2-[4-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]piperazin-1-yl]-6-(1-methylpyrazol-4-yl)pyrazine

C21H27N7O — CID 163352310

IUPAC2-[4-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]piperazin-1-yl]-6-(1-methylpyrazol-4-yl)pyrazine
SMILESCOc1c(C)cnc(CN2CCN(c3cncc(-c4cnn(C)c4)n3)CC2)c1C
InChIInChI=1S/C21H27N7O/c1-15-9-23-19(16(2)21(15)29-4)14-27-5-7-28(8-6-27)20-12-22-11-18(25-20)17-10-24-26(3)13-17/h9-13H,5-8,14H2,1-4H3
InChIKeyJQYOGZGSOPMAPQ-UHFFFAOYSA-N
MW393.50 g/mol
LogP2.22
Rot. Bonds5

About 2-[4-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]piperazin-1-yl]-6-(1-methylpyrazol-4-yl)pyrazine

2-[4-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]piperazin-1-yl]-6-(1-methylpyrazol-4-yl)pyrazine (PubChem CID 163352310) has the molecular formula C21H27N7O and a molecular weight of 393.50 g/mol. Its IUPAC name is 2-[4-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]piperazin-1-yl]-6-(1-methylpyrazol-4-yl)pyrazine.

Molecular Properties

Compound Name2-[4-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]piperazin-1-yl]-6-(1-methylpyrazol-4-yl)pyrazine
PubChem CID163352310
Molecular FormulaC21H27N7O
Molecular Weight393.50 g/mol
Exact Mass393.23
IUPAC Name2-[4-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]piperazin-1-yl]-6-(1-methylpyrazol-4-yl)pyrazine
SMILESCOc1c(C)cnc(CN2CCN(c3cncc(-c4cnn(C)c4)n3)CC2)c1C
InChIInChI=1S/C21H27N7O/c1-15-9-23-19(16(2)21(15)29-4)14-27-5-7-28(8-6-27)20-12-22-11-18(25-20)17-10-24-26(3)13-17/h9-13H,5-8,14H2,1-4H3
InChIKeyJQYOGZGSOPMAPQ-UHFFFAOYSA-N
XLogP2.22
TPSA72.20 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.50
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 2-[4-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]piperazin-1-yl]-6-(1-methylpyrazol-4-yl)pyrazine with MolForge

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Related Compounds

1-(2-chloroethyl)-4-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]piperazine
CID 63387078
6,7-dimethoxy-4-[4-[6-(1-methylpyrazol-4-yl)pyrazin-2-yl]piperazin-1-yl]quinazoline
CID 163354995
4,5-dimethyl-6-[4-[6-(1-methylpyrazol-4-yl)pyrazin-2-yl]piperazin-1-yl]pyrimidine
CID 163351387
2-(1-methylpyrazol-4-yl)-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyrazine
CID 163352906
4-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]morpholine
CID 171130228
2,4-dimethyl-6-[4-[6-(1-methylpyrazol-4-yl)pyrazin-2-yl]piperazin-1-yl]pyrimidine
CID 163354789
1-(2-chloroethyl)-4-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-1,4-diazepane
CID 63388026
2-[4-(5-chloro-2-pyridinyl)piperazin-1-yl]-6-(1-methylpyrazol-4-yl)pyrazine
CID 163352896
1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]piperidin-4-ol
CID 62021333
2-(1-methylpyrazol-4-yl)-6-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]pyrazine
CID 163354935
2-[4-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]piperazin-1-yl]ethanethioamide
CID 63336983
1-[1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]piperidin-4-yl]ethanol
CID 103655825

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]piperazin-1-yl]-6-(1-methylpyrazol-4-yl)pyrazine?
The IUPAC name of 2-[4-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]piperazin-1-yl]-6-(1-methylpyrazol-4-yl)pyrazine (CID 163352310) is 2-[4-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]piperazin-1-yl]-6-(1-methylpyrazol-4-yl)pyrazine.
What is the SMILES notation for 2-[4-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]piperazin-1-yl]-6-(1-methylpyrazol-4-yl)pyrazine?
The canonical SMILES for 2-[4-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]piperazin-1-yl]-6-(1-methylpyrazol-4-yl)pyrazine is COc1c(C)cnc(CN2CCN(c3cncc(-c4cnn(C)c4)n3)CC2)c1C.
What is the InChIKey of 2-[4-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]piperazin-1-yl]-6-(1-methylpyrazol-4-yl)pyrazine?
The InChIKey is JQYOGZGSOPMAPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N7O/c1-15-9-23-19(16(2)21(15)29-4)14-27-5-7-28(8-6-27)20-12-22-11-18(25-20)17-10-24-26(3)13-17/h9-13H,5-8,14H2,1-4H3.
What are the key properties of 2-[4-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]piperazin-1-yl]-6-(1-methylpyrazol-4-yl)pyrazine?
2-[4-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]piperazin-1-yl]-6-(1-methylpyrazol-4-yl)pyrazine has a molecular weight of 393.50 g/mol, XLogP of 2.22, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]piperazin-1-yl]-6-(1-methylpyrazol-4-yl)pyrazine is sourced from PubChem (CID 163352310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).