5-[4-[(3-methylpyrazin-2-yl)oxymethyl]piperidin-1-yl]pyrazolo[1,5-a]pyrimidine

C17H20N6O — CID 165433633

IUPAC5-[4-[(3-methylpyrazin-2-yl)oxymethyl]piperidin-1-yl]pyrazolo[1,5-a]pyrimidine
SMILESCc1nccnc1OCC1CCN(c2ccn3nccc3n2)CC1
InChIInChI=1S/C17H20N6O/c1-13-17(19-8-7-18-13)24-12-14-3-9-22(10-4-14)15-5-11-23-16(21-15)2-6-20-23/h2,5-8,11,14H,3-4,9-10,12H2,1H3
InChIKeyCIWQDCOQWJMLCF-UHFFFAOYSA-N
MW324.39 g/mol
LogP2.12
Rot. Bonds4

About 5-[4-[(3-methylpyrazin-2-yl)oxymethyl]piperidin-1-yl]pyrazolo[1,5-a]pyrimidine

5-[4-[(3-methylpyrazin-2-yl)oxymethyl]piperidin-1-yl]pyrazolo[1,5-a]pyrimidine (PubChem CID 165433633) has the molecular formula C17H20N6O and a molecular weight of 324.39 g/mol. Its IUPAC name is 5-[4-[(3-methylpyrazin-2-yl)oxymethyl]piperidin-1-yl]pyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name5-[4-[(3-methylpyrazin-2-yl)oxymethyl]piperidin-1-yl]pyrazolo[1,5-a]pyrimidine
PubChem CID165433633
Molecular FormulaC17H20N6O
Molecular Weight324.39 g/mol
Exact Mass324.17
IUPAC Name5-[4-[(3-methylpyrazin-2-yl)oxymethyl]piperidin-1-yl]pyrazolo[1,5-a]pyrimidine
SMILESCc1nccnc1OCC1CCN(c2ccn3nccc3n2)CC1
InChIInChI=1S/C17H20N6O/c1-13-17(19-8-7-18-13)24-12-14-3-9-22(10-4-14)15-5-11-23-16(21-15)2-6-20-23/h2,5-8,11,14H,3-4,9-10,12H2,1H3
InChIKeyCIWQDCOQWJMLCF-UHFFFAOYSA-N
XLogP2.12
TPSA68.44 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.39
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-[4-[(3-methylpyrazin-2-yl)oxymethyl]piperidin-1-yl]pyrazolo[1,5-a]pyrimidine?
The IUPAC name of 5-[4-[(3-methylpyrazin-2-yl)oxymethyl]piperidin-1-yl]pyrazolo[1,5-a]pyrimidine (CID 165433633) is 5-[4-[(3-methylpyrazin-2-yl)oxymethyl]piperidin-1-yl]pyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 5-[4-[(3-methylpyrazin-2-yl)oxymethyl]piperidin-1-yl]pyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 5-[4-[(3-methylpyrazin-2-yl)oxymethyl]piperidin-1-yl]pyrazolo[1,5-a]pyrimidine is Cc1nccnc1OCC1CCN(c2ccn3nccc3n2)CC1.
What is the InChIKey of 5-[4-[(3-methylpyrazin-2-yl)oxymethyl]piperidin-1-yl]pyrazolo[1,5-a]pyrimidine?
The InChIKey is CIWQDCOQWJMLCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N6O/c1-13-17(19-8-7-18-13)24-12-14-3-9-22(10-4-14)15-5-11-23-16(21-15)2-6-20-23/h2,5-8,11,14H,3-4,9-10,12H2,1H3.
What are the key properties of 5-[4-[(3-methylpyrazin-2-yl)oxymethyl]piperidin-1-yl]pyrazolo[1,5-a]pyrimidine?
5-[4-[(3-methylpyrazin-2-yl)oxymethyl]piperidin-1-yl]pyrazolo[1,5-a]pyrimidine has a molecular weight of 324.39 g/mol, XLogP of 2.12, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[(3-methylpyrazin-2-yl)oxymethyl]piperidin-1-yl]pyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 165433633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).