5-[(2R)-4-(6-benzyl-4,5-dimethylpyridazin-3-yl)-2-methylpiperazin-1-yl]-N-propan-2-ylpyrazine-2-carboxamide

C26H33N7O — CID 59191611

IUPAC5-[(2R)-4-(6-benzyl-4,5-dimethylpyridazin-3-yl)-2-methylpiperazin-1-yl]-N-propan-2-ylpyrazine-2-carboxamide
SMILESCc1c(Cc2ccccc2)nnc(N2CCN(c3cnc(C(=O)NC(C)C)cn3)[C@H](C)C2)c1C
InChIInChI=1S/C26H33N7O/c1-17(2)29-26(34)23-14-28-24(15-27-23)33-12-11-32(16-18(33)3)25-20(5)19(4)22(30-31-25)13-21-9-7-6-8-10-21/h6-10,14-15,17-18H,11-13,16H2,1-5H3,(H,29,34)/t18-/m1/s1
InChIKeyOQUABSTXPLIQBO-GOSISDBHSA-N
MW459.60 g/mol
LogP3.33
Rot. Bonds6

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

5-[(2R)-4-(6-benzyl-4,5-dimethylpyridazin-3-yl)-2-methylpiperazin-1-yl]-N-propan-2-ylpyrazine-2-carboxamide (PubChem CID 59191611) has the molecular formula C26H33N7O and a molecular weight of 459.60 g/mol. Its IUPAC name is 5-[(2R)-4-(6-benzyl-4,5-dimethylpyridazin-3-yl)-2-methylpiperazin-1-yl]-N-propan-2-ylpyrazine-2-carboxamide.

Molecular Properties

Compound Name5-[(2R)-4-(6-benzyl-4,5-dimethylpyridazin-3-yl)-2-methylpiperazin-1-yl]-N-propan-2-ylpyrazine-2-carboxamide
PubChem CID59191611
Molecular FormulaC26H33N7O
Molecular Weight459.60 g/mol
Exact Mass459.27
IUPAC Name5-[(2R)-4-(6-benzyl-4,5-dimethylpyridazin-3-yl)-2-methylpiperazin-1-yl]-N-propan-2-ylpyrazine-2-carboxamide
SMILESCc1c(Cc2ccccc2)nnc(N2CCN(c3cnc(C(=O)NC(C)C)cn3)[C@H](C)C2)c1C
InChIInChI=1S/C26H33N7O/c1-17(2)29-26(34)23-14-28-24(15-27-23)33-12-11-32(16-18(33)3)25-20(5)19(4)22(30-31-25)13-21-9-7-6-8-10-21/h6-10,14-15,17-18H,11-13,16H2,1-5H3,(H,29,34)/t18-/m1/s1
InChIKeyOQUABSTXPLIQBO-GOSISDBHSA-N
XLogP3.33
TPSA87.14 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.60
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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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-propan-2-ylpyrazine-2-carboxamide?
The IUPAC name of 5-[(2R)-4-(6-benzyl-4,5-dimethylpyridazin-3-yl)-2-methylpiperazin-1-yl]-N-propan-2-ylpyrazine-2-carboxamide (CID 59191611) is 5-[(2R)-4-(6-benzyl-4,5-dimethylpyridazin-3-yl)-2-methylpiperazin-1-yl]-N-propan-2-ylpyrazine-2-carboxamide.
What is the SMILES notation for 5-[(2R)-4-(6-benzyl-4,5-dimethylpyridazin-3-yl)-2-methylpiperazin-1-yl]-N-propan-2-ylpyrazine-2-carboxamide?
The canonical SMILES for 5-[(2R)-4-(6-benzyl-4,5-dimethylpyridazin-3-yl)-2-methylpiperazin-1-yl]-N-propan-2-ylpyrazine-2-carboxamide is Cc1c(Cc2ccccc2)nnc(N2CCN(c3cnc(C(=O)NC(C)C)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-propan-2-ylpyrazine-2-carboxamide?
The InChIKey is OQUABSTXPLIQBO-GOSISDBHSA-N. The full InChI is InChI=1S/C26H33N7O/c1-17(2)29-26(34)23-14-28-24(15-27-23)33-12-11-32(16-18(33)3)25-20(5)19(4)22(30-31-25)13-21-9-7-6-8-10-21/h6-10,14-15,17-18H,11-13,16H2,1-5H3,(H,29,34)/t18-/m1/s1.
What are the key properties of 5-[(2R)-4-(6-benzyl-4,5-dimethylpyridazin-3-yl)-2-methylpiperazin-1-yl]-N-propan-2-ylpyrazine-2-carboxamide?
5-[(2R)-4-(6-benzyl-4,5-dimethylpyridazin-3-yl)-2-methylpiperazin-1-yl]-N-propan-2-ylpyrazine-2-carboxamide has a molecular weight of 459.60 g/mol, XLogP of 3.33, 6 rotatable bonds, 1 hydrogen bond donors, and 7 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-propan-2-ylpyrazine-2-carboxamide is sourced from PubChem (CID 59191611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).