4-(4,4-difluoropiperidin-1-yl)-1-(2-piperidin-1-ylethyl)pyrazolo[5,4-d]pyrimidine

C17H24F2N6 — CID 71226340

IUPAC4-(4,4-difluoropiperidin-1-yl)-1-(2-piperidin-1-ylethyl)pyrazolo[5,4-d]pyrimidine
SMILESFC1(F)CCN(c2ncnc3c2cnn3CCN2CCCCC2)CC1
InChIInChI=1S/C17H24F2N6/c18-17(19)4-8-24(9-5-17)15-14-12-22-25(16(14)21-13-20-15)11-10-23-6-2-1-3-7-23/h12-13H,1-11H2
InChIKeySRZDNGAZYBLHGC-UHFFFