[5-[(2R)-4-(6-benzyl-4,5-dimethylpyridazin-3-yl)-2-methylpiperazin-1-yl]pyrazin-2-yl]-[(2S,6R)-2,6-dimethylmorpholin-4-yl]methanone

C29H37N7O2 — CID 59191456

IUPAC[5-[(2R)-4-(6-benzyl-4,5-dimethylpyridazin-3-yl)-2-methylpiperazin-1-yl]pyrazin-2-yl]-[(2S,6R)-2,6-dimethylmorpholin-4-yl]methanone
SMILESCc1c(Cc2ccccc2)nnc(N2CCN(c3cnc(C(=O)N4C[C@@H](C)O[C@@H](C)C4)cn3)[C@H](C)C2)c1C
InChIInChI=1S/C29H37N7O2/c1-19-16-34(28-23(5)22(4)25(32-33-28)13-24-9-7-6-8-10-24)11-12-36(19)27-15-30-26(14-31-27)29(37)35-17-20(2)38-21(3)18-35/h6-10,14-15,19-21H,11-13,16-18H2,1-5H3/t19-,20-,21+/m1/s1
InChIKeyKIPURWKVNMWUGR-NJYVYQBISA-N
MW515.66 g/mol
LogP3.44
Rot. Bonds5

About [5-[(2R)-4-(6-benzyl-4,5-dimethylpyridazin-3-yl)-2-methylpiperazin-1-yl]pyrazin-2-yl]-[(2S,6R)-2,6-dimethylmorpholin-4-yl]methanone

[5-[(2R)-4-(6-benzyl-4,5-dimethylpyridazin-3-yl)-2-methylpiperazin-1-yl]pyrazin-2-yl]-[(2S,6R)-2,6-dimethylmorpholin-4-yl]methanone (PubChem CID 59191456) has the molecular formula C29H37N7O2 and a molecular weight of 515.66 g/mol. Its IUPAC name is [5-[(2R)-4-(6-benzyl-4,5-dimethylpyridazin-3-yl)-2-methylpiperazin-1-yl]pyrazin-2-yl]-[(2S,6R)-2,6-dimethylmorpholin-4-yl]methanone.

Molecular Properties

Compound Name[5-[(2R)-4-(6-benzyl-4,5-dimethylpyridazin-3-yl)-2-methylpiperazin-1-yl]pyrazin-2-yl]-[(2S,6R)-2,6-dimethylmorpholin-4-yl]methanone
PubChem CID59191456
Molecular FormulaC29H37N7O2
Molecular Weight515.66 g/mol
Exact Mass515.30
IUPAC Name[5-[(2R)-4-(6-benzyl-4,5-dimethylpyridazin-3-yl)-2-methylpiperazin-1-yl]pyrazin-2-yl]-[(2S,6R)-2,6-dimethylmorpholin-4-yl]methanone
SMILESCc1c(Cc2ccccc2)nnc(N2CCN(c3cnc(C(=O)N4C[C@@H](C)O[C@@H](C)C4)cn3)[C@H](C)C2)c1C
InChIInChI=1S/C29H37N7O2/c1-19-16-34(28-23(5)22(4)25(32-33-28)13-24-9-7-6-8-10-24)11-12-36(19)27-15-30-26(14-31-27)29(37)35-17-20(2)38-21(3)18-35/h6-10,14-15,19-21H,11-13,16-18H2,1-5H3/t19-,20-,21+/m1/s1
InChIKeyKIPURWKVNMWUGR-NJYVYQBISA-N
XLogP3.44
TPSA87.58 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500515.66
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze [5-[(2R)-4-(6-benzyl-4,5-dimethylpyridazin-3-yl)-2-methylpiperazin-1-yl]pyrazin-2-yl]-[(2S,6R)-2,6-dimethylmorpholin-4-yl]methanone with MolForge

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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]pyrazin-2-yl]-[(2S,6R)-2,6-dimethylmorpholin-4-yl]methanone?
The IUPAC name of [5-[(2R)-4-(6-benzyl-4,5-dimethylpyridazin-3-yl)-2-methylpiperazin-1-yl]pyrazin-2-yl]-[(2S,6R)-2,6-dimethylmorpholin-4-yl]methanone (CID 59191456) is [5-[(2R)-4-(6-benzyl-4,5-dimethylpyridazin-3-yl)-2-methylpiperazin-1-yl]pyrazin-2-yl]-[(2S,6R)-2,6-dimethylmorpholin-4-yl]methanone.
What is the SMILES notation for [5-[(2R)-4-(6-benzyl-4,5-dimethylpyridazin-3-yl)-2-methylpiperazin-1-yl]pyrazin-2-yl]-[(2S,6R)-2,6-dimethylmorpholin-4-yl]methanone?
The canonical SMILES for [5-[(2R)-4-(6-benzyl-4,5-dimethylpyridazin-3-yl)-2-methylpiperazin-1-yl]pyrazin-2-yl]-[(2S,6R)-2,6-dimethylmorpholin-4-yl]methanone is Cc1c(Cc2ccccc2)nnc(N2CCN(c3cnc(C(=O)N4C[C@@H](C)O[C@@H](C)C4)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]pyrazin-2-yl]-[(2S,6R)-2,6-dimethylmorpholin-4-yl]methanone?
The InChIKey is KIPURWKVNMWUGR-NJYVYQBISA-N. The full InChI is InChI=1S/C29H37N7O2/c1-19-16-34(28-23(5)22(4)25(32-33-28)13-24-9-7-6-8-10-24)11-12-36(19)27-15-30-26(14-31-27)29(37)35-17-20(2)38-21(3)18-35/h6-10,14-15,19-21H,11-13,16-18H2,1-5H3/t19-,20-,21+/m1/s1.
What are the key properties of [5-[(2R)-4-(6-benzyl-4,5-dimethylpyridazin-3-yl)-2-methylpiperazin-1-yl]pyrazin-2-yl]-[(2S,6R)-2,6-dimethylmorpholin-4-yl]methanone?
[5-[(2R)-4-(6-benzyl-4,5-dimethylpyridazin-3-yl)-2-methylpiperazin-1-yl]pyrazin-2-yl]-[(2S,6R)-2,6-dimethylmorpholin-4-yl]methanone has a molecular weight of 515.66 g/mol, XLogP of 3.44, 5 rotatable bonds, 0 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]pyrazin-2-yl]-[(2S,6R)-2,6-dimethylmorpholin-4-yl]methanone is sourced from PubChem (CID 59191456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).