[4-[6-(methylamino)pyrazin-2-yl]piperidin-1-yl]-(1-methylpyrazol-4-yl)methanone

C15H20N6O — CID 95824574

IUPAC[4-[6-(methylamino)pyrazin-2-yl]piperidin-1-yl]-(1-methylpyrazol-4-yl)methanone
SMILESCNc1cncc(C2CCN(C(=O)c3cnn(C)c3)CC2)n1
InChIInChI=1S/C15H20N6O/c1-16-14-9-17-8-13(19-14)11-3-5-21(6-4-11)15(22)12-7-18-20(2)10-12/h7-11H,3-6H2,1-2H3,(H,16,19)
InChIKeyJSYNVZZLQXSBAT-UHFFFAOYSA-N
MW300.37 g/mol
LogP1.27
Rot. Bonds3

About [4-[6-(methylamino)pyrazin-2-yl]piperidin-1-yl]-(1-methylpyrazol-4-yl)methanone

[4-[6-(methylamino)pyrazin-2-yl]piperidin-1-yl]-(1-methylpyrazol-4-yl)methanone (PubChem CID 95824574) has the molecular formula C15H20N6O and a molecular weight of 300.37 g/mol. Its IUPAC name is [4-[6-(methylamino)pyrazin-2-yl]piperidin-1-yl]-(1-methylpyrazol-4-yl)methanone.

Molecular Properties

Compound Name[4-[6-(methylamino)pyrazin-2-yl]piperidin-1-yl]-(1-methylpyrazol-4-yl)methanone
PubChem CID95824574
Molecular FormulaC15H20N6O
Molecular Weight300.37 g/mol
Exact Mass300.17
IUPAC Name[4-[6-(methylamino)pyrazin-2-yl]piperidin-1-yl]-(1-methylpyrazol-4-yl)methanone
SMILESCNc1cncc(C2CCN(C(=O)c3cnn(C)c3)CC2)n1
InChIInChI=1S/C15H20N6O/c1-16-14-9-17-8-13(19-14)11-3-5-21(6-4-11)15(22)12-7-18-20(2)10-12/h7-11H,3-6H2,1-2H3,(H,16,19)
InChIKeyJSYNVZZLQXSBAT-UHFFFAOYSA-N
XLogP1.27
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.37
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(1-methylpyrazol-4-yl)-(4-pyrazin-2-ylpiperidin-1-yl)methanone
CID 95824601
[4-[6-(3-fluorophenoxy)pyrazin-2-yl]piperidin-1-yl]-(1-methylpyrazol-4-yl)methanone
CID 95823156
2-[4-[6-(methylamino)pyrazin-2-yl]piperidin-1-yl]ethanol
CID 95817134
(1-methylpyrazol-4-yl)-[4-(6-methyl-4-pyrimidin-5-yl-2-pyridinyl)piperidin-1-yl]methanone
CID 92615374
(3S)-N-methyl-1-(1-methylpyrazole-4-carbonyl)pyrrolidine-3-carboxamide
CID 95839704
[4-(2-methylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-1-yl]-(1-methylpyrazol-4-yl)methanone
CID 110132814
[4-(1-hydroxyethyl)piperidin-1-yl]-(1-methylpyrazol-4-yl)methanone
CID 113238255
[(3R)-3-[6-(3-methoxyphenyl)pyrazin-2-yl]piperidin-1-yl]-(1-methylpyrazol-4-yl)methanone
CID 95820010
trans-(1S,2S)-2-[4-[6-(methylamino)pyrazin-2-yl]piperidin-1-yl]cyclohexan-1-ol
CID 125004104
(4-methylpiperazin-1-yl)-(1-methylpyrazol-4-yl)methanone
CID 60667533
3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl-(1-methylpyrazol-4-yl)methanone
CID 51220232
(1-methylpyrazol-4-yl)-[4-(1H-pyrrolo[2,3-b]pyridin-2-yl)piperidin-1-yl]methanone
CID 95811532

Frequently Asked Questions

What is the IUPAC name of [4-[6-(methylamino)pyrazin-2-yl]piperidin-1-yl]-(1-methylpyrazol-4-yl)methanone?
The IUPAC name of [4-[6-(methylamino)pyrazin-2-yl]piperidin-1-yl]-(1-methylpyrazol-4-yl)methanone (CID 95824574) is [4-[6-(methylamino)pyrazin-2-yl]piperidin-1-yl]-(1-methylpyrazol-4-yl)methanone.
What is the SMILES notation for [4-[6-(methylamino)pyrazin-2-yl]piperidin-1-yl]-(1-methylpyrazol-4-yl)methanone?
The canonical SMILES for [4-[6-(methylamino)pyrazin-2-yl]piperidin-1-yl]-(1-methylpyrazol-4-yl)methanone is CNc1cncc(C2CCN(C(=O)c3cnn(C)c3)CC2)n1.
What is the InChIKey of [4-[6-(methylamino)pyrazin-2-yl]piperidin-1-yl]-(1-methylpyrazol-4-yl)methanone?
The InChIKey is JSYNVZZLQXSBAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N6O/c1-16-14-9-17-8-13(19-14)11-3-5-21(6-4-11)15(22)12-7-18-20(2)10-12/h7-11H,3-6H2,1-2H3,(H,16,19).
What are the key properties of [4-[6-(methylamino)pyrazin-2-yl]piperidin-1-yl]-(1-methylpyrazol-4-yl)methanone?
[4-[6-(methylamino)pyrazin-2-yl]piperidin-1-yl]-(1-methylpyrazol-4-yl)methanone has a molecular weight of 300.37 g/mol, XLogP of 1.27, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[6-(methylamino)pyrazin-2-yl]piperidin-1-yl]-(1-methylpyrazol-4-yl)methanone is sourced from PubChem (CID 95824574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).