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

C27H35N7O2 — CID 59191465

IUPAC5-[(2R)-4-(6-benzyl-4,5-dimethylpyridazin-3-yl)-2-methylpiperazin-1-yl]-N-(1-hydroxy-2-methylpropan-2-yl)pyrazine-2-carboxamide
SMILESCc1c(Cc2ccccc2)nnc(N2CCN(c3cnc(C(=O)NC(C)(C)CO)cn3)[C@H](C)C2)c1C
InChIInChI=1S/C27H35N7O2/c1-18-16-33(25-20(3)19(2)22(31-32-25)13-21-9-7-6-8-10-21)11-12-34(18)24-15-28-23(14-29-24)26(36)30-27(4,5)17-35/h6-10,14-15,18,35H,11-13,16-17H2,1-5H3,(H,30,36)/t18-/m1/s1
InChIKeyIIKAHVDOSHVIAM-GOSISDBHSA-N
MW489.62 g/mol
LogP2.69
Rot. Bonds7

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

5-[(2R)-4-(6-benzyl-4,5-dimethylpyridazin-3-yl)-2-methylpiperazin-1-yl]-N-(1-hydroxy-2-methylpropan-2-yl)pyrazine-2-carboxamide (PubChem CID 59191465) has the molecular formula C27H35N7O2 and a molecular weight of 489.62 g/mol. Its IUPAC name is 5-[(2R)-4-(6-benzyl-4,5-dimethylpyridazin-3-yl)-2-methylpiperazin-1-yl]-N-(1-hydroxy-2-methylpropan-2-yl)pyrazine-2-carboxamide.

Molecular Properties

Compound Name5-[(2R)-4-(6-benzyl-4,5-dimethylpyridazin-3-yl)-2-methylpiperazin-1-yl]-N-(1-hydroxy-2-methylpropan-2-yl)pyrazine-2-carboxamide
PubChem CID59191465
Molecular FormulaC27H35N7O2
Molecular Weight489.62 g/mol
Exact Mass489.29
IUPAC Name5-[(2R)-4-(6-benzyl-4,5-dimethylpyridazin-3-yl)-2-methylpiperazin-1-yl]-N-(1-hydroxy-2-methylpropan-2-yl)pyrazine-2-carboxamide
SMILESCc1c(Cc2ccccc2)nnc(N2CCN(c3cnc(C(=O)NC(C)(C)CO)cn3)[C@H](C)C2)c1C
InChIInChI=1S/C27H35N7O2/c1-18-16-33(25-20(3)19(2)22(31-32-25)13-21-9-7-6-8-10-21)11-12-34(18)24-15-28-23(14-29-24)26(36)30-27(4,5)17-35/h6-10,14-15,18,35H,11-13,16-17H2,1-5H3,(H,30,36)/t18-/m1/s1
InChIKeyIIKAHVDOSHVIAM-GOSISDBHSA-N
XLogP2.69
TPSA107.37 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.62
LogP ≤ 52.69
H-Bond Donors ≤ 52
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-(1-hydroxy-2-methylpropan-2-yl)pyrazine-2-carboxamide?
The IUPAC name of 5-[(2R)-4-(6-benzyl-4,5-dimethylpyridazin-3-yl)-2-methylpiperazin-1-yl]-N-(1-hydroxy-2-methylpropan-2-yl)pyrazine-2-carboxamide (CID 59191465) is 5-[(2R)-4-(6-benzyl-4,5-dimethylpyridazin-3-yl)-2-methylpiperazin-1-yl]-N-(1-hydroxy-2-methylpropan-2-yl)pyrazine-2-carboxamide.
What is the SMILES notation for 5-[(2R)-4-(6-benzyl-4,5-dimethylpyridazin-3-yl)-2-methylpiperazin-1-yl]-N-(1-hydroxy-2-methylpropan-2-yl)pyrazine-2-carboxamide?
The canonical SMILES for 5-[(2R)-4-(6-benzyl-4,5-dimethylpyridazin-3-yl)-2-methylpiperazin-1-yl]-N-(1-hydroxy-2-methylpropan-2-yl)pyrazine-2-carboxamide is Cc1c(Cc2ccccc2)nnc(N2CCN(c3cnc(C(=O)NC(C)(C)CO)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-(1-hydroxy-2-methylpropan-2-yl)pyrazine-2-carboxamide?
The InChIKey is IIKAHVDOSHVIAM-GOSISDBHSA-N. The full InChI is InChI=1S/C27H35N7O2/c1-18-16-33(25-20(3)19(2)22(31-32-25)13-21-9-7-6-8-10-21)11-12-34(18)24-15-28-23(14-29-24)26(36)30-27(4,5)17-35/h6-10,14-15,18,35H,11-13,16-17H2,1-5H3,(H,30,36)/t18-/m1/s1.
What are the key properties of 5-[(2R)-4-(6-benzyl-4,5-dimethylpyridazin-3-yl)-2-methylpiperazin-1-yl]-N-(1-hydroxy-2-methylpropan-2-yl)pyrazine-2-carboxamide?
5-[(2R)-4-(6-benzyl-4,5-dimethylpyridazin-3-yl)-2-methylpiperazin-1-yl]-N-(1-hydroxy-2-methylpropan-2-yl)pyrazine-2-carboxamide has a molecular weight of 489.62 g/mol, XLogP of 2.69, 7 rotatable bonds, 2 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-(1-hydroxy-2-methylpropan-2-yl)pyrazine-2-carboxamide is sourced from PubChem (CID 59191465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).