2-[[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine

C17H25N7 — CID 56892731

IUPAC2-[[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine
SMILESCc1cc(C)nc(N2CCN(Cc3cc4n(n3)CCNC4)CC2)n1
InChIInChI=1S/C17H25N7/c1-13-9-14(2)20-17(19-13)23-7-5-22(6-8-23)12-15-10-16-11-18-3-4-24(16)21-15/h9-10,18H,3-8,11-12H2,1-2H3
InChIKeyFOILYKGWUGMBJU-UHFFFAOYSA-N
MW327.44 g/mol
LogP0.72
Rot. Bonds3

About 2-[[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine

2-[[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine (PubChem CID 56892731) has the molecular formula C17H25N7 and a molecular weight of 327.44 g/mol. Its IUPAC name is 2-[[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine.

Molecular Properties

Compound Name2-[[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine
PubChem CID56892731
Molecular FormulaC17H25N7
Molecular Weight327.44 g/mol
Exact Mass327.22
IUPAC Name2-[[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine
SMILESCc1cc(C)nc(N2CCN(Cc3cc4n(n3)CCNC4)CC2)n1
InChIInChI=1S/C17H25N7/c1-13-9-14(2)20-17(19-13)23-7-5-22(6-8-23)12-15-10-16-11-18-3-4-24(16)21-15/h9-10,18H,3-8,11-12H2,1-2H3
InChIKeyFOILYKGWUGMBJU-UHFFFAOYSA-N
XLogP0.72
TPSA62.11 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.44
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine?
The IUPAC name of 2-[[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine (CID 56892731) is 2-[[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine.
What is the SMILES notation for 2-[[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine?
The canonical SMILES for 2-[[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine is Cc1cc(C)nc(N2CCN(Cc3cc4n(n3)CCNC4)CC2)n1.
What is the InChIKey of 2-[[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine?
The InChIKey is FOILYKGWUGMBJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N7/c1-13-9-14(2)20-17(19-13)23-7-5-22(6-8-23)12-15-10-16-11-18-3-4-24(16)21-15/h9-10,18H,3-8,11-12H2,1-2H3.
What are the key properties of 2-[[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine?
2-[[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine has a molecular weight of 327.44 g/mol, XLogP of 0.72, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine is sourced from PubChem (CID 56892731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).