7-[4-[2-(5-fluorobenzimidazol-1-yl)ethyl]piperazin-1-yl]-5-methylpyrazolo[1,5-a]pyrimidine

C20H22FN7 — CID 126858667

IUPAC7-[4-[2-(5-fluorobenzimidazol-1-yl)ethyl]piperazin-1-yl]-5-methylpyrazolo[1,5-a]pyrimidine
SMILESCc1cc(N2CCN(CCn3cnc4cc(F)ccc43)CC2)n2nccc2n1
InChIInChI=1S/C20H22FN7/c1-15-12-20(28-19(24-15)4-5-23-28)26-9-6-25(7-10-26)8-11-27-14-22-17-13-16(21)2-3-18(17)27/h2-5,12-14H,6-11H2,1H3
InChIKeyPNBVZAVJBZKNDT-UHFFFAOYSA-N
MW379.44 g/mol
LogP2.35
Rot. Bonds4

About 7-[4-[2-(5-fluorobenzimidazol-1-yl)ethyl]piperazin-1-yl]-5-methylpyrazolo[1,5-a]pyrimidine

7-[4-[2-(5-fluorobenzimidazol-1-yl)ethyl]piperazin-1-yl]-5-methylpyrazolo[1,5-a]pyrimidine (PubChem CID 126858667) has the molecular formula C20H22FN7 and a molecular weight of 379.44 g/mol. Its IUPAC name is 7-[4-[2-(5-fluorobenzimidazol-1-yl)ethyl]piperazin-1-yl]-5-methylpyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name7-[4-[2-(5-fluorobenzimidazol-1-yl)ethyl]piperazin-1-yl]-5-methylpyrazolo[1,5-a]pyrimidine
PubChem CID126858667
Molecular FormulaC20H22FN7
Molecular Weight379.44 g/mol
Exact Mass379.19
IUPAC Name7-[4-[2-(5-fluorobenzimidazol-1-yl)ethyl]piperazin-1-yl]-5-methylpyrazolo[1,5-a]pyrimidine
SMILESCc1cc(N2CCN(CCn3cnc4cc(F)ccc43)CC2)n2nccc2n1
InChIInChI=1S/C20H22FN7/c1-15-12-20(28-19(24-15)4-5-23-28)26-9-6-25(7-10-26)8-11-27-14-22-17-13-16(21)2-3-18(17)27/h2-5,12-14H,6-11H2,1H3
InChIKeyPNBVZAVJBZKNDT-UHFFFAOYSA-N
XLogP2.35
TPSA54.49 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.44
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 7-[4-[2-(5-fluorobenzimidazol-1-yl)ethyl]piperazin-1-yl]-5-methylpyrazolo[1,5-a]pyrimidine?
The IUPAC name of 7-[4-[2-(5-fluorobenzimidazol-1-yl)ethyl]piperazin-1-yl]-5-methylpyrazolo[1,5-a]pyrimidine (CID 126858667) is 7-[4-[2-(5-fluorobenzimidazol-1-yl)ethyl]piperazin-1-yl]-5-methylpyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 7-[4-[2-(5-fluorobenzimidazol-1-yl)ethyl]piperazin-1-yl]-5-methylpyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 7-[4-[2-(5-fluorobenzimidazol-1-yl)ethyl]piperazin-1-yl]-5-methylpyrazolo[1,5-a]pyrimidine is Cc1cc(N2CCN(CCn3cnc4cc(F)ccc43)CC2)n2nccc2n1.
What is the InChIKey of 7-[4-[2-(5-fluorobenzimidazol-1-yl)ethyl]piperazin-1-yl]-5-methylpyrazolo[1,5-a]pyrimidine?
The InChIKey is PNBVZAVJBZKNDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22FN7/c1-15-12-20(28-19(24-15)4-5-23-28)26-9-6-25(7-10-26)8-11-27-14-22-17-13-16(21)2-3-18(17)27/h2-5,12-14H,6-11H2,1H3.
What are the key properties of 7-[4-[2-(5-fluorobenzimidazol-1-yl)ethyl]piperazin-1-yl]-5-methylpyrazolo[1,5-a]pyrimidine?
7-[4-[2-(5-fluorobenzimidazol-1-yl)ethyl]piperazin-1-yl]-5-methylpyrazolo[1,5-a]pyrimidine has a molecular weight of 379.44 g/mol, XLogP of 2.35, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[4-[2-(5-fluorobenzimidazol-1-yl)ethyl]piperazin-1-yl]-5-methylpyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 126858667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).