2-cyclopropyl-4-[4-(6-methyl-2-methylsulfanylpyrimidin-4-yl)piperazin-1-yl]pyrazolo[1,5-a]pyrazine

C19H23N7S — CID 163348616

IUPAC2-cyclopropyl-4-[4-(6-methyl-2-methylsulfanylpyrimidin-4-yl)piperazin-1-yl]pyrazolo[1,5-a]pyrazine
SMILESCSc1nc(C)cc(N2CCN(c3nccn4nc(C5CC5)cc34)CC2)n1
InChIInChI=1S/C19H23N7S/c1-13-11-17(22-19(21-13)27-2)24-7-9-25(10-8-24)18-16-12-15(14-3-4-14)23-26(16)6-5-20-18/h5-6,11-12,14H,3-4,7-10H2,1-2H3
InChIKeyWCIUFVAGWXFGSG-UHFFFAOYSA-N
MW381.51 g/mol
LogP2.75
Rot. Bonds4

About 2-cyclopropyl-4-[4-(6-methyl-2-methylsulfanylpyrimidin-4-yl)piperazin-1-yl]pyrazolo[1,5-a]pyrazine

2-cyclopropyl-4-[4-(6-methyl-2-methylsulfanylpyrimidin-4-yl)piperazin-1-yl]pyrazolo[1,5-a]pyrazine (PubChem CID 163348616) has the molecular formula C19H23N7S and a molecular weight of 381.51 g/mol. Its IUPAC name is 2-cyclopropyl-4-[4-(6-methyl-2-methylsulfanylpyrimidin-4-yl)piperazin-1-yl]pyrazolo[1,5-a]pyrazine.

Molecular Properties

Compound Name2-cyclopropyl-4-[4-(6-methyl-2-methylsulfanylpyrimidin-4-yl)piperazin-1-yl]pyrazolo[1,5-a]pyrazine
PubChem CID163348616
Molecular FormulaC19H23N7S
Molecular Weight381.51 g/mol
Exact Mass381.17
IUPAC Name2-cyclopropyl-4-[4-(6-methyl-2-methylsulfanylpyrimidin-4-yl)piperazin-1-yl]pyrazolo[1,5-a]pyrazine
SMILESCSc1nc(C)cc(N2CCN(c3nccn4nc(C5CC5)cc34)CC2)n1
InChIInChI=1S/C19H23N7S/c1-13-11-17(22-19(21-13)27-2)24-7-9-25(10-8-24)18-16-12-15(14-3-4-14)23-26(16)6-5-20-18/h5-6,11-12,14H,3-4,7-10H2,1-2H3
InChIKeyWCIUFVAGWXFGSG-UHFFFAOYSA-N
XLogP2.75
TPSA62.45 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.51
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 2-cyclopropyl-4-[4-(6-methyl-2-methylsulfanylpyrimidin-4-yl)piperazin-1-yl]pyrazolo[1,5-a]pyrazine with MolForge

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Related Compounds

2-cyclopropyl-4-(4-phenylpiperazin-1-yl)pyrazolo[1,5-a]pyrazine
CID 154830210
N-[1-(2-cyclopropylpyrazolo[1,5-a]pyrazin-4-yl)piperidin-4-yl]-6-methylpyrimidin-4-amine
CID 126887880
1-(2-cyclopropylpyrazolo[1,5-a]pyrazin-4-yl)azepan-4-ol
CID 171691218
2-cyclopropyl-4-(3,3-difluoroazetidin-1-yl)pyrazolo[1,5-a]pyrazine
CID 171995190
2-[[1-(2-cyclopropylpyrazolo[1,5-a]pyrazin-4-yl)piperidin-4-yl]methyl]-6-methylpyridazin-3-one
CID 126864229
4-[6-methyl-2-[4-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)piperazin-1-yl]pyrimidin-4-yl]morpholine
CID 155800926
4-[2-methyl-6-[4-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)piperazin-1-yl]pyrimidin-4-yl]morpholine
CID 155800928
8-[4-(2-cyclopropyl-6-methylpyrimidin-4-yl)piperazin-1-yl]imidazo[1,2-a]pyrazine
CID 166605243
2-cyclopropyl-4-[3-(fluoromethyl)azetidin-1-yl]pyrazolo[1,5-a]pyrazine
CID 171994745
2-cyclopropyl-4-methyl-6-[4-[2-methylsulfanyl-6-(oxan-4-yl)pyrimidin-4-yl]piperazin-1-yl]pyrimidine
CID 155980467
5-chloro-N-[1-(2-cyclopropylpyrazolo[1,5-a]pyrazin-4-yl)piperidin-4-yl]-N-methylpyrimidin-2-amine
CID 155981617
5-bromo-N-[1-(2-cyclopropylpyrazolo[1,5-a]pyrazin-4-yl)piperidin-4-yl]-N-methylpyrimidin-2-amine
CID 171328996

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-4-[4-(6-methyl-2-methylsulfanylpyrimidin-4-yl)piperazin-1-yl]pyrazolo[1,5-a]pyrazine?
The IUPAC name of 2-cyclopropyl-4-[4-(6-methyl-2-methylsulfanylpyrimidin-4-yl)piperazin-1-yl]pyrazolo[1,5-a]pyrazine (CID 163348616) is 2-cyclopropyl-4-[4-(6-methyl-2-methylsulfanylpyrimidin-4-yl)piperazin-1-yl]pyrazolo[1,5-a]pyrazine.
What is the SMILES notation for 2-cyclopropyl-4-[4-(6-methyl-2-methylsulfanylpyrimidin-4-yl)piperazin-1-yl]pyrazolo[1,5-a]pyrazine?
The canonical SMILES for 2-cyclopropyl-4-[4-(6-methyl-2-methylsulfanylpyrimidin-4-yl)piperazin-1-yl]pyrazolo[1,5-a]pyrazine is CSc1nc(C)cc(N2CCN(c3nccn4nc(C5CC5)cc34)CC2)n1.
What is the InChIKey of 2-cyclopropyl-4-[4-(6-methyl-2-methylsulfanylpyrimidin-4-yl)piperazin-1-yl]pyrazolo[1,5-a]pyrazine?
The InChIKey is WCIUFVAGWXFGSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N7S/c1-13-11-17(22-19(21-13)27-2)24-7-9-25(10-8-24)18-16-12-15(14-3-4-14)23-26(16)6-5-20-18/h5-6,11-12,14H,3-4,7-10H2,1-2H3.
What are the key properties of 2-cyclopropyl-4-[4-(6-methyl-2-methylsulfanylpyrimidin-4-yl)piperazin-1-yl]pyrazolo[1,5-a]pyrazine?
2-cyclopropyl-4-[4-(6-methyl-2-methylsulfanylpyrimidin-4-yl)piperazin-1-yl]pyrazolo[1,5-a]pyrazine has a molecular weight of 381.51 g/mol, XLogP of 2.75, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-4-[4-(6-methyl-2-methylsulfanylpyrimidin-4-yl)piperazin-1-yl]pyrazolo[1,5-a]pyrazine is sourced from PubChem (CID 163348616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).