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

C27H35N7O — CID 59191508

IUPAC5-[(2R)-4-(6-benzyl-4,5-dimethylpyridazin-3-yl)-2-methylpiperazin-1-yl]-N-(2-methylpropyl)pyrazine-2-carboxamide
SMILESCc1c(Cc2ccccc2)nnc(N2CCN(c3cnc(C(=O)NCC(C)C)cn3)[C@H](C)C2)c1C
InChIInChI=1S/C27H35N7O/c1-18(2)14-30-27(35)24-15-29-25(16-28-24)34-12-11-33(17-19(34)3)26-21(5)20(4)23(31-32-26)13-22-9-7-6-8-10-22/h6-10,15-16,18-19H,11-14,17H2,1-5H3,(H,30,35)/t19-/m1/s1
InChIKeyKNIRQAJTBSVZFK-LJQANCHMSA-N
MW473.63 g/mol
LogP3.58
Rot. Bonds7

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

5-[(2R)-4-(6-benzyl-4,5-dimethylpyridazin-3-yl)-2-methylpiperazin-1-yl]-N-(2-methylpropyl)pyrazine-2-carboxamide (PubChem CID 59191508) has the molecular formula C27H35N7O and a molecular weight of 473.63 g/mol. Its IUPAC name is 5-[(2R)-4-(6-benzyl-4,5-dimethylpyridazin-3-yl)-2-methylpiperazin-1-yl]-N-(2-methylpropyl)pyrazine-2-carboxamide.

Molecular Properties

Compound Name5-[(2R)-4-(6-benzyl-4,5-dimethylpyridazin-3-yl)-2-methylpiperazin-1-yl]-N-(2-methylpropyl)pyrazine-2-carboxamide
PubChem CID59191508
Molecular FormulaC27H35N7O
Molecular Weight473.63 g/mol
Exact Mass473.29
IUPAC Name5-[(2R)-4-(6-benzyl-4,5-dimethylpyridazin-3-yl)-2-methylpiperazin-1-yl]-N-(2-methylpropyl)pyrazine-2-carboxamide
SMILESCc1c(Cc2ccccc2)nnc(N2CCN(c3cnc(C(=O)NCC(C)C)cn3)[C@H](C)C2)c1C
InChIInChI=1S/C27H35N7O/c1-18(2)14-30-27(35)24-15-29-25(16-28-24)34-12-11-33(17-19(34)3)26-21(5)20(4)23(31-32-26)13-22-9-7-6-8-10-22/h6-10,15-16,18-19H,11-14,17H2,1-5H3,(H,30,35)/t19-/m1/s1
InChIKeyKNIRQAJTBSVZFK-LJQANCHMSA-N
XLogP3.58
TPSA87.14 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.63
LogP ≤ 53.58
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-(2-methylpropyl)pyrazine-2-carboxamide?
The IUPAC name of 5-[(2R)-4-(6-benzyl-4,5-dimethylpyridazin-3-yl)-2-methylpiperazin-1-yl]-N-(2-methylpropyl)pyrazine-2-carboxamide (CID 59191508) is 5-[(2R)-4-(6-benzyl-4,5-dimethylpyridazin-3-yl)-2-methylpiperazin-1-yl]-N-(2-methylpropyl)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-methylpropyl)pyrazine-2-carboxamide?
The canonical SMILES for 5-[(2R)-4-(6-benzyl-4,5-dimethylpyridazin-3-yl)-2-methylpiperazin-1-yl]-N-(2-methylpropyl)pyrazine-2-carboxamide is Cc1c(Cc2ccccc2)nnc(N2CCN(c3cnc(C(=O)NCC(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-(2-methylpropyl)pyrazine-2-carboxamide?
The InChIKey is KNIRQAJTBSVZFK-LJQANCHMSA-N. The full InChI is InChI=1S/C27H35N7O/c1-18(2)14-30-27(35)24-15-29-25(16-28-24)34-12-11-33(17-19(34)3)26-21(5)20(4)23(31-32-26)13-22-9-7-6-8-10-22/h6-10,15-16,18-19H,11-14,17H2,1-5H3,(H,30,35)/t19-/m1/s1.
What are the key properties of 5-[(2R)-4-(6-benzyl-4,5-dimethylpyridazin-3-yl)-2-methylpiperazin-1-yl]-N-(2-methylpropyl)pyrazine-2-carboxamide?
5-[(2R)-4-(6-benzyl-4,5-dimethylpyridazin-3-yl)-2-methylpiperazin-1-yl]-N-(2-methylpropyl)pyrazine-2-carboxamide has a molecular weight of 473.63 g/mol, XLogP of 3.58, 7 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-(2-methylpropyl)pyrazine-2-carboxamide is sourced from PubChem (CID 59191508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).