5-(4-fluorophenyl)-7-[4-(4-methyl-2-pyridinyl)piperazin-1-yl]pyrazolo[1,5-a]pyrimidine

C22H21FN6 — CID 56886372

IUPAC5-(4-fluorophenyl)-7-[4-(4-methyl-2-pyridinyl)piperazin-1-yl]pyrazolo[1,5-a]pyrimidine
SMILESCc1ccnc(N2CCN(c3cc(-c4ccc(F)cc4)nc4ccnn34)CC2)c1
InChIInChI=1S/C22H21FN6/c1-16-6-8-24-21(14-16)27-10-12-28(13-11-27)22-15-19(17-2-4-18(23)5-3-17)26-20-7-9-25-29(20)22/h2-9,14-15H,10-13H2,1H3
InChIKeyAGILBYQMCVQRJW-UHFFFAOYSA-N
MW388.45 g/mol
LogP3.57
Rot. Bonds3

About 5-(4-fluorophenyl)-7-[4-(4-methyl-2-pyridinyl)piperazin-1-yl]pyrazolo[1,5-a]pyrimidine

5-(4-fluorophenyl)-7-[4-(4-methyl-2-pyridinyl)piperazin-1-yl]pyrazolo[1,5-a]pyrimidine (PubChem CID 56886372) has the molecular formula C22H21FN6 and a molecular weight of 388.45 g/mol. Its IUPAC name is 5-(4-fluorophenyl)-7-[4-(4-methyl-2-pyridinyl)piperazin-1-yl]pyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name5-(4-fluorophenyl)-7-[4-(4-methyl-2-pyridinyl)piperazin-1-yl]pyrazolo[1,5-a]pyrimidine
PubChem CID56886372
Molecular FormulaC22H21FN6
Molecular Weight388.45 g/mol
Exact Mass388.18
IUPAC Name5-(4-fluorophenyl)-7-[4-(4-methyl-2-pyridinyl)piperazin-1-yl]pyrazolo[1,5-a]pyrimidine
SMILESCc1ccnc(N2CCN(c3cc(-c4ccc(F)cc4)nc4ccnn34)CC2)c1
InChIInChI=1S/C22H21FN6/c1-16-6-8-24-21(14-16)27-10-12-28(13-11-27)22-15-19(17-2-4-18(23)5-3-17)26-20-7-9-25-29(20)22/h2-9,14-15H,10-13H2,1H3
InChIKeyAGILBYQMCVQRJW-UHFFFAOYSA-N
XLogP3.57
TPSA49.56 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.45
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

5-(4-fluorophenyl)-N-[(4-methyl-2-pyridinyl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine
CID 56885537
5-phenyl-7-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidine
CID 154842512
7-(4-methylsulfonylpiperazin-1-yl)-5-phenylpyrazolo[1,5-a]pyrimidine
CID 56883180
7-methyl-5-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine
CID 71200006
7-(1,3-dihydroisoindol-2-yl)-5-phenylpyrazolo[1,5-a]pyrimidine
CID 70704851
5-ethyl-7-(4-pyrazin-2-ylpiperazin-1-yl)pyrazolo[1,5-a]pyrimidine
CID 56899455
6-[4-(5-methylpyrazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine
CID 139027758
7-[(3R)-3-methoxypyrrolidin-1-yl]-5-phenylpyrazolo[1,5-a]pyrimidine
CID 95861445
4-(4-fluorophenyl)-2-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-1,3-thiazole
CID 103597501
7-[4-[2-(5-fluorobenzimidazol-1-yl)ethyl]piperazin-1-yl]-5-methylpyrazolo[1,5-a]pyrimidine
CID 126858667
[4-[2-(4-fluorophenyl)-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl]piperazin-1-yl]-(furan-2-yl)methanone
CID 1441427
1-(5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)piperidin-3-ol
CID 170782938

Frequently Asked Questions

What is the IUPAC name of 5-(4-fluorophenyl)-7-[4-(4-methyl-2-pyridinyl)piperazin-1-yl]pyrazolo[1,5-a]pyrimidine?
The IUPAC name of 5-(4-fluorophenyl)-7-[4-(4-methyl-2-pyridinyl)piperazin-1-yl]pyrazolo[1,5-a]pyrimidine (CID 56886372) is 5-(4-fluorophenyl)-7-[4-(4-methyl-2-pyridinyl)piperazin-1-yl]pyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 5-(4-fluorophenyl)-7-[4-(4-methyl-2-pyridinyl)piperazin-1-yl]pyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 5-(4-fluorophenyl)-7-[4-(4-methyl-2-pyridinyl)piperazin-1-yl]pyrazolo[1,5-a]pyrimidine is Cc1ccnc(N2CCN(c3cc(-c4ccc(F)cc4)nc4ccnn34)CC2)c1.
What is the InChIKey of 5-(4-fluorophenyl)-7-[4-(4-methyl-2-pyridinyl)piperazin-1-yl]pyrazolo[1,5-a]pyrimidine?
The InChIKey is AGILBYQMCVQRJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21FN6/c1-16-6-8-24-21(14-16)27-10-12-28(13-11-27)22-15-19(17-2-4-18(23)5-3-17)26-20-7-9-25-29(20)22/h2-9,14-15H,10-13H2,1H3.
What are the key properties of 5-(4-fluorophenyl)-7-[4-(4-methyl-2-pyridinyl)piperazin-1-yl]pyrazolo[1,5-a]pyrimidine?
5-(4-fluorophenyl)-7-[4-(4-methyl-2-pyridinyl)piperazin-1-yl]pyrazolo[1,5-a]pyrimidine has a molecular weight of 388.45 g/mol, XLogP of 3.57, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluorophenyl)-7-[4-(4-methyl-2-pyridinyl)piperazin-1-yl]pyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 56886372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).