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

C27H26N6O2 — CID 122347092

IUPAC[4-[6-[(6-methyl-2-pyridinyl)amino]pyridazin-3-yl]piperazin-1-yl]-(2-phenoxyphenyl)methanone
SMILESCc1cccc(Nc2ccc(N3CCN(C(=O)c4ccccc4Oc4ccccc4)CC3)nn2)n1
InChIInChI=1S/C27H26N6O2/c1-20-8-7-13-24(28-20)29-25-14-15-26(31-30-25)32-16-18-33(19-17-32)27(34)22-11-5-6-12-23(22)35-21-9-3-2-4-10-21/h2-15H,16-19H2,1H3,(H,28,29,30)
InChIKeyMDZMMMLOOQSGQC-UHFFFAOYSA-N
MW466.55 g/mol
LogP4.68
Rot. Bonds6

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

[4-[6-[(6-methyl-2-pyridinyl)amino]pyridazin-3-yl]piperazin-1-yl]-(2-phenoxyphenyl)methanone (PubChem CID 122347092) has the molecular formula C27H26N6O2 and a molecular weight of 466.55 g/mol. Its IUPAC name is [4-[6-[(6-methyl-2-pyridinyl)amino]pyridazin-3-yl]piperazin-1-yl]-(2-phenoxyphenyl)methanone.

Molecular Properties

Compound Name[4-[6-[(6-methyl-2-pyridinyl)amino]pyridazin-3-yl]piperazin-1-yl]-(2-phenoxyphenyl)methanone
PubChem CID122347092
Molecular FormulaC27H26N6O2
Molecular Weight466.55 g/mol
Exact Mass466.21
IUPAC Name[4-[6-[(6-methyl-2-pyridinyl)amino]pyridazin-3-yl]piperazin-1-yl]-(2-phenoxyphenyl)methanone
SMILESCc1cccc(Nc2ccc(N3CCN(C(=O)c4ccccc4Oc4ccccc4)CC3)nn2)n1
InChIInChI=1S/C27H26N6O2/c1-20-8-7-13-24(28-20)29-25-14-15-26(31-30-25)32-16-18-33(19-17-32)27(34)22-11-5-6-12-23(22)35-21-9-3-2-4-10-21/h2-15H,16-19H2,1H3,(H,28,29,30)
InChIKeyMDZMMMLOOQSGQC-UHFFFAOYSA-N
XLogP4.68
TPSA83.48 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.55
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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

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Related Compounds

[4-[6-[(6-methyl-2-pyridinyl)amino]pyridazin-3-yl]piperazin-1-yl]-phenylmethanone
CID 42111751
(4-methoxyphenyl)-[4-[6-[(6-methyl-2-pyridinyl)amino]pyridazin-3-yl]piperazin-1-yl]methanone
CID 50947588
(4-fluorophenyl)-[4-[6-[(6-methyl-2-pyridinyl)amino]pyridazin-3-yl]piperazin-1-yl]methanone
CID 42111756
[4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]piperazin-1-yl]-(2-phenoxyphenyl)methanone
CID 122345851
1-[4-[4-[6-[(6-methyl-2-pyridinyl)amino]pyridazin-3-yl]piperazine-1-carbonyl]phenyl]ethanone
CID 122347231
[4-[6-[(6-methyl-2-pyridinyl)amino]pyridazin-3-yl]piperazin-1-yl]-quinolin-2-ylmethanone
CID 122347093
[4-[6-[(6-methyl-2-pyridinyl)amino]pyridazin-3-yl]piperazin-1-yl]-(2,3,4-trifluorophenyl)methanone
CID 122347173
N-(2-methoxyphenyl)-4-[6-[(6-methyl-2-pyridinyl)amino]pyridazin-3-yl]piperazine-1-carboxamide
CID 47001164
(4-bromophenyl)-[4-[6-[(6-methyl-2-pyridinyl)amino]pyridazin-3-yl]piperazin-1-yl]methanone
CID 121064797
1-[4-[6-[(6-methyl-2-pyridinyl)amino]pyridazin-3-yl]piperazin-1-yl]-2-phenylmethoxyethanone
CID 122347176
[4-[6-[(6-methyl-2-pyridinyl)amino]pyridazin-3-yl]piperazin-1-yl]-(5-phenyl-1,2-oxazol-3-yl)methanone
CID 122347126
[4-(dimethylamino)phenyl]-[4-[6-[(6-methyl-2-pyridinyl)amino]pyridazin-3-yl]piperazin-1-yl]methanone
CID 122347137

Frequently Asked Questions

What is the IUPAC name of [4-[6-[(6-methyl-2-pyridinyl)amino]pyridazin-3-yl]piperazin-1-yl]-(2-phenoxyphenyl)methanone?
The IUPAC name of [4-[6-[(6-methyl-2-pyridinyl)amino]pyridazin-3-yl]piperazin-1-yl]-(2-phenoxyphenyl)methanone (CID 122347092) is [4-[6-[(6-methyl-2-pyridinyl)amino]pyridazin-3-yl]piperazin-1-yl]-(2-phenoxyphenyl)methanone.
What is the SMILES notation for [4-[6-[(6-methyl-2-pyridinyl)amino]pyridazin-3-yl]piperazin-1-yl]-(2-phenoxyphenyl)methanone?
The canonical SMILES for [4-[6-[(6-methyl-2-pyridinyl)amino]pyridazin-3-yl]piperazin-1-yl]-(2-phenoxyphenyl)methanone is Cc1cccc(Nc2ccc(N3CCN(C(=O)c4ccccc4Oc4ccccc4)CC3)nn2)n1.
What is the InChIKey of [4-[6-[(6-methyl-2-pyridinyl)amino]pyridazin-3-yl]piperazin-1-yl]-(2-phenoxyphenyl)methanone?
The InChIKey is MDZMMMLOOQSGQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26N6O2/c1-20-8-7-13-24(28-20)29-25-14-15-26(31-30-25)32-16-18-33(19-17-32)27(34)22-11-5-6-12-23(22)35-21-9-3-2-4-10-21/h2-15H,16-19H2,1H3,(H,28,29,30).
What are the key properties of [4-[6-[(6-methyl-2-pyridinyl)amino]pyridazin-3-yl]piperazin-1-yl]-(2-phenoxyphenyl)methanone?
[4-[6-[(6-methyl-2-pyridinyl)amino]pyridazin-3-yl]piperazin-1-yl]-(2-phenoxyphenyl)methanone has a molecular weight of 466.55 g/mol, XLogP of 4.68, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[6-[(6-methyl-2-pyridinyl)amino]pyridazin-3-yl]piperazin-1-yl]-(2-phenoxyphenyl)methanone is sourced from PubChem (CID 122347092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).