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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Related Compounds

4-methyl-5-[[4-(2-methylpyrazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]methyl]-1,3-thiazole
CID 155986862
[4-(2-methylpyrazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]-(2-methylpyrazol-3-yl)methanone
CID 110118556
6-tert-butyl-3-(1-pyrazin-2-ylpiperidin-4-yl)-[1,2,4]triazolo[4,3-b]pyridazine
CID 126910534
N,N,6-trimethyl-2-(1-pyrazin-2-ylpiperidin-4-yl)pyrimidin-4-amine
CID 95816992
N,2,6-trimethyl-N-(1-pyrazin-2-ylpiperidin-4-yl)pyridin-4-amine
CID 166304823
2-[1-(2-methylpyrazolo[1,5-a]pyrimidin-7-yl)piperidin-4-yl]-1,3-thiazole
CID 69255587
2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[4-(2-methylpyrazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]ethanone
CID 110118569
2-(4-bromopiperidin-1-yl)pyrazine
CID 80674882
N,N,6-trimethyl-2-[(3R)-1-pyrazin-2-ylpyrrolidin-3-yl]pyrimidin-4-amine
CID 95817004
3-[2-methyl-6-(1-pyrazin-2-ylpiperidin-4-yl)pyrimidin-4-yl]propanoic acid
CID 95827217
7-methoxy-2-methylpyrazolo[1,5-a]pyrimidine
CID 133056357
2-(4-imidazol-1-ylpiperidin-1-yl)pyrazine
CID 133301086

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).