methyl 5-[(2R)-4-[4,5-dimethyl-6-(pyridin-4-ylmethyl)pyridazin-3-yl]-2-methylpiperazin-1-yl]pyrazine-2-carboxylate

C23H27N7O2 — CID 59191557

IUPACmethyl 5-[(2R)-4-[4,5-dimethyl-6-(pyridin-4-ylmethyl)pyridazin-3-yl]-2-methylpiperazin-1-yl]pyrazine-2-carboxylate
SMILESCOC(=O)c1cnc(N2CCN(c3nnc(Cc4ccncc4)c(C)c3C)C[C@H]2C)cn1
InChIInChI=1S/C23H27N7O2/c1-15-14-29(9-10-30(15)21-13-25-20(12-26-21)23(31)32-4)22-17(3)16(2)19(27-28-22)11-18-5-7-24-8-6-18/h5-8,12-13,15H,9-11,14H2,1-4H3/t15-/m1/s1
InChIKeyZPTZVVANNRCNBO-OAHLLOKOSA-N
MW433.52 g/mol
LogP2.37
Rot. Bonds5

About methyl 5-[(2R)-4-[4,5-dimethyl-6-(pyridin-4-ylmethyl)pyridazin-3-yl]-2-methylpiperazin-1-yl]pyrazine-2-carboxylate

methyl 5-[(2R)-4-[4,5-dimethyl-6-(pyridin-4-ylmethyl)pyridazin-3-yl]-2-methylpiperazin-1-yl]pyrazine-2-carboxylate (PubChem CID 59191557) has the molecular formula C23H27N7O2 and a molecular weight of 433.52 g/mol. Its IUPAC name is methyl 5-[(2R)-4-[4,5-dimethyl-6-(pyridin-4-ylmethyl)pyridazin-3-yl]-2-methylpiperazin-1-yl]pyrazine-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-[(2R)-4-[4,5-dimethyl-6-(pyridin-4-ylmethyl)pyridazin-3-yl]-2-methylpiperazin-1-yl]pyrazine-2-carboxylate
PubChem CID59191557
Molecular FormulaC23H27N7O2
Molecular Weight433.52 g/mol
Exact Mass433.22
IUPAC Namemethyl 5-[(2R)-4-[4,5-dimethyl-6-(pyridin-4-ylmethyl)pyridazin-3-yl]-2-methylpiperazin-1-yl]pyrazine-2-carboxylate
SMILESCOC(=O)c1cnc(N2CCN(c3nnc(Cc4ccncc4)c(C)c3C)C[C@H]2C)cn1
InChIInChI=1S/C23H27N7O2/c1-15-14-29(9-10-30(15)21-13-25-20(12-26-21)23(31)32-4)22-17(3)16(2)19(27-28-22)11-18-5-7-24-8-6-18/h5-8,12-13,15H,9-11,14H2,1-4H3/t15-/m1/s1
InChIKeyZPTZVVANNRCNBO-OAHLLOKOSA-N
XLogP2.37
TPSA97.23 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.52
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze methyl 5-[(2R)-4-[4,5-dimethyl-6-(pyridin-4-ylmethyl)pyridazin-3-yl]-2-methylpiperazin-1-yl]pyrazine-2-carboxylate with MolForge

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Related Compounds

methyl 5-[(2R)-4-[4,5-dimethyl-6-(pyridin-3-ylmethyl)pyridazin-3-yl]-2-methylpiperazin-1-yl]pyrazine-2-carboxylate
CID 59191572
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]-morpholin-4-ylmethanone
CID 59191622
5-[4-(6-benzyl-4,5-dimethylpyridazin-3-yl)-2-methylpiperazin-1-yl]-N-(2-hydroxyethyl)-N-methylpyrazine-2-carboxamide
CID 72539396
methyl 5-[4-[6-[(R)-hydroxy(phenyl)methyl]-4,5-dimethylpyridazin-3-yl]-2-methylpiperazin-1-yl]pyrazine-2-carboxylate
CID 67179326
[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-(cyclohexa-1,5-dien-1-ylmethyl)-4,5-dimethylpyridazin-3-yl]-2-methylpiperazin-1-yl]pyrazine-2-carboxylic acid
CID 143926374
1-[5-[4-(6-benzyl-4,5-dimethylpyridazin-3-yl)-2-methylpiperazin-1-yl]pyrazin-2-yl]ethanol
CID 72539382
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
1-[5-[4-(6-benzyl-4,5-dimethylpyridazin-3-yl)-2-ethylpiperazin-1-yl]pyrazin-2-yl]ethanone
CID 72539377

Frequently Asked Questions

What is the IUPAC name of methyl 5-[(2R)-4-[4,5-dimethyl-6-(pyridin-4-ylmethyl)pyridazin-3-yl]-2-methylpiperazin-1-yl]pyrazine-2-carboxylate?
The IUPAC name of methyl 5-[(2R)-4-[4,5-dimethyl-6-(pyridin-4-ylmethyl)pyridazin-3-yl]-2-methylpiperazin-1-yl]pyrazine-2-carboxylate (CID 59191557) is methyl 5-[(2R)-4-[4,5-dimethyl-6-(pyridin-4-ylmethyl)pyridazin-3-yl]-2-methylpiperazin-1-yl]pyrazine-2-carboxylate.
What is the SMILES notation for methyl 5-[(2R)-4-[4,5-dimethyl-6-(pyridin-4-ylmethyl)pyridazin-3-yl]-2-methylpiperazin-1-yl]pyrazine-2-carboxylate?
The canonical SMILES for methyl 5-[(2R)-4-[4,5-dimethyl-6-(pyridin-4-ylmethyl)pyridazin-3-yl]-2-methylpiperazin-1-yl]pyrazine-2-carboxylate is COC(=O)c1cnc(N2CCN(c3nnc(Cc4ccncc4)c(C)c3C)C[C@H]2C)cn1.
What is the InChIKey of methyl 5-[(2R)-4-[4,5-dimethyl-6-(pyridin-4-ylmethyl)pyridazin-3-yl]-2-methylpiperazin-1-yl]pyrazine-2-carboxylate?
The InChIKey is ZPTZVVANNRCNBO-OAHLLOKOSA-N. The full InChI is InChI=1S/C23H27N7O2/c1-15-14-29(9-10-30(15)21-13-25-20(12-26-21)23(31)32-4)22-17(3)16(2)19(27-28-22)11-18-5-7-24-8-6-18/h5-8,12-13,15H,9-11,14H2,1-4H3/t15-/m1/s1.
What are the key properties of methyl 5-[(2R)-4-[4,5-dimethyl-6-(pyridin-4-ylmethyl)pyridazin-3-yl]-2-methylpiperazin-1-yl]pyrazine-2-carboxylate?
methyl 5-[(2R)-4-[4,5-dimethyl-6-(pyridin-4-ylmethyl)pyridazin-3-yl]-2-methylpiperazin-1-yl]pyrazine-2-carboxylate has a molecular weight of 433.52 g/mol, XLogP of 2.37, 5 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[(2R)-4-[4,5-dimethyl-6-(pyridin-4-ylmethyl)pyridazin-3-yl]-2-methylpiperazin-1-yl]pyrazine-2-carboxylate is sourced from PubChem (CID 59191557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).