[4-[6-[(5-methyl-2-pyridinyl)amino]pyridazin-3-yl]piperazin-1-yl]-quinoxalin-2-ylmethanone

C23H22N8O — CID 122351396

IUPAC[4-[6-[(5-methyl-2-pyridinyl)amino]pyridazin-3-yl]piperazin-1-yl]-quinoxalin-2-ylmethanone
SMILESCc1ccc(Nc2ccc(N3CCN(C(=O)c4cnc5ccccc5n4)CC3)nn2)nc1
InChIInChI=1S/C23H22N8O/c1-16-6-7-20(25-14-16)27-21-8-9-22(29-28-21)30-10-12-31(13-11-30)23(32)19-15-24-17-4-2-3-5-18(17)26-19/h2-9,14-15H,10-13H2,1H3,(H,25,27,28)
InChIKeyWEFOAWOHUUPDDC-UHFFFAOYSA-N
MW426.48 g/mol
LogP2.83
Rot. Bonds4

About [4-[6-[(5-methyl-2-pyridinyl)amino]pyridazin-3-yl]piperazin-1-yl]-quinoxalin-2-ylmethanone

[4-[6-[(5-methyl-2-pyridinyl)amino]pyridazin-3-yl]piperazin-1-yl]-quinoxalin-2-ylmethanone (PubChem CID 122351396) has the molecular formula C23H22N8O and a molecular weight of 426.48 g/mol. Its IUPAC name is [4-[6-[(5-methyl-2-pyridinyl)amino]pyridazin-3-yl]piperazin-1-yl]-quinoxalin-2-ylmethanone.

Molecular Properties

Compound Name[4-[6-[(5-methyl-2-pyridinyl)amino]pyridazin-3-yl]piperazin-1-yl]-quinoxalin-2-ylmethanone
PubChem CID122351396
Molecular FormulaC23H22N8O
Molecular Weight426.48 g/mol
Exact Mass426.19
IUPAC Name[4-[6-[(5-methyl-2-pyridinyl)amino]pyridazin-3-yl]piperazin-1-yl]-quinoxalin-2-ylmethanone
SMILESCc1ccc(Nc2ccc(N3CCN(C(=O)c4cnc5ccccc5n4)CC3)nn2)nc1
InChIInChI=1S/C23H22N8O/c1-16-6-7-20(25-14-16)27-21-8-9-22(29-28-21)30-10-12-31(13-11-30)23(32)19-15-24-17-4-2-3-5-18(17)26-19/h2-9,14-15H,10-13H2,1H3,(H,25,27,28)
InChIKeyWEFOAWOHUUPDDC-UHFFFAOYSA-N
XLogP2.83
TPSA100.03 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.48
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze [4-[6-[(5-methyl-2-pyridinyl)amino]pyridazin-3-yl]piperazin-1-yl]-quinoxalin-2-ylmethanone with MolForge

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Launch Full Analysis

Related Compounds

[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
[4-[6-[(5-methyl-2-pyridinyl)amino]pyridazin-3-yl]piperazin-1-yl]-(5-phenyl-1,2-oxazol-3-yl)methanone
CID 122351390
(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]-N-phenylpiperazine-1-carboxamide
CID 56919619
[4-[6-[(5-methyl-2-pyridinyl)amino]pyridazin-3-yl]piperazin-1-yl]-(2,3,4-trifluorophenyl)methanone
CID 122351437
(5-methylpyrazin-2-yl)-[4-[6-(pyridin-2-ylamino)pyridazin-3-yl]piperazin-1-yl]methanone
CID 122347475
[4-[6-[(6-methyl-2-pyridinyl)amino]pyridazin-3-yl]piperazin-1-yl]-quinolin-2-ylmethanone
CID 122347093
(2-chloro-6-fluorophenyl)-[4-[6-[(5-methyl-2-pyridinyl)amino]pyridazin-3-yl]piperazin-1-yl]methanone
CID 56919528
[4-[6-methyl-2-(4-methylanilino)pyrimidin-4-yl]piperazin-1-yl]-quinoxalin-2-ylmethanone
CID 122348391
1-[4-[6-[(5-methyl-2-pyridinyl)amino]pyridazin-3-yl]piperazin-1-yl]-4-phenylbutan-1-one
CID 70702484
1-[4-[6-[(5-methyl-2-pyridinyl)amino]pyridazin-3-yl]piperazin-1-yl]-2-pyrimidin-2-yloxyethanone
CID 122351296

Frequently Asked Questions

What is the IUPAC name of [4-[6-[(5-methyl-2-pyridinyl)amino]pyridazin-3-yl]piperazin-1-yl]-quinoxalin-2-ylmethanone?
The IUPAC name of [4-[6-[(5-methyl-2-pyridinyl)amino]pyridazin-3-yl]piperazin-1-yl]-quinoxalin-2-ylmethanone (CID 122351396) is [4-[6-[(5-methyl-2-pyridinyl)amino]pyridazin-3-yl]piperazin-1-yl]-quinoxalin-2-ylmethanone.
What is the SMILES notation for [4-[6-[(5-methyl-2-pyridinyl)amino]pyridazin-3-yl]piperazin-1-yl]-quinoxalin-2-ylmethanone?
The canonical SMILES for [4-[6-[(5-methyl-2-pyridinyl)amino]pyridazin-3-yl]piperazin-1-yl]-quinoxalin-2-ylmethanone is Cc1ccc(Nc2ccc(N3CCN(C(=O)c4cnc5ccccc5n4)CC3)nn2)nc1.
What is the InChIKey of [4-[6-[(5-methyl-2-pyridinyl)amino]pyridazin-3-yl]piperazin-1-yl]-quinoxalin-2-ylmethanone?
The InChIKey is WEFOAWOHUUPDDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N8O/c1-16-6-7-20(25-14-16)27-21-8-9-22(29-28-21)30-10-12-31(13-11-30)23(32)19-15-24-17-4-2-3-5-18(17)26-19/h2-9,14-15H,10-13H2,1H3,(H,25,27,28).
What are the key properties of [4-[6-[(5-methyl-2-pyridinyl)amino]pyridazin-3-yl]piperazin-1-yl]-quinoxalin-2-ylmethanone?
[4-[6-[(5-methyl-2-pyridinyl)amino]pyridazin-3-yl]piperazin-1-yl]-quinoxalin-2-ylmethanone has a molecular weight of 426.48 g/mol, XLogP of 2.83, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[6-[(5-methyl-2-pyridinyl)amino]pyridazin-3-yl]piperazin-1-yl]-quinoxalin-2-ylmethanone is sourced from PubChem (CID 122351396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).