5-[4-(6-benzyl-4,5-dimethylpyridazin-3-yl)-2-methylpiperazin-1-yl]-N-(2-hydroxyethyl)-N-methylpyrazine-2-carboxamide

C26H33N7O2 — CID 72539396

IUPAC5-[4-(6-benzyl-4,5-dimethylpyridazin-3-yl)-2-methylpiperazin-1-yl]-N-(2-hydroxyethyl)-N-methylpyrazine-2-carboxamide
SMILESCc1c(Cc2ccccc2)nnc(N2CCN(c3cnc(C(=O)N(C)CCO)cn3)C(C)C2)c1C
InChIInChI=1S/C26H33N7O2/c1-18-17-32(25-20(3)19(2)22(29-30-25)14-21-8-6-5-7-9-21)10-11-33(18)24-16-27-23(15-28-24)26(35)31(4)12-13-34/h5-9,15-16,18,34H,10-14,17H2,1-4H3
InChIKeySTWKGGVUPRMIIS-UHFFFAOYSA-N
MW475.60 g/mol
LogP2.25
Rot. Bonds7

About 5-[4-(6-benzyl-4,5-dimethylpyridazin-3-yl)-2-methylpiperazin-1-yl]-N-(2-hydroxyethyl)-N-methylpyrazine-2-carboxamide

5-[4-(6-benzyl-4,5-dimethylpyridazin-3-yl)-2-methylpiperazin-1-yl]-N-(2-hydroxyethyl)-N-methylpyrazine-2-carboxamide (PubChem CID 72539396) has the molecular formula C26H33N7O2 and a molecular weight of 475.60 g/mol. Its IUPAC name is 5-[4-(6-benzyl-4,5-dimethylpyridazin-3-yl)-2-methylpiperazin-1-yl]-N-(2-hydroxyethyl)-N-methylpyrazine-2-carboxamide.

Molecular Properties

Compound Name5-[4-(6-benzyl-4,5-dimethylpyridazin-3-yl)-2-methylpiperazin-1-yl]-N-(2-hydroxyethyl)-N-methylpyrazine-2-carboxamide
PubChem CID72539396
Molecular FormulaC26H33N7O2
Molecular Weight475.60 g/mol
Exact Mass475.27
IUPAC Name5-[4-(6-benzyl-4,5-dimethylpyridazin-3-yl)-2-methylpiperazin-1-yl]-N-(2-hydroxyethyl)-N-methylpyrazine-2-carboxamide
SMILESCc1c(Cc2ccccc2)nnc(N2CCN(c3cnc(C(=O)N(C)CCO)cn3)C(C)C2)c1C
InChIInChI=1S/C26H33N7O2/c1-18-17-32(25-20(3)19(2)22(29-30-25)14-21-8-6-5-7-9-21)10-11-33(18)24-16-27-23(15-28-24)26(35)31(4)12-13-34/h5-9,15-16,18,34H,10-14,17H2,1-4H3
InChIKeySTWKGGVUPRMIIS-UHFFFAOYSA-N
XLogP2.25
TPSA98.58 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.60
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

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-(3-hydroxypropyl)pyrazine-2-carboxamide
CID 59191590
5-[(2R)-4-(6-benzyl-4,5-dimethylpyridazin-3-yl)-2-methylpiperazin-1-yl]-N-(2-hydroxypropyl)pyrazine-2-carboxamide
CID 59191634
[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]pyrazin-2-yl]-morpholin-4-ylmethanone
CID 59191622
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
6-[4-(4-benzylphthalazin-1-yl)piperazin-1-yl]-N-(2-hydroxyethyl)-N-methylpyridine-3-carboxamide
CID 25065065

Frequently Asked Questions

What is the IUPAC name of 5-[4-(6-benzyl-4,5-dimethylpyridazin-3-yl)-2-methylpiperazin-1-yl]-N-(2-hydroxyethyl)-N-methylpyrazine-2-carboxamide?
The IUPAC name of 5-[4-(6-benzyl-4,5-dimethylpyridazin-3-yl)-2-methylpiperazin-1-yl]-N-(2-hydroxyethyl)-N-methylpyrazine-2-carboxamide (CID 72539396) is 5-[4-(6-benzyl-4,5-dimethylpyridazin-3-yl)-2-methylpiperazin-1-yl]-N-(2-hydroxyethyl)-N-methylpyrazine-2-carboxamide.
What is the SMILES notation for 5-[4-(6-benzyl-4,5-dimethylpyridazin-3-yl)-2-methylpiperazin-1-yl]-N-(2-hydroxyethyl)-N-methylpyrazine-2-carboxamide?
The canonical SMILES for 5-[4-(6-benzyl-4,5-dimethylpyridazin-3-yl)-2-methylpiperazin-1-yl]-N-(2-hydroxyethyl)-N-methylpyrazine-2-carboxamide is Cc1c(Cc2ccccc2)nnc(N2CCN(c3cnc(C(=O)N(C)CCO)cn3)C(C)C2)c1C.
What is the InChIKey of 5-[4-(6-benzyl-4,5-dimethylpyridazin-3-yl)-2-methylpiperazin-1-yl]-N-(2-hydroxyethyl)-N-methylpyrazine-2-carboxamide?
The InChIKey is STWKGGVUPRMIIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33N7O2/c1-18-17-32(25-20(3)19(2)22(29-30-25)14-21-8-6-5-7-9-21)10-11-33(18)24-16-27-23(15-28-24)26(35)31(4)12-13-34/h5-9,15-16,18,34H,10-14,17H2,1-4H3.
What are the key properties of 5-[4-(6-benzyl-4,5-dimethylpyridazin-3-yl)-2-methylpiperazin-1-yl]-N-(2-hydroxyethyl)-N-methylpyrazine-2-carboxamide?
5-[4-(6-benzyl-4,5-dimethylpyridazin-3-yl)-2-methylpiperazin-1-yl]-N-(2-hydroxyethyl)-N-methylpyrazine-2-carboxamide has a molecular weight of 475.60 g/mol, XLogP of 2.25, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(6-benzyl-4,5-dimethylpyridazin-3-yl)-2-methylpiperazin-1-yl]-N-(2-hydroxyethyl)-N-methylpyrazine-2-carboxamide is sourced from PubChem (CID 72539396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).