5-[(2R)-4-(6-benzyl-4,5-dimethylpyridazin-3-yl)-2-methylpiperazin-1-yl]-N-(2-pyridin-2-ylethyl)pyrazine-2-carboxamide

C30H34N8O — CID 59191610

IUPAC5-[(2R)-4-(6-benzyl-4,5-dimethylpyridazin-3-yl)-2-methylpiperazin-1-yl]-N-(2-pyridin-2-ylethyl)pyrazine-2-carboxamide
SMILESCc1c(Cc2ccccc2)nnc(N2CCN(c3cnc(C(=O)NCCc4ccccn4)cn3)[C@H](C)C2)c1C
InChIInChI=1S/C30H34N8O/c1-21-20-37(29-23(3)22(2)26(35-36-29)17-24-9-5-4-6-10-24)15-16-38(21)28-19-33-27(18-34-28)30(39)32-14-12-25-11-7-8-13-31-25/h4-11,13,18-19,21H,12,14-17,20H2,1-3H3,(H,32,39)/t21-/m1/s1
InChIKeyYEIAKAGSDSWUJJ-OAQYLSRUSA-N
MW522.66 g/mol
LogP3.56
Rot. Bonds8

About 5-[(2R)-4-(6-benzyl-4,5-dimethylpyridazin-3-yl)-2-methylpiperazin-1-yl]-N-(2-pyridin-2-ylethyl)pyrazine-2-carboxamide

5-[(2R)-4-(6-benzyl-4,5-dimethylpyridazin-3-yl)-2-methylpiperazin-1-yl]-N-(2-pyridin-2-ylethyl)pyrazine-2-carboxamide (PubChem CID 59191610) has the molecular formula C30H34N8O and a molecular weight of 522.66 g/mol. Its IUPAC name is 5-[(2R)-4-(6-benzyl-4,5-dimethylpyridazin-3-yl)-2-methylpiperazin-1-yl]-N-(2-pyridin-2-ylethyl)pyrazine-2-carboxamide.

Molecular Properties

Compound Name5-[(2R)-4-(6-benzyl-4,5-dimethylpyridazin-3-yl)-2-methylpiperazin-1-yl]-N-(2-pyridin-2-ylethyl)pyrazine-2-carboxamide
PubChem CID59191610
Molecular FormulaC30H34N8O
Molecular Weight522.66 g/mol
Exact Mass522.29
IUPAC Name5-[(2R)-4-(6-benzyl-4,5-dimethylpyridazin-3-yl)-2-methylpiperazin-1-yl]-N-(2-pyridin-2-ylethyl)pyrazine-2-carboxamide
SMILESCc1c(Cc2ccccc2)nnc(N2CCN(c3cnc(C(=O)NCCc4ccccn4)cn3)[C@H](C)C2)c1C
InChIInChI=1S/C30H34N8O/c1-21-20-37(29-23(3)22(2)26(35-36-29)17-24-9-5-4-6-10-24)15-16-38(21)28-19-33-27(18-34-28)30(39)32-14-12-25-11-7-8-13-31-25/h4-11,13,18-19,21H,12,14-17,20H2,1-3H3,(H,32,39)/t21-/m1/s1
InChIKeyYEIAKAGSDSWUJJ-OAQYLSRUSA-N
XLogP3.56
TPSA100.03 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500522.66
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5-[(2R)-4-(6-benzyl-4,5-dimethylpyridazin-3-yl)-2-methylpiperazin-1-yl]-N-(2-pyridin-2-ylethyl)pyrazine-2-carboxamide?
The IUPAC name of 5-[(2R)-4-(6-benzyl-4,5-dimethylpyridazin-3-yl)-2-methylpiperazin-1-yl]-N-(2-pyridin-2-ylethyl)pyrazine-2-carboxamide (CID 59191610) is 5-[(2R)-4-(6-benzyl-4,5-dimethylpyridazin-3-yl)-2-methylpiperazin-1-yl]-N-(2-pyridin-2-ylethyl)pyrazine-2-carboxamide.
What is the SMILES notation for 5-[(2R)-4-(6-benzyl-4,5-dimethylpyridazin-3-yl)-2-methylpiperazin-1-yl]-N-(2-pyridin-2-ylethyl)pyrazine-2-carboxamide?
The canonical SMILES for 5-[(2R)-4-(6-benzyl-4,5-dimethylpyridazin-3-yl)-2-methylpiperazin-1-yl]-N-(2-pyridin-2-ylethyl)pyrazine-2-carboxamide is Cc1c(Cc2ccccc2)nnc(N2CCN(c3cnc(C(=O)NCCc4ccccn4)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]-N-(2-pyridin-2-ylethyl)pyrazine-2-carboxamide?
The InChIKey is YEIAKAGSDSWUJJ-OAQYLSRUSA-N. The full InChI is InChI=1S/C30H34N8O/c1-21-20-37(29-23(3)22(2)26(35-36-29)17-24-9-5-4-6-10-24)15-16-38(21)28-19-33-27(18-34-28)30(39)32-14-12-25-11-7-8-13-31-25/h4-11,13,18-19,21H,12,14-17,20H2,1-3H3,(H,32,39)/t21-/m1/s1.
What are the key properties of 5-[(2R)-4-(6-benzyl-4,5-dimethylpyridazin-3-yl)-2-methylpiperazin-1-yl]-N-(2-pyridin-2-ylethyl)pyrazine-2-carboxamide?
5-[(2R)-4-(6-benzyl-4,5-dimethylpyridazin-3-yl)-2-methylpiperazin-1-yl]-N-(2-pyridin-2-ylethyl)pyrazine-2-carboxamide has a molecular weight of 522.66 g/mol, XLogP of 3.56, 8 rotatable bonds, 1 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]-N-(2-pyridin-2-ylethyl)pyrazine-2-carboxamide is sourced from PubChem (CID 59191610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).