4-[4-[[1-(difluoromethyl)imidazol-2-yl]methyl]piperazin-1-yl]-1-methylpyrazolo[5,4-d]pyrimidine

C15H18F2N8 — CID 18150409

IUPAC4-[4-[[1-(difluoromethyl)imidazol-2-yl]methyl]piperazin-1-yl]-1-methylpyrazolo[5,4-d]pyrimidine
SMILESCn1ncc2c(N3CCN(Cc4nccn4C(F)F)CC3)ncnc21
InChIInChI=1S/C15H18F2N8/c1-22-13-11(8-21-22)14(20-10-19-13)24-6-4-23(5-7-24)9-12-18-2-3-25(12)15(16)17/h2-3,8,10,15H,4-7,9H2,1H3
InChIKeyJXLGOLZHYJRMKA-UHFFFAOYSA-N
MW348.36 g/mol
LogP1.28
Rot. Bonds4

About 4-[4-[[1-(difluoromethyl)imidazol-2-yl]methyl]piperazin-1-yl]-1-methylpyrazolo[5,4-d]pyrimidine

4-[4-[[1-(difluoromethyl)imidazol-2-yl]methyl]piperazin-1-yl]-1-methylpyrazolo[5,4-d]pyrimidine (PubChem CID 18150409) has the molecular formula C15H18F2N8 and a molecular weight of 348.36 g/mol. Its IUPAC name is 4-[4-[[1-(difluoromethyl)imidazol-2-yl]methyl]piperazin-1-yl]-1-methylpyrazolo[5,4-d]pyrimidine.

Molecular Properties

Compound Name4-[4-[[1-(difluoromethyl)imidazol-2-yl]methyl]piperazin-1-yl]-1-methylpyrazolo[5,4-d]pyrimidine
PubChem CID18150409
Molecular FormulaC15H18F2N8
Molecular Weight348.36 g/mol
Exact Mass348.16
IUPAC Name4-[4-[[1-(difluoromethyl)imidazol-2-yl]methyl]piperazin-1-yl]-1-methylpyrazolo[5,4-d]pyrimidine
SMILESCn1ncc2c(N3CCN(Cc4nccn4C(F)F)CC3)ncnc21
InChIInChI=1S/C15H18F2N8/c1-22-13-11(8-21-22)14(20-10-19-13)24-6-4-23(5-7-24)9-12-18-2-3-25(12)15(16)17/h2-3,8,10,15H,4-7,9H2,1H3
InChIKeyJXLGOLZHYJRMKA-UHFFFAOYSA-N
XLogP1.28
TPSA67.90 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.36
LogP ≤ 51.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-[4-[[1-(difluoromethyl)imidazol-2-yl]methyl]piperazin-1-yl]-1-methylpyrazolo[5,4-d]pyrimidine?
The IUPAC name of 4-[4-[[1-(difluoromethyl)imidazol-2-yl]methyl]piperazin-1-yl]-1-methylpyrazolo[5,4-d]pyrimidine (CID 18150409) is 4-[4-[[1-(difluoromethyl)imidazol-2-yl]methyl]piperazin-1-yl]-1-methylpyrazolo[5,4-d]pyrimidine.
What is the SMILES notation for 4-[4-[[1-(difluoromethyl)imidazol-2-yl]methyl]piperazin-1-yl]-1-methylpyrazolo[5,4-d]pyrimidine?
The canonical SMILES for 4-[4-[[1-(difluoromethyl)imidazol-2-yl]methyl]piperazin-1-yl]-1-methylpyrazolo[5,4-d]pyrimidine is Cn1ncc2c(N3CCN(Cc4nccn4C(F)F)CC3)ncnc21.
What is the InChIKey of 4-[4-[[1-(difluoromethyl)imidazol-2-yl]methyl]piperazin-1-yl]-1-methylpyrazolo[5,4-d]pyrimidine?
The InChIKey is JXLGOLZHYJRMKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18F2N8/c1-22-13-11(8-21-22)14(20-10-19-13)24-6-4-23(5-7-24)9-12-18-2-3-25(12)15(16)17/h2-3,8,10,15H,4-7,9H2,1H3.
What are the key properties of 4-[4-[[1-(difluoromethyl)imidazol-2-yl]methyl]piperazin-1-yl]-1-methylpyrazolo[5,4-d]pyrimidine?
4-[4-[[1-(difluoromethyl)imidazol-2-yl]methyl]piperazin-1-yl]-1-methylpyrazolo[5,4-d]pyrimidine has a molecular weight of 348.36 g/mol, XLogP of 1.28, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[[1-(difluoromethyl)imidazol-2-yl]methyl]piperazin-1-yl]-1-methylpyrazolo[5,4-d]pyrimidine is sourced from PubChem (CID 18150409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).