(8-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-2-yl)-(5-thiophen-2-yl-1H-pyrazol-4-yl)methanone

C16H21N5OS — CID 50978348

IUPAC(8-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-2-yl)-(5-thiophen-2-yl-1H-pyrazol-4-yl)methanone
SMILESCN1CCN2CCN(C(=O)c3cn[nH]c3-c3cccs3)CC2C1
InChIInChI=1S/C16H21N5OS/c1-19-4-5-20-6-7-21(11-12(20)10-19)16(22)13-9-17-18-15(13)14-3-2-8-23-14/h2-3,8-9,12H,4-7,10-11H2,1H3,(H,17,18)
InChIKeyBYRKPKQQGXACTH-UHFFFAOYSA-N
MW331.44 g/mol
LogP1.21
Rot. Bonds2

About (8-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-2-yl)-(5-thiophen-2-yl-1H-pyrazol-4-yl)methanone

(8-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-2-yl)-(5-thiophen-2-yl-1H-pyrazol-4-yl)methanone (PubChem CID 50978348) has the molecular formula C16H21N5OS and a molecular weight of 331.44 g/mol. Its IUPAC name is (8-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-2-yl)-(5-thiophen-2-yl-1H-pyrazol-4-yl)methanone.

Molecular Properties

Compound Name(8-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-2-yl)-(5-thiophen-2-yl-1H-pyrazol-4-yl)methanone
PubChem CID50978348
Molecular FormulaC16H21N5OS
Molecular Weight331.44 g/mol
Exact Mass331.15
IUPAC Name(8-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-2-yl)-(5-thiophen-2-yl-1H-pyrazol-4-yl)methanone
SMILESCN1CCN2CCN(C(=O)c3cn[nH]c3-c3cccs3)CC2C1
InChIInChI=1S/C16H21N5OS/c1-19-4-5-20-6-7-21(11-12(20)10-19)16(22)13-9-17-18-15(13)14-3-2-8-23-14/h2-3,8-9,12H,4-7,10-11H2,1H3,(H,17,18)
InChIKeyBYRKPKQQGXACTH-UHFFFAOYSA-N
XLogP1.21
TPSA55.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.44
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (8-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-2-yl)-(5-thiophen-2-yl-1H-pyrazol-4-yl)methanone with MolForge

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Launch Full Analysis

Related Compounds

(3S)-1-(5-thiophen-2-yl-1H-pyrazole-4-carbonyl)pyrrolidine-3-carboxylic acid
CID 126444333
[(3S)-3-(1H-pyrazol-5-yl)piperidin-1-yl]-(5-thiophen-2-yl-1H-pyrazol-4-yl)methanone
CID 95215058
[3-(1H-pyrazol-5-yl)piperidin-1-yl]-(5-thiophen-2-yl-1H-pyrazol-4-yl)methanone
CID 56753766
(3-benzylpiperazin-1-yl)-(5-thiophen-2-yl-1H-pyrazol-4-yl)methanone
CID 166362581
[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-(5-thiophen-2-yl-1H-pyrazol-4-yl)methanone
CID 71824781
(4-methylpiperazin-1-yl)-(5-phenyl-1H-pyrazol-4-yl)methanone
CID 60712084
3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl-[5-(1-methylpyrazol-4-yl)-1H-pyrazol-4-yl]methanone
CID 136533957
[4-(1-methylpiperidin-3-yl)piperazin-1-yl]-(5-thiophen-2-yl-1,2-oxazol-3-yl)methanone
CID 167921537
[(9aS)-8-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-2-yl]-(5-methyl-1H-imidazol-2-yl)methanone
CID 124752545
[(2R,6S)-2,6-dimethyloxan-4-yl]methyl 5-thiophen-2-yl-1H-pyrazole-4-carboxylate
CID 166360352
[(3aR,6S,7aS)-6-hydroxy-3a-methoxy-3,4,5,6,7,7a-hexahydro-2H-indol-1-yl]-(5-thiophen-2-yl-1H-pyrazol-4-yl)methanone
CID 118776041
N-cyclopentyl-5-thiophen-2-yl-1H-pyrazole-4-carboxamide
CID 71824156

Frequently Asked Questions

What is the IUPAC name of (8-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-2-yl)-(5-thiophen-2-yl-1H-pyrazol-4-yl)methanone?
The IUPAC name of (8-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-2-yl)-(5-thiophen-2-yl-1H-pyrazol-4-yl)methanone (CID 50978348) is (8-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-2-yl)-(5-thiophen-2-yl-1H-pyrazol-4-yl)methanone.
What is the SMILES notation for (8-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-2-yl)-(5-thiophen-2-yl-1H-pyrazol-4-yl)methanone?
The canonical SMILES for (8-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-2-yl)-(5-thiophen-2-yl-1H-pyrazol-4-yl)methanone is CN1CCN2CCN(C(=O)c3cn[nH]c3-c3cccs3)CC2C1.
What is the InChIKey of (8-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-2-yl)-(5-thiophen-2-yl-1H-pyrazol-4-yl)methanone?
The InChIKey is BYRKPKQQGXACTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5OS/c1-19-4-5-20-6-7-21(11-12(20)10-19)16(22)13-9-17-18-15(13)14-3-2-8-23-14/h2-3,8-9,12H,4-7,10-11H2,1H3,(H,17,18).
What are the key properties of (8-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-2-yl)-(5-thiophen-2-yl-1H-pyrazol-4-yl)methanone?
(8-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-2-yl)-(5-thiophen-2-yl-1H-pyrazol-4-yl)methanone has a molecular weight of 331.44 g/mol, XLogP of 1.21, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (8-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-2-yl)-(5-thiophen-2-yl-1H-pyrazol-4-yl)methanone is sourced from PubChem (CID 50978348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).