(2,4-difluorophenyl)-[4-[6-[(4-methyl-2-pyridinyl)amino]pyridazin-3-yl]piperazin-1-yl]methanone

C21H20F2N6O — CID 121064733

IUPAC(2,4-difluorophenyl)-[4-[6-[(4-methyl-2-pyridinyl)amino]pyridazin-3-yl]piperazin-1-yl]methanone
SMILESCc1ccnc(Nc2ccc(N3CCN(C(=O)c4ccc(F)cc4F)CC3)nn2)c1
InChIInChI=1S/C21H20F2N6O/c1-14-6-7-24-19(12-14)25-18-4-5-20(27-26-18)28-8-10-29(11-9-28)21(30)16-3-2-15(22)13-17(16)23/h2-7,12-13H,8-11H2,1H3,(H,24,25,26)
InChIKeyYVDCFLDTKSFGPK-UHFFFAOYSA-N
MW410.43 g/mol
LogP3.16
Rot. Bonds4

About (2,4-difluorophenyl)-[4-[6-[(4-methyl-2-pyridinyl)amino]pyridazin-3-yl]piperazin-1-yl]methanone

(2,4-difluorophenyl)-[4-[6-[(4-methyl-2-pyridinyl)amino]pyridazin-3-yl]piperazin-1-yl]methanone (PubChem CID 121064733) has the molecular formula C21H20F2N6O and a molecular weight of 410.43 g/mol. Its IUPAC name is (2,4-difluorophenyl)-[4-[6-[(4-methyl-2-pyridinyl)amino]pyridazin-3-yl]piperazin-1-yl]methanone.

Molecular Properties

Compound Name(2,4-difluorophenyl)-[4-[6-[(4-methyl-2-pyridinyl)amino]pyridazin-3-yl]piperazin-1-yl]methanone
PubChem CID121064733
Molecular FormulaC21H20F2N6O
Molecular Weight410.43 g/mol
Exact Mass410.17
IUPAC Name(2,4-difluorophenyl)-[4-[6-[(4-methyl-2-pyridinyl)amino]pyridazin-3-yl]piperazin-1-yl]methanone
SMILESCc1ccnc(Nc2ccc(N3CCN(C(=O)c4ccc(F)cc4F)CC3)nn2)c1
InChIInChI=1S/C21H20F2N6O/c1-14-6-7-24-19(12-14)25-18-4-5-20(27-26-18)28-8-10-29(11-9-28)21(30)16-3-2-15(22)13-17(16)23/h2-7,12-13H,8-11H2,1H3,(H,24,25,26)
InChIKeyYVDCFLDTKSFGPK-UHFFFAOYSA-N
XLogP3.16
TPSA74.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.43
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (2,4-difluorophenyl)-[4-[6-[(4-methyl-2-pyridinyl)amino]pyridazin-3-yl]piperazin-1-yl]methanone with MolForge

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Related Compounds

(2,5-dimethylfuran-3-yl)-[4-[6-[(4-methyl-2-pyridinyl)amino]pyridazin-3-yl]piperazin-1-yl]methanone
CID 122346868
(2-bromophenyl)-[4-[6-[(4-methyl-2-pyridinyl)amino]pyridazin-3-yl]piperazin-1-yl]methanone
CID 121064734
(5-methyl-1,2-oxazol-3-yl)-[4-[6-[(4-methyl-2-pyridinyl)amino]pyridazin-3-yl]piperazin-1-yl]methanone
CID 122346877
(3-bromophenyl)-[4-[6-[(4-methyl-2-pyridinyl)amino]pyridazin-3-yl]piperazin-1-yl]methanone
CID 121064735
(2-bromo-5-methoxyphenyl)-[4-[6-[(4-methyl-2-pyridinyl)amino]pyridazin-3-yl]piperazin-1-yl]methanone
CID 122346940
(6-methoxy-3-pyridinyl)-[4-[6-[(4-methyl-2-pyridinyl)amino]pyridazin-3-yl]piperazin-1-yl]methanone
CID 122346962
6-[4-(5-fluoro-2-methylphenyl)sulfonylpiperazin-1-yl]-N-(4-methyl-2-pyridinyl)pyridazin-3-amine
CID 121064749
1-[4-[6-[(4-methyl-2-pyridinyl)amino]pyridazin-3-yl]piperazin-1-yl]-2,2-diphenylethanone
CID 121064730
5-[4-[6-[(4-methyl-2-pyridinyl)amino]pyridazin-3-yl]piperazine-1-carbonyl]pyrrolidin-2-one
CID 121064759
[4-[6-[(5-methyl-2-pyridinyl)amino]pyridazin-3-yl]piperazin-1-yl]-(2,3,4-trifluorophenyl)methanone
CID 122351437
N-(3,4-dimethylphenyl)-4-[6-[(4-methyl-2-pyridinyl)amino]pyridazin-3-yl]piperazine-1-carboxamide
CID 121064676
N-(2-methoxyphenyl)-4-[6-[(4-methyl-2-pyridinyl)amino]pyridazin-3-yl]piperazine-1-carboxamide
CID 42111702

Frequently Asked Questions

What is the IUPAC name of (2,4-difluorophenyl)-[4-[6-[(4-methyl-2-pyridinyl)amino]pyridazin-3-yl]piperazin-1-yl]methanone?
The IUPAC name of (2,4-difluorophenyl)-[4-[6-[(4-methyl-2-pyridinyl)amino]pyridazin-3-yl]piperazin-1-yl]methanone (CID 121064733) is (2,4-difluorophenyl)-[4-[6-[(4-methyl-2-pyridinyl)amino]pyridazin-3-yl]piperazin-1-yl]methanone.
What is the SMILES notation for (2,4-difluorophenyl)-[4-[6-[(4-methyl-2-pyridinyl)amino]pyridazin-3-yl]piperazin-1-yl]methanone?
The canonical SMILES for (2,4-difluorophenyl)-[4-[6-[(4-methyl-2-pyridinyl)amino]pyridazin-3-yl]piperazin-1-yl]methanone is Cc1ccnc(Nc2ccc(N3CCN(C(=O)c4ccc(F)cc4F)CC3)nn2)c1.
What is the InChIKey of (2,4-difluorophenyl)-[4-[6-[(4-methyl-2-pyridinyl)amino]pyridazin-3-yl]piperazin-1-yl]methanone?
The InChIKey is YVDCFLDTKSFGPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20F2N6O/c1-14-6-7-24-19(12-14)25-18-4-5-20(27-26-18)28-8-10-29(11-9-28)21(30)16-3-2-15(22)13-17(16)23/h2-7,12-13H,8-11H2,1H3,(H,24,25,26).
What are the key properties of (2,4-difluorophenyl)-[4-[6-[(4-methyl-2-pyridinyl)amino]pyridazin-3-yl]piperazin-1-yl]methanone?
(2,4-difluorophenyl)-[4-[6-[(4-methyl-2-pyridinyl)amino]pyridazin-3-yl]piperazin-1-yl]methanone has a molecular weight of 410.43 g/mol, XLogP of 3.16, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-difluorophenyl)-[4-[6-[(4-methyl-2-pyridinyl)amino]pyridazin-3-yl]piperazin-1-yl]methanone is sourced from PubChem (CID 121064733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).