methylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 108731836

Frequently Asked Questions

What is the IUPAC name of (2-chloro-6-fluorophenyl)-[4-[6-[(5-methyl-2-pyridinyl)amino]pyridazin-3-yl]piperazin-1-yl]methanone?
The IUPAC name of (2-chloro-6-fluorophenyl)-[4-[6-[(5-methyl-2-pyridinyl)amino]pyridazin-3-yl]piperazin-1-yl]methanone (CID 56919528) is (2-chloro-6-fluorophenyl)-[4-[6-[(5-methyl-2-pyridinyl)amino]pyridazin-3-yl]piperazin-1-yl]methanone.
What is the SMILES notation for (2-chloro-6-fluorophenyl)-[4-[6-[(5-methyl-2-pyridinyl)amino]pyridazin-3-yl]piperazin-1-yl]methanone?
The canonical SMILES for (2-chloro-6-fluorophenyl)-[4-[6-[(5-methyl-2-pyridinyl)amino]pyridazin-3-yl]piperazin-1-yl]methanone is Cc1ccc(Nc2ccc(N3CCN(C(=O)c4c(F)cccc4Cl)CC3)nn2)nc1.
What is the InChIKey of (2-chloro-6-fluorophenyl)-[4-[6-[(5-methyl-2-pyridinyl)amino]pyridazin-3-yl]piperazin-1-yl]methanone?
The InChIKey is ANPZRRTZIMFOFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20ClFN6O/c1-14-5-6-17(24-13-14)25-18-7-8-19(27-26-18)28-9-11-29(12-10-28)21(30)20-15(22)3-2-4-16(20)23/h2-8,13H,9-12H2,1H3,(H,24,25,26).
What are the key properties of (2-chloro-6-fluorophenyl)-[4-[6-[(5-methyl-2-pyridinyl)amino]pyridazin-3-yl]piperazin-1-yl]methanone?
(2-chloro-6-fluorophenyl)-[4-[6-[(5-methyl-2-pyridinyl)amino]pyridazin-3-yl]piperazin-1-yl]methanone has a molecular weight of 426.88 g/mol, XLogP of 3.68, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloro-6-fluorophenyl)-[4-[6-[(5-methyl-2-pyridinyl)amino]pyridazin-3-yl]piperazin-1-yl]methanone is sourced from PubChem (CID 56919528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).