4-[4-[(5,6-dimethyl-2-methylsulfanylpyrimidin-4-yl)oxymethyl]piperidin-1-yl]pyrazolo[1,5-a]pyrazine

C19H24N6OS — CID 163354367

IUPAC4-[4-[(5,6-dimethyl-2-methylsulfanylpyrimidin-4-yl)oxymethyl]piperidin-1-yl]pyrazolo[1,5-a]pyrazine
SMILESCSc1nc(C)c(C)c(OCC2CCN(c3nccn4nccc34)CC2)n1
InChIInChI=1S/C19H24N6OS/c1-13-14(2)22-19(27-3)23-18(13)26-12-15-5-9-24(10-6-15)17-16-4-7-21-25(16)11-8-20-17/h4,7-8,11,15H,5-6,9-10,12H2,1-3H3
InChIKeyYPJHSORGODPAJA-UHFFFAOYSA-N
MW384.51 g/mol
LogP3.15
Rot. Bonds5

About 4-[4-[(5,6-dimethyl-2-methylsulfanylpyrimidin-4-yl)oxymethyl]piperidin-1-yl]pyrazolo[1,5-a]pyrazine

4-[4-[(5,6-dimethyl-2-methylsulfanylpyrimidin-4-yl)oxymethyl]piperidin-1-yl]pyrazolo[1,5-a]pyrazine (PubChem CID 163354367) has the molecular formula C19H24N6OS and a molecular weight of 384.51 g/mol. Its IUPAC name is 4-[4-[(5,6-dimethyl-2-methylsulfanylpyrimidin-4-yl)oxymethyl]piperidin-1-yl]pyrazolo[1,5-a]pyrazine.

Molecular Properties

Compound Name4-[4-[(5,6-dimethyl-2-methylsulfanylpyrimidin-4-yl)oxymethyl]piperidin-1-yl]pyrazolo[1,5-a]pyrazine
PubChem CID163354367
Molecular FormulaC19H24N6OS
Molecular Weight384.51 g/mol
Exact Mass384.17
IUPAC Name4-[4-[(5,6-dimethyl-2-methylsulfanylpyrimidin-4-yl)oxymethyl]piperidin-1-yl]pyrazolo[1,5-a]pyrazine
SMILESCSc1nc(C)c(C)c(OCC2CCN(c3nccn4nccc34)CC2)n1
InChIInChI=1S/C19H24N6OS/c1-13-14(2)22-19(27-3)23-18(13)26-12-15-5-9-24(10-6-15)17-16-4-7-21-25(16)11-8-20-17/h4,7-8,11,15H,5-6,9-10,12H2,1-3H3
InChIKeyYPJHSORGODPAJA-UHFFFAOYSA-N
XLogP3.15
TPSA68.44 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.51
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 4-[4-[(5,6-dimethyl-2-methylsulfanylpyrimidin-4-yl)oxymethyl]piperidin-1-yl]pyrazolo[1,5-a]pyrazine with MolForge

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Related Compounds

5-[4-[(5-methyl-2-methylsulfanylpyrimidin-4-yl)oxymethyl]piperidin-1-yl]pyrazolo[1,5-a]pyrimidine
CID 155799047
4-[(1-pyrazolo[1,5-a]pyrazin-4-ylpiperidin-4-yl)methoxy]pyridine-2-carboxamide
CID 166603591
4-[3-(bromomethyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrazine
CID 104734120
4-[4-(5-fluoro-2,6-dimethylpyrimidin-4-yl)piperazin-1-yl]pyrazolo[1,5-a]pyrazine
CID 154829132
1-(1-pyrazolo[1,5-a]pyrazin-4-ylpiperidin-4-yl)ethanone
CID 104730056
5-bromo-4-[4-[(3-methylpyrazin-2-yl)oxymethyl]piperidin-1-yl]-2-methylsulfanylpyrimidine
CID 165435366
4-(1-pyrazolo[1,5-a]pyrazin-4-ylpiperidin-4-yl)thiomorpholine
CID 171328024
4-N-cyclopropyl-6-N,6-N-dimethyl-4-N-(1-pyrazolo[1,5-a]pyrazin-4-ylpiperidin-4-yl)pyrimidine-4,6-diamine
CID 126891496
1-pyrazolo[1,5-a]pyrazin-4-ylpiperidin-3-amine
CID 91811933
(1-pyrazolo[1,5-a]pyrazin-4-ylpiperidin-3-yl)methanamine
CID 104729923
6-methyl-3-(1-pyrazolo[1,5-a]pyrazin-4-ylpiperidin-4-yl)-[1,2,4]triazolo[4,3-b]pyridazine
CID 126910135
4-[4-[(2-cyclopropyl-5,6-dimethylpyrimidin-4-yl)oxymethyl]piperidin-1-yl]pyrido[3,4-d]pyrimidine
CID 163345001

Frequently Asked Questions

What is the IUPAC name of 4-[4-[(5,6-dimethyl-2-methylsulfanylpyrimidin-4-yl)oxymethyl]piperidin-1-yl]pyrazolo[1,5-a]pyrazine?
The IUPAC name of 4-[4-[(5,6-dimethyl-2-methylsulfanylpyrimidin-4-yl)oxymethyl]piperidin-1-yl]pyrazolo[1,5-a]pyrazine (CID 163354367) is 4-[4-[(5,6-dimethyl-2-methylsulfanylpyrimidin-4-yl)oxymethyl]piperidin-1-yl]pyrazolo[1,5-a]pyrazine.
What is the SMILES notation for 4-[4-[(5,6-dimethyl-2-methylsulfanylpyrimidin-4-yl)oxymethyl]piperidin-1-yl]pyrazolo[1,5-a]pyrazine?
The canonical SMILES for 4-[4-[(5,6-dimethyl-2-methylsulfanylpyrimidin-4-yl)oxymethyl]piperidin-1-yl]pyrazolo[1,5-a]pyrazine is CSc1nc(C)c(C)c(OCC2CCN(c3nccn4nccc34)CC2)n1.
What is the InChIKey of 4-[4-[(5,6-dimethyl-2-methylsulfanylpyrimidin-4-yl)oxymethyl]piperidin-1-yl]pyrazolo[1,5-a]pyrazine?
The InChIKey is YPJHSORGODPAJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N6OS/c1-13-14(2)22-19(27-3)23-18(13)26-12-15-5-9-24(10-6-15)17-16-4-7-21-25(16)11-8-20-17/h4,7-8,11,15H,5-6,9-10,12H2,1-3H3.
What are the key properties of 4-[4-[(5,6-dimethyl-2-methylsulfanylpyrimidin-4-yl)oxymethyl]piperidin-1-yl]pyrazolo[1,5-a]pyrazine?
4-[4-[(5,6-dimethyl-2-methylsulfanylpyrimidin-4-yl)oxymethyl]piperidin-1-yl]pyrazolo[1,5-a]pyrazine has a molecular weight of 384.51 g/mol, XLogP of 3.15, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[(5,6-dimethyl-2-methylsulfanylpyrimidin-4-yl)oxymethyl]piperidin-1-yl]pyrazolo[1,5-a]pyrazine is sourced from PubChem (CID 163354367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).