2,5-dimethyl-7-[4-(6-pyridin-3-ylpyridazin-3-yl)piperazin-1-yl]pyrazolo[1,5-a]pyrimidine

C21H22N8 — CID 139027856

IUPAC2,5-dimethyl-7-[4-(6-pyridin-3-ylpyridazin-3-yl)piperazin-1-yl]pyrazolo[1,5-a]pyrimidine
SMILESCc1cc(N2CCN(c3ccc(-c4cccnc4)nn3)CC2)n2nc(C)cc2n1
InChIInChI=1S/C21H22N8/c1-15-13-21(29-20(23-15)12-16(2)26-29)28-10-8-27(9-11-28)19-6-5-18(24-25-19)17-4-3-7-22-14-17/h3-7,12-14H,8-11H2,1-2H3
InChIKeyJESMUUYBQGXYOP-UHFFFAOYSA-N
MW386.46 g/mol
LogP2.52
Rot. Bonds3

About 2,5-dimethyl-7-[4-(6-pyridin-3-ylpyridazin-3-yl)piperazin-1-yl]pyrazolo[1,5-a]pyrimidine

2,5-dimethyl-7-[4-(6-pyridin-3-ylpyridazin-3-yl)piperazin-1-yl]pyrazolo[1,5-a]pyrimidine (PubChem CID 139027856) has the molecular formula C21H22N8 and a molecular weight of 386.46 g/mol. Its IUPAC name is 2,5-dimethyl-7-[4-(6-pyridin-3-ylpyridazin-3-yl)piperazin-1-yl]pyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name2,5-dimethyl-7-[4-(6-pyridin-3-ylpyridazin-3-yl)piperazin-1-yl]pyrazolo[1,5-a]pyrimidine
PubChem CID139027856
Molecular FormulaC21H22N8
Molecular Weight386.46 g/mol
Exact Mass386.20
IUPAC Name2,5-dimethyl-7-[4-(6-pyridin-3-ylpyridazin-3-yl)piperazin-1-yl]pyrazolo[1,5-a]pyrimidine
SMILESCc1cc(N2CCN(c3ccc(-c4cccnc4)nn3)CC2)n2nc(C)cc2n1
InChIInChI=1S/C21H22N8/c1-15-13-21(29-20(23-15)12-16(2)26-29)28-10-8-27(9-11-28)19-6-5-18(24-25-19)17-4-3-7-22-14-17/h3-7,12-14H,8-11H2,1-2H3
InChIKeyJESMUUYBQGXYOP-UHFFFAOYSA-N
XLogP2.52
TPSA75.34 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.46
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

2-methyl-4-[4-(6-pyridin-3-ylpyridazin-3-yl)piperazin-1-yl]pyrimidine
CID 139029254
2-methyl-5-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine
CID 83709189
[4-[2-(4-methoxyphenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]piperazin-1-yl]-pyridin-3-ylmethanone
CID 44607977
2-methyl-7-(4-methylpiperazin-1-yl)-5-phenylpyrazolo[1,5-a]pyrimidine
CID 170092679
5-methyl-2-pyridin-3-yl-7-pyrrolidin-1-yl-[1,2,4]triazolo[1,5-a]pyrimidine
CID 27186929
2-[2-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]ethyl]-6-pyridin-3-ylpyridazin-3-one
CID 126915576
7-[4-(3-chlorophenyl)piperazin-1-yl]-5-methyl-2-phenylpyrazolo[1,5-a]pyrimidine
CID 4144309
7-[4-[2-cyclopropyl-6-(difluoromethyl)pyrimidin-4-yl]piperazin-1-yl]-2,5-dimethylpyrazolo[1,5-a]pyrimidine
CID 154829283
3-methyl-6-pyridin-3-ylpyridazine
CID 89161646
5-methyl-2-phenyl-7-piperazin-1-ylpyrazolo[1,5-a]pyrimidine
CID 82270537
2,5-dimethyl-7-[4-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]pyrazolo[1,5-a]pyrimidine
CID 154882870
[4-(dimethylamino)phenyl]-[4-(6-pyridin-3-ylpyridazin-3-yl)piperazin-1-yl]methanone
CID 121058362

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-7-[4-(6-pyridin-3-ylpyridazin-3-yl)piperazin-1-yl]pyrazolo[1,5-a]pyrimidine?
The IUPAC name of 2,5-dimethyl-7-[4-(6-pyridin-3-ylpyridazin-3-yl)piperazin-1-yl]pyrazolo[1,5-a]pyrimidine (CID 139027856) is 2,5-dimethyl-7-[4-(6-pyridin-3-ylpyridazin-3-yl)piperazin-1-yl]pyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 2,5-dimethyl-7-[4-(6-pyridin-3-ylpyridazin-3-yl)piperazin-1-yl]pyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 2,5-dimethyl-7-[4-(6-pyridin-3-ylpyridazin-3-yl)piperazin-1-yl]pyrazolo[1,5-a]pyrimidine is Cc1cc(N2CCN(c3ccc(-c4cccnc4)nn3)CC2)n2nc(C)cc2n1.
What is the InChIKey of 2,5-dimethyl-7-[4-(6-pyridin-3-ylpyridazin-3-yl)piperazin-1-yl]pyrazolo[1,5-a]pyrimidine?
The InChIKey is JESMUUYBQGXYOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N8/c1-15-13-21(29-20(23-15)12-16(2)26-29)28-10-8-27(9-11-28)19-6-5-18(24-25-19)17-4-3-7-22-14-17/h3-7,12-14H,8-11H2,1-2H3.
What are the key properties of 2,5-dimethyl-7-[4-(6-pyridin-3-ylpyridazin-3-yl)piperazin-1-yl]pyrazolo[1,5-a]pyrimidine?
2,5-dimethyl-7-[4-(6-pyridin-3-ylpyridazin-3-yl)piperazin-1-yl]pyrazolo[1,5-a]pyrimidine has a molecular weight of 386.46 g/mol, XLogP of 2.52, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-7-[4-(6-pyridin-3-ylpyridazin-3-yl)piperazin-1-yl]pyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 139027856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).