5,6-dimethyl-7-piperazin-1-yl-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidine

C17H20N6 — CID 82270589

IUPAC5,6-dimethyl-7-piperazin-1-yl-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidine
SMILESCc1nc2cc(-c3ccncc3)nn2c(N2CCNCC2)c1C
InChIInChI=1S/C17H20N6/c1-12-13(2)20-16-11-15(14-3-5-18-6-4-14)21-23(16)17(12)22-9-7-19-8-10-22/h3-6,11,19H,7-10H2,1-2H3
InChIKeyDVXBBYXZMOMLCR-UHFFFAOYSA-N
MW308.39 g/mol
LogP1.82
Rot. Bonds2

About 5,6-dimethyl-7-piperazin-1-yl-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidine

5,6-dimethyl-7-piperazin-1-yl-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidine (PubChem CID 82270589) has the molecular formula C17H20N6 and a molecular weight of 308.39 g/mol. Its IUPAC name is 5,6-dimethyl-7-piperazin-1-yl-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name5,6-dimethyl-7-piperazin-1-yl-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidine
PubChem CID82270589
Molecular FormulaC17H20N6
Molecular Weight308.39 g/mol
Exact Mass308.17
IUPAC Name5,6-dimethyl-7-piperazin-1-yl-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidine
SMILESCc1nc2cc(-c3ccncc3)nn2c(N2CCNCC2)c1C
InChIInChI=1S/C17H20N6/c1-12-13(2)20-16-11-15(14-3-5-18-6-4-14)21-23(16)17(12)22-9-7-19-8-10-22/h3-6,11,19H,7-10H2,1-2H3
InChIKeyDVXBBYXZMOMLCR-UHFFFAOYSA-N
XLogP1.82
TPSA58.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.39
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 5,6-dimethyl-7-piperazin-1-yl-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidine with MolForge

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Related Compounds

5-methyl-2-phenyl-7-piperazin-1-ylpyrazolo[1,5-a]pyrimidine
CID 82270537
4,5-dimethyl-6-piperazin-1-yl-2-pyridin-4-ylpyrimidine
CID 82169374
2-(3,4-dimethoxyphenyl)-5,6-dimethyl-7-(4-methylpiperazin-1-yl)pyrazolo[1,5-a]pyrimidine
CID 1434726
7-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-2-(4-methoxyphenyl)-5,6-dimethylpyrazolo[1,5-a]pyrimidine
CID 1441109
5,6-dimethyl-2,3-bis(methylsulfanyl)-7-piperazin-1-ylpyrazolo[1,5-a]pyrimidine
CID 140999314
11-(3,5-dimethoxyphenyl)-2-piperazin-1-yl-1,8,12-triazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraene
CID 1434779
[(3S)-1-[5,6-dimethyl-2-(1-methylimidazol-2-yl)pyrazolo[1,5-a]pyrimidin-7-yl]piperidin-3-yl]methanol
CID 95800018
11-methyl-2-piperazin-1-yl-1,8,12-triazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraene
CID 82270592
1-[5,6-dimethyl-2-(1-methylimidazol-2-yl)pyrazolo[1,5-a]pyrimidin-7-yl]piperidin-3-ol
CID 110220003
4,5-dimethyl-6-piperazin-1-yl-2-pyridin-3-ylpyrimidine
CID 82169373
(2S,6R)-4-[2-(furan-2-yl)-5,6-dimethylpyrazolo[1,5-a]pyrimidin-7-yl]-2,6-dimethylmorpholine
CID 51596288
5-[3-(4-methylphenyl)pyrazol-1-yl]-7-piperidin-1-yl-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidine
CID 174167126

Frequently Asked Questions

What is the IUPAC name of 5,6-dimethyl-7-piperazin-1-yl-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidine?
The IUPAC name of 5,6-dimethyl-7-piperazin-1-yl-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidine (CID 82270589) is 5,6-dimethyl-7-piperazin-1-yl-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 5,6-dimethyl-7-piperazin-1-yl-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 5,6-dimethyl-7-piperazin-1-yl-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidine is Cc1nc2cc(-c3ccncc3)nn2c(N2CCNCC2)c1C.
What is the InChIKey of 5,6-dimethyl-7-piperazin-1-yl-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidine?
The InChIKey is DVXBBYXZMOMLCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N6/c1-12-13(2)20-16-11-15(14-3-5-18-6-4-14)21-23(16)17(12)22-9-7-19-8-10-22/h3-6,11,19H,7-10H2,1-2H3.
What are the key properties of 5,6-dimethyl-7-piperazin-1-yl-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidine?
5,6-dimethyl-7-piperazin-1-yl-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidine has a molecular weight of 308.39 g/mol, XLogP of 1.82, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethyl-7-piperazin-1-yl-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 82270589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).