7-[4-(3,6-dimethylpyrazin-2-yl)oxypiperidin-1-yl]-2,5-dimethylpyrazolo[1,5-a]pyrimidine

C19H24N6O — CID 163350577

IUPAC7-[4-(3,6-dimethylpyrazin-2-yl)oxypiperidin-1-yl]-2,5-dimethylpyrazolo[1,5-a]pyrimidine
SMILESCc1cnc(C)c(OC2CCN(c3cc(C)nc4cc(C)nn34)CC2)n1
InChIInChI=1S/C19H24N6O/c1-12-10-18(25-17(21-12)9-13(2)23-25)24-7-5-16(6-8-24)26-19-15(4)20-11-14(3)22-19/h9-11,16H,5-8H2,1-4H3
InChIKeyPLCRSHUSDDGUBH-UHFFFAOYSA-N
MW352.44 g/mol
LogP2.80
Rot. Bonds3

About 7-[4-(3,6-dimethylpyrazin-2-yl)oxypiperidin-1-yl]-2,5-dimethylpyrazolo[1,5-a]pyrimidine

7-[4-(3,6-dimethylpyrazin-2-yl)oxypiperidin-1-yl]-2,5-dimethylpyrazolo[1,5-a]pyrimidine (PubChem CID 163350577) has the molecular formula C19H24N6O and a molecular weight of 352.44 g/mol. Its IUPAC name is 7-[4-(3,6-dimethylpyrazin-2-yl)oxypiperidin-1-yl]-2,5-dimethylpyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name7-[4-(3,6-dimethylpyrazin-2-yl)oxypiperidin-1-yl]-2,5-dimethylpyrazolo[1,5-a]pyrimidine
PubChem CID163350577
Molecular FormulaC19H24N6O
Molecular Weight352.44 g/mol
Exact Mass352.20
IUPAC Name7-[4-(3,6-dimethylpyrazin-2-yl)oxypiperidin-1-yl]-2,5-dimethylpyrazolo[1,5-a]pyrimidine
SMILESCc1cnc(C)c(OC2CCN(c3cc(C)nc4cc(C)nn34)CC2)n1
InChIInChI=1S/C19H24N6O/c1-12-10-18(25-17(21-12)9-13(2)23-25)24-7-5-16(6-8-24)26-19-15(4)20-11-14(3)22-19/h9-11,16H,5-8H2,1-4H3
InChIKeyPLCRSHUSDDGUBH-UHFFFAOYSA-N
XLogP2.80
TPSA68.44 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.44
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 7-[4-(3,6-dimethylpyrazin-2-yl)oxypiperidin-1-yl]-2,5-dimethylpyrazolo[1,5-a]pyrimidine?
The IUPAC name of 7-[4-(3,6-dimethylpyrazin-2-yl)oxypiperidin-1-yl]-2,5-dimethylpyrazolo[1,5-a]pyrimidine (CID 163350577) is 7-[4-(3,6-dimethylpyrazin-2-yl)oxypiperidin-1-yl]-2,5-dimethylpyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 7-[4-(3,6-dimethylpyrazin-2-yl)oxypiperidin-1-yl]-2,5-dimethylpyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 7-[4-(3,6-dimethylpyrazin-2-yl)oxypiperidin-1-yl]-2,5-dimethylpyrazolo[1,5-a]pyrimidine is Cc1cnc(C)c(OC2CCN(c3cc(C)nc4cc(C)nn34)CC2)n1.
What is the InChIKey of 7-[4-(3,6-dimethylpyrazin-2-yl)oxypiperidin-1-yl]-2,5-dimethylpyrazolo[1,5-a]pyrimidine?
The InChIKey is PLCRSHUSDDGUBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N6O/c1-12-10-18(25-17(21-12)9-13(2)23-25)24-7-5-16(6-8-24)26-19-15(4)20-11-14(3)22-19/h9-11,16H,5-8H2,1-4H3.
What are the key properties of 7-[4-(3,6-dimethylpyrazin-2-yl)oxypiperidin-1-yl]-2,5-dimethylpyrazolo[1,5-a]pyrimidine?
7-[4-(3,6-dimethylpyrazin-2-yl)oxypiperidin-1-yl]-2,5-dimethylpyrazolo[1,5-a]pyrimidine has a molecular weight of 352.44 g/mol, XLogP of 2.80, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[4-(3,6-dimethylpyrazin-2-yl)oxypiperidin-1-yl]-2,5-dimethylpyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 163350577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).