2-methyl-7-(1-pyrazin-2-ylpiperidin-4-yl)pyrazolo[1,5-a]pyrimidine

C16H18N6 — CID 110118540

IUPAC2-methyl-7-(1-pyrazin-2-ylpiperidin-4-yl)pyrazolo[1,5-a]pyrimidine
SMILESCc1cc2nccc(C3CCN(c4cnccn4)CC3)n2n1
InChIInChI=1S/C16H18N6/c1-12-10-15-18-5-2-14(22(15)20-12)13-3-8-21(9-4-13)16-11-17-6-7-19-16/h2,5-7,10-11,13H,3-4,8-9H2,1H3
InChIKeyUXLYXIRSTCNVAT-UHFFFAOYSA-N
MW294.36 g/mol
LogP2.21
Rot. Bonds2

About 2-methyl-7-(1-pyrazin-2-ylpiperidin-4-yl)pyrazolo[1,5-a]pyrimidine

2-methyl-7-(1-pyrazin-2-ylpiperidin-4-yl)pyrazolo[1,5-a]pyrimidine (PubChem CID 110118540) has the molecular formula C16H18N6 and a molecular weight of 294.36 g/mol. Its IUPAC name is 2-methyl-7-(1-pyrazin-2-ylpiperidin-4-yl)pyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name2-methyl-7-(1-pyrazin-2-ylpiperidin-4-yl)pyrazolo[1,5-a]pyrimidine
PubChem CID110118540
Molecular FormulaC16H18N6
Molecular Weight294.36 g/mol
Exact Mass294.16
IUPAC Name2-methyl-7-(1-pyrazin-2-ylpiperidin-4-yl)pyrazolo[1,5-a]pyrimidine
SMILESCc1cc2nccc(C3CCN(c4cnccn4)CC3)n2n1
InChIInChI=1S/C16H18N6/c1-12-10-15-18-5-2-14(22(15)20-12)13-3-8-21(9-4-13)16-11-17-6-7-19-16/h2,5-7,10-11,13H,3-4,8-9H2,1H3
InChIKeyUXLYXIRSTCNVAT-UHFFFAOYSA-N
XLogP2.21
TPSA59.21 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.36
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-7-(1-pyrazin-2-ylpiperidin-4-yl)pyrazolo[1,5-a]pyrimidine?
The IUPAC name of 2-methyl-7-(1-pyrazin-2-ylpiperidin-4-yl)pyrazolo[1,5-a]pyrimidine (CID 110118540) is 2-methyl-7-(1-pyrazin-2-ylpiperidin-4-yl)pyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 2-methyl-7-(1-pyrazin-2-ylpiperidin-4-yl)pyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 2-methyl-7-(1-pyrazin-2-ylpiperidin-4-yl)pyrazolo[1,5-a]pyrimidine is Cc1cc2nccc(C3CCN(c4cnccn4)CC3)n2n1.
What is the InChIKey of 2-methyl-7-(1-pyrazin-2-ylpiperidin-4-yl)pyrazolo[1,5-a]pyrimidine?
The InChIKey is UXLYXIRSTCNVAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N6/c1-12-10-15-18-5-2-14(22(15)20-12)13-3-8-21(9-4-13)16-11-17-6-7-19-16/h2,5-7,10-11,13H,3-4,8-9H2,1H3.
What are the key properties of 2-methyl-7-(1-pyrazin-2-ylpiperidin-4-yl)pyrazolo[1,5-a]pyrimidine?
2-methyl-7-(1-pyrazin-2-ylpiperidin-4-yl)pyrazolo[1,5-a]pyrimidine has a molecular weight of 294.36 g/mol, XLogP of 2.21, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-7-(1-pyrazin-2-ylpiperidin-4-yl)pyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 110118540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).