2-pyrazol-1-yl-6-[3-(4-pyrimidin-2-ylpiperazin-1-yl)azetidin-1-yl]pyrazine

C18H21N9 — CID 126894070

IUPAC2-pyrazol-1-yl-6-[3-(4-pyrimidin-2-ylpiperazin-1-yl)azetidin-1-yl]pyrazine
SMILESc1cnc(N2CCN(C3CN(c4cncc(-n5cccn5)n4)C3)CC2)nc1
InChIInChI=1S/C18H21N9/c1-3-20-18(21-4-1)25-9-7-24(8-10-25)15-13-26(14-15)16-11-19-12-17(23-16)27-6-2-5-22-27/h1-6,11-12,15H,7-10,13-14H2
InChIKeyWDXCMSLQKFGSCT-UHFFFAOYSA-N
MW363.43 g/mol
LogP0.46
Rot. Bonds4

About 2-pyrazol-1-yl-6-[3-(4-pyrimidin-2-ylpiperazin-1-yl)azetidin-1-yl]pyrazine

2-pyrazol-1-yl-6-[3-(4-pyrimidin-2-ylpiperazin-1-yl)azetidin-1-yl]pyrazine (PubChem CID 126894070) has the molecular formula C18H21N9 and a molecular weight of 363.43 g/mol. Its IUPAC name is 2-pyrazol-1-yl-6-[3-(4-pyrimidin-2-ylpiperazin-1-yl)azetidin-1-yl]pyrazine.

Molecular Properties

Compound Name2-pyrazol-1-yl-6-[3-(4-pyrimidin-2-ylpiperazin-1-yl)azetidin-1-yl]pyrazine
PubChem CID126894070
Molecular FormulaC18H21N9
Molecular Weight363.43 g/mol
Exact Mass363.19
IUPAC Name2-pyrazol-1-yl-6-[3-(4-pyrimidin-2-ylpiperazin-1-yl)azetidin-1-yl]pyrazine
SMILESc1cnc(N2CCN(C3CN(c4cncc(-n5cccn5)n4)C3)CC2)nc1
InChIInChI=1S/C18H21N9/c1-3-20-18(21-4-1)25-9-7-24(8-10-25)15-13-26(14-15)16-11-19-12-17(23-16)27-6-2-5-22-27/h1-6,11-12,15H,7-10,13-14H2
InChIKeyWDXCMSLQKFGSCT-UHFFFAOYSA-N
XLogP0.46
TPSA79.10 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.43
LogP ≤ 50.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 2-pyrazol-1-yl-6-[3-(4-pyrimidin-2-ylpiperazin-1-yl)azetidin-1-yl]pyrazine with MolForge

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Related Compounds

6-pyrazol-1-yl-N-[(3R)-1-pyrimidin-2-ylpiperidin-3-yl]pyrazin-2-amine
CID 94032550
2-methyl-4-[3-(4-pyrimidin-2-ylpiperazin-1-yl)azetidin-1-yl]pyrimidine
CID 126893871
1-(6-pyrazol-1-ylpyrazin-2-yl)piperidine-4-carboxylic acid
CID 146134490
6-[3-(4-pyrimidin-2-ylpiperazin-1-yl)azetidin-1-yl]imidazo[1,2-b]pyridazine
CID 126893887
1-[1-(6-pyrazol-1-ylpyrazin-2-yl)pyrrolidin-3-yl]pyrazole-4-carboxamide
CID 126948107
2-[3-[4-(4-fluorophenyl)piperazin-1-yl]azetidin-1-yl]pyrimidine
CID 126892915
2-[3-(4-pyrimidin-2-ylpiperazin-1-yl)azetidin-1-yl]-1H-benzimidazole
CID 126893831
N,N-dimethyl-2-[3-(4-pyrimidin-2-ylpiperazin-1-yl)azetidin-1-yl]pyrimidin-4-amine
CID 126893881
3-(6-pyrazol-1-ylpyrazin-2-yl)-3-azabicyclo[3.2.2]nonane-6-carboxylic acid
CID 166288937
1-methyl-2-[3-(4-pyrimidin-2-ylpiperazin-1-yl)azetidin-1-yl]benzimidazole
CID 126893862
2-chloro-6-(3-piperazin-1-ylazetidin-1-yl)pyrazine
CID 116650875
2-(3-pyrazol-1-ylazetidin-1-yl)pyrimidine
CID 126900167

Frequently Asked Questions

What is the IUPAC name of 2-pyrazol-1-yl-6-[3-(4-pyrimidin-2-ylpiperazin-1-yl)azetidin-1-yl]pyrazine?
The IUPAC name of 2-pyrazol-1-yl-6-[3-(4-pyrimidin-2-ylpiperazin-1-yl)azetidin-1-yl]pyrazine (CID 126894070) is 2-pyrazol-1-yl-6-[3-(4-pyrimidin-2-ylpiperazin-1-yl)azetidin-1-yl]pyrazine.
What is the SMILES notation for 2-pyrazol-1-yl-6-[3-(4-pyrimidin-2-ylpiperazin-1-yl)azetidin-1-yl]pyrazine?
The canonical SMILES for 2-pyrazol-1-yl-6-[3-(4-pyrimidin-2-ylpiperazin-1-yl)azetidin-1-yl]pyrazine is c1cnc(N2CCN(C3CN(c4cncc(-n5cccn5)n4)C3)CC2)nc1.
What is the InChIKey of 2-pyrazol-1-yl-6-[3-(4-pyrimidin-2-ylpiperazin-1-yl)azetidin-1-yl]pyrazine?
The InChIKey is WDXCMSLQKFGSCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N9/c1-3-20-18(21-4-1)25-9-7-24(8-10-25)15-13-26(14-15)16-11-19-12-17(23-16)27-6-2-5-22-27/h1-6,11-12,15H,7-10,13-14H2.
What are the key properties of 2-pyrazol-1-yl-6-[3-(4-pyrimidin-2-ylpiperazin-1-yl)azetidin-1-yl]pyrazine?
2-pyrazol-1-yl-6-[3-(4-pyrimidin-2-ylpiperazin-1-yl)azetidin-1-yl]pyrazine has a molecular weight of 363.43 g/mol, XLogP of 0.46, 4 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyrazol-1-yl-6-[3-(4-pyrimidin-2-ylpiperazin-1-yl)azetidin-1-yl]pyrazine is sourced from PubChem (CID 126894070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).