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

C27H33N7O2 — CID 59191622

IUPAC[5-[(2R)-4-(6-benzyl-4,5-dimethylpyridazin-3-yl)-2-methylpiperazin-1-yl]pyrazin-2-yl]-morpholin-4-ylmethanone
SMILESCc1c(Cc2ccccc2)nnc(N2CCN(c3cnc(C(=O)N4CCOCC4)cn3)[C@H](C)C2)c1C
InChIInChI=1S/C27H33N7O2/c1-19-18-33(26-21(3)20(2)23(30-31-26)15-22-7-5-4-6-8-22)9-10-34(19)25-17-28-24(16-29-25)27(35)32-11-13-36-14-12-32/h4-8,16-17,19H,9-15,18H2,1-3H3/t19-/m1/s1
InChIKeyWFCIUZNEBQUHJS-LJQANCHMSA-N
MW487.61 g/mol
LogP2.66
Rot. Bonds5

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

[5-[(2R)-4-(6-benzyl-4,5-dimethylpyridazin-3-yl)-2-methylpiperazin-1-yl]pyrazin-2-yl]-morpholin-4-ylmethanone (PubChem CID 59191622) has the molecular formula C27H33N7O2 and a molecular weight of 487.61 g/mol. Its IUPAC name is [5-[(2R)-4-(6-benzyl-4,5-dimethylpyridazin-3-yl)-2-methylpiperazin-1-yl]pyrazin-2-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[5-[(2R)-4-(6-benzyl-4,5-dimethylpyridazin-3-yl)-2-methylpiperazin-1-yl]pyrazin-2-yl]-morpholin-4-ylmethanone
PubChem CID59191622
Molecular FormulaC27H33N7O2
Molecular Weight487.61 g/mol
Exact Mass487.27
IUPAC Name[5-[(2R)-4-(6-benzyl-4,5-dimethylpyridazin-3-yl)-2-methylpiperazin-1-yl]pyrazin-2-yl]-morpholin-4-ylmethanone
SMILESCc1c(Cc2ccccc2)nnc(N2CCN(c3cnc(C(=O)N4CCOCC4)cn3)[C@H](C)C2)c1C
InChIInChI=1S/C27H33N7O2/c1-19-18-33(26-21(3)20(2)23(30-31-26)15-22-7-5-4-6-8-22)9-10-34(19)25-17-28-24(16-29-25)27(35)32-11-13-36-14-12-32/h4-8,16-17,19H,9-15,18H2,1-3H3/t19-/m1/s1
InChIKeyWFCIUZNEBQUHJS-LJQANCHMSA-N
XLogP2.66
TPSA87.58 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.61
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

