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

C21H21BrN6O — CID 121064735

IUPAC(3-bromophenyl)-[4-[6-[(4-methyl-2-pyridinyl)amino]pyridazin-3-yl]piperazin-1-yl]methanone
SMILESCc1ccnc(Nc2ccc(N3CCN(C(=O)c4cccc(Br)c4)CC3)nn2)c1
InChIInChI=1S/C21H21BrN6O/c1-15-7-8-23-19(13-15)24-18-5-6-20(26-25-18)27-9-11-28(12-10-27)21(29)16-3-2-4-17(22)14-16/h2-8,13-14H,9-12H2,1H3,(H,23,24,25)
InChIKeyIVUOXIASWIJKCY-UHFFFAOYSA-N
MW453.34 g/mol
LogP3.65
Rot. Bonds4

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

(3-bromophenyl)-[4-[6-[(4-methyl-2-pyridinyl)amino]pyridazin-3-yl]piperazin-1-yl]methanone (PubChem CID 121064735) has the molecular formula C21H21BrN6O and a molecular weight of 453.34 g/mol. Its IUPAC name is (3-bromophenyl)-[4-[6-[(4-methyl-2-pyridinyl)amino]pyridazin-3-yl]piperazin-1-yl]methanone.

Molecular Properties

Compound Name(3-bromophenyl)-[4-[6-[(4-methyl-2-pyridinyl)amino]pyridazin-3-yl]piperazin-1-yl]methanone
PubChem CID121064735
Molecular FormulaC21H21BrN6O
Molecular Weight453.34 g/mol
Exact Mass452.10
IUPAC Name(3-bromophenyl)-[4-[6-[(4-methyl-2-pyridinyl)amino]pyridazin-3-yl]piperazin-1-yl]methanone
SMILESCc1ccnc(Nc2ccc(N3CCN(C(=O)c4cccc(Br)c4)CC3)nn2)c1
InChIInChI=1S/C21H21BrN6O/c1-15-7-8-23-19(13-15)24-18-5-6-20(26-25-18)27-9-11-28(12-10-27)21(29)16-3-2-4-17(22)14-16/h2-8,13-14H,9-12H2,1H3,(H,23,24,25)
InChIKeyIVUOXIASWIJKCY-UHFFFAOYSA-N
XLogP3.65
TPSA74.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.34
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

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Related Compounds

(2-bromophenyl)-[4-[6-[(4-methyl-2-pyridinyl)amino]pyridazin-3-yl]piperazin-1-yl]methanone
CID 121064734
(6-methoxy-3-pyridinyl)-[4-[6-[(4-methyl-2-pyridinyl)amino]pyridazin-3-yl]piperazin-1-yl]methanone
CID 122346962
(2-bromo-5-methoxyphenyl)-[4-[6-[(4-methyl-2-pyridinyl)amino]pyridazin-3-yl]piperazin-1-yl]methanone
CID 122346940
(5-methyl-1,2-oxazol-3-yl)-[4-[6-[(4-methyl-2-pyridinyl)amino]pyridazin-3-yl]piperazin-1-yl]methanone
CID 122346877
(2,5-dimethylfuran-3-yl)-[4-[6-[(4-methyl-2-pyridinyl)amino]pyridazin-3-yl]piperazin-1-yl]methanone
CID 122346868
(2,4-difluorophenyl)-[4-[6-[(4-methyl-2-pyridinyl)amino]pyridazin-3-yl]piperazin-1-yl]methanone
CID 121064733
1-[4-[6-[(4-methyl-2-pyridinyl)amino]pyridazin-3-yl]piperazin-1-yl]-2,2-diphenylethanone
CID 121064730
[4-[6-[(4-methyl-2-pyridinyl)amino]pyridazin-3-yl]piperazin-1-yl]-(oxolan-3-yl)methanone
CID 122346913
(3-chlorophenyl)-[4-[6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]piperazin-1-yl]methanone
CID 122349334
(6-cyclopentyloxy-3-pyridinyl)-[4-[6-[(4-methyl-2-pyridinyl)amino]pyridazin-3-yl]piperazin-1-yl]methanone
CID 122346966
[4-[6-[(5-methyl-2-pyridinyl)amino]pyridazin-3-yl]piperazin-1-yl]-phenylmethanone
CID 70702478
(4-bromophenyl)-[4-[6-[(6-methyl-2-pyridinyl)amino]pyridazin-3-yl]piperazin-1-yl]methanone
CID 121064797

Frequently Asked Questions

What is the IUPAC name of (3-bromophenyl)-[4-[6-[(4-methyl-2-pyridinyl)amino]pyridazin-3-yl]piperazin-1-yl]methanone?
The IUPAC name of (3-bromophenyl)-[4-[6-[(4-methyl-2-pyridinyl)amino]pyridazin-3-yl]piperazin-1-yl]methanone (CID 121064735) is (3-bromophenyl)-[4-[6-[(4-methyl-2-pyridinyl)amino]pyridazin-3-yl]piperazin-1-yl]methanone.
What is the SMILES notation for (3-bromophenyl)-[4-[6-[(4-methyl-2-pyridinyl)amino]pyridazin-3-yl]piperazin-1-yl]methanone?
The canonical SMILES for (3-bromophenyl)-[4-[6-[(4-methyl-2-pyridinyl)amino]pyridazin-3-yl]piperazin-1-yl]methanone is Cc1ccnc(Nc2ccc(N3CCN(C(=O)c4cccc(Br)c4)CC3)nn2)c1.
What is the InChIKey of (3-bromophenyl)-[4-[6-[(4-methyl-2-pyridinyl)amino]pyridazin-3-yl]piperazin-1-yl]methanone?
The InChIKey is IVUOXIASWIJKCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21BrN6O/c1-15-7-8-23-19(13-15)24-18-5-6-20(26-25-18)27-9-11-28(12-10-27)21(29)16-3-2-4-17(22)14-16/h2-8,13-14H,9-12H2,1H3,(H,23,24,25).
What are the key properties of (3-bromophenyl)-[4-[6-[(4-methyl-2-pyridinyl)amino]pyridazin-3-yl]piperazin-1-yl]methanone?
(3-bromophenyl)-[4-[6-[(4-methyl-2-pyridinyl)amino]pyridazin-3-yl]piperazin-1-yl]methanone has a molecular weight of 453.34 g/mol, XLogP of 3.65, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromophenyl)-[4-[6-[(4-methyl-2-pyridinyl)amino]pyridazin-3-yl]piperazin-1-yl]methanone is sourced from PubChem (CID 121064735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).