1-[5-[(2R)-4-(6-benzyl-4,5-dimethylpyridazin-3-yl)-2-methylpiperazin-1-yl]pyrazin-2-yl]ethanone

C24H28N6O — CID 45107175

IUPAC1-[5-[(2R)-4-(6-benzyl-4,5-dimethylpyridazin-3-yl)-2-methylpiperazin-1-yl]pyrazin-2-yl]ethanone
SMILESCC(=O)c1cnc(N2CCN(c3nnc(Cc4ccccc4)c(C)c3C)C[C@H]2C)cn1
InChIInChI=1S/C24H28N6O/c1-16-15-29(10-11-30(16)23-14-25-22(13-26-23)19(4)31)24-18(3)17(2)21(27-28-24)12-20-8-6-5-7-9-20/h5-9,13-14,16H,10-12,15H2,1-4H3/t16-/m1/s1
InChIKeyNRLQWJRTTIZREY-MRXNPFEDSA-N
MW416.53 g/mol
LogP3.39
Rot. Bonds5

About 1-[5-[(2R)-4-(6-benzyl-4,5-dimethylpyridazin-3-yl)-2-methylpiperazin-1-yl]pyrazin-2-yl]ethanone

1-[5-[(2R)-4-(6-benzyl-4,5-dimethylpyridazin-3-yl)-2-methylpiperazin-1-yl]pyrazin-2-yl]ethanone (PubChem CID 45107175) has the molecular formula C24H28N6O and a molecular weight of 416.53 g/mol. Its IUPAC name is 1-[5-[(2R)-4-(6-benzyl-4,5-dimethylpyridazin-3-yl)-2-methylpiperazin-1-yl]pyrazin-2-yl]ethanone.

Molecular Properties

Compound Name1-[5-[(2R)-4-(6-benzyl-4,5-dimethylpyridazin-3-yl)-2-methylpiperazin-1-yl]pyrazin-2-yl]ethanone
PubChem CID45107175
Molecular FormulaC24H28N6O
Molecular Weight416.53 g/mol
Exact Mass416.23
IUPAC Name1-[5-[(2R)-4-(6-benzyl-4,5-dimethylpyridazin-3-yl)-2-methylpiperazin-1-yl]pyrazin-2-yl]ethanone
SMILESCC(=O)c1cnc(N2CCN(c3nnc(Cc4ccccc4)c(C)c3C)C[C@H]2C)cn1
InChIInChI=1S/C24H28N6O/c1-16-15-29(10-11-30(16)23-14-25-22(13-26-23)19(4)31)24-18(3)17(2)21(27-28-24)12-20-8-6-5-7-9-20/h5-9,13-14,16H,10-12,15H2,1-4H3/t16-/m1/s1
InChIKeyNRLQWJRTTIZREY-MRXNPFEDSA-N
XLogP3.39
TPSA75.11 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.53
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[5-[(2R)-4-(6-benzyl-4,5-dimethylpyridazin-3-yl)-2-methylpiperazin-1-yl]pyrazin-2-yl]ethanone?
The IUPAC name of 1-[5-[(2R)-4-(6-benzyl-4,5-dimethylpyridazin-3-yl)-2-methylpiperazin-1-yl]pyrazin-2-yl]ethanone (CID 45107175) is 1-[5-[(2R)-4-(6-benzyl-4,5-dimethylpyridazin-3-yl)-2-methylpiperazin-1-yl]pyrazin-2-yl]ethanone.
What is the SMILES notation for 1-[5-[(2R)-4-(6-benzyl-4,5-dimethylpyridazin-3-yl)-2-methylpiperazin-1-yl]pyrazin-2-yl]ethanone?
The canonical SMILES for 1-[5-[(2R)-4-(6-benzyl-4,5-dimethylpyridazin-3-yl)-2-methylpiperazin-1-yl]pyrazin-2-yl]ethanone is CC(=O)c1cnc(N2CCN(c3nnc(Cc4ccccc4)c(C)c3C)C[C@H]2C)cn1.
What is the InChIKey of 1-[5-[(2R)-4-(6-benzyl-4,5-dimethylpyridazin-3-yl)-2-methylpiperazin-1-yl]pyrazin-2-yl]ethanone?
The InChIKey is NRLQWJRTTIZREY-MRXNPFEDSA-N. The full InChI is InChI=1S/C24H28N6O/c1-16-15-29(10-11-30(16)23-14-25-22(13-26-23)19(4)31)24-18(3)17(2)21(27-28-24)12-20-8-6-5-7-9-20/h5-9,13-14,16H,10-12,15H2,1-4H3/t16-/m1/s1.
What are the key properties of 1-[5-[(2R)-4-(6-benzyl-4,5-dimethylpyridazin-3-yl)-2-methylpiperazin-1-yl]pyrazin-2-yl]ethanone?
1-[5-[(2R)-4-(6-benzyl-4,5-dimethylpyridazin-3-yl)-2-methylpiperazin-1-yl]pyrazin-2-yl]ethanone has a molecular weight of 416.53 g/mol, XLogP of 3.39, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[(2R)-4-(6-benzyl-4,5-dimethylpyridazin-3-yl)-2-methylpiperazin-1-yl]pyrazin-2-yl]ethanone is sourced from PubChem (CID 45107175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).