[5-[(2R)-4-(6-benzyl-4,5-dimethylpyridazin-3-yl)-2-methylpiperazin-1-yl]pyrazin-2-yl]-[4-(2-hydroxyethyl)piperidin-1-yl]methanone
CID 59191591
5-[(2R)-4-(6-benzyl-4,5-dimethylpyridazin-3-yl)-2-methylpiperazin-1-yl]-N-ethylpyrazine-2-carboxamide
CID 71005638
5-[(2R)-4-(6-benzyl-4,5-dimethylpyridazin-3-yl)-2-methylpiperazin-1-yl]-N-(2-hydroxypropyl)pyrazine-2-carboxamide
CID 59191634
5-[4-(6-benzyl-4,5-dimethylpyridazin-3-yl)-2-methylpiperazin-1-yl]-N-(2-hydroxyethyl)-N-methylpyrazine-2-carboxamide
CID 72539396
5-[(2R)-4-(6-benzyl-4,5-dimethylpyridazin-3-yl)-2-methylpiperazin-1-yl]-N-(3-hydroxypropyl)pyrazine-2-carboxamide
CID 59191590
1-[5-[4-(6-benzyl-4,5-dimethylpyridazin-3-yl)-2-methylpiperazin-1-yl]pyrazin-2-yl]ethanol
CID 72539382
methyl 5-[(2R)-4-[4,5-dimethyl-6-(pyridin-4-ylmethyl)pyridazin-3-yl]-2-methylpiperazin-1-yl]pyrazine-2-carboxylate
CID 59191557
methyl 5-[(2R)-4-[4,5-dimethyl-6-(pyridin-3-ylmethyl)pyridazin-3-yl]-2-methylpiperazin-1-yl]pyrazine-2-carboxylate
CID 59191572
1-[5-[4-(6-benzyl-4,5-dimethylpyridazin-3-yl)-2-ethylpiperazin-1-yl]pyrazin-2-yl]ethanone
CID 72539377
5-[(2R)-4-[6-(cyclohexa-1,5-dien-1-ylmethyl)-4,5-dimethylpyridazin-3-yl]-2-methylpiperazin-1-yl]pyrazine-2-carboxylic acid
CID 143926374
1-[5-[(2R)-4-[6-(cyclohexa-1,5-dien-1-ylmethyl)-4,5-dimethylpyridazin-3-yl]-2-methylpiperazin-1-yl]pyrazin-2-yl]ethanone
CID 143926362
2-[5-[(2R)-4-(6-benzyl-4,5-dimethylpyridazin-3-yl)-2-ethylpiperazin-1-yl]pyrazin-2-yl]propan-2-ol
CID 45100670

Frequently Asked Questions

What is the IUPAC name of [5-[(2R)-4-(6-benzyl-4,5-dimethylpyridazin-3-yl)-2-methylpiperazin-1-yl]pyrazin-2-yl]-morpholin-4-ylmethanone?
The IUPAC name of [5-[(2R)-4-(6-benzyl-4,5-dimethylpyridazin-3-yl)-2-methylpiperazin-1-yl]pyrazin-2-yl]-morpholin-4-ylmethanone (CID 59191622) is [5-[(2R)-4-(6-benzyl-4,5-dimethylpyridazin-3-yl)-2-methylpiperazin-1-yl]pyrazin-2-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [5-[(2R)-4-(6-benzyl-4,5-dimethylpyridazin-3-yl)-2-methylpiperazin-1-yl]pyrazin-2-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [5-[(2R)-4-(6-benzyl-4,5-dimethylpyridazin-3-yl)-2-methylpiperazin-1-yl]pyrazin-2-yl]-morpholin-4-ylmethanone is Cc1c(Cc2ccccc2)nnc(N2CCN(c3cnc(C(=O)N4CCOCC4)cn3)[C@H](C)C2)c1C.
What is the InChIKey of [5-[(2R)-4-(6-benzyl-4,5-dimethylpyridazin-3-yl)-2-methylpiperazin-1-yl]pyrazin-2-yl]-morpholin-4-ylmethanone?
The InChIKey is WFCIUZNEBQUHJS-LJQANCHMSA-N. The full InChI is InChI=1S/C27H33N7O2/c1-19-18-33(26-21(3)20(2)23(30-31-26)15-22-7-5-4-6-8-22)9-10-34(19)25-17-28-24(16-29-25)27(35)32-11-13-36-14-12-32/h4-8,16-17,19H,9-15,18H2,1-3H3/t19-/m1/s1.
What are the key properties of [5-[(2R)-4-(6-benzyl-4,5-dimethylpyridazin-3-yl)-2-methylpiperazin-1-yl]pyrazin-2-yl]-morpholin-4-ylmethanone?
[5-[(2R)-4-(6-benzyl-4,5-dimethylpyridazin-3-yl)-2-methylpiperazin-1-yl]pyrazin-2-yl]-morpholin-4-ylmethanone has a molecular weight of 487.61 g/mol, XLogP of 2.66, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[(2R)-4-(6-benzyl-4,5-dimethylpyridazin-3-yl)-2-methylpiperazin-1-yl]pyrazin-2-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 59191622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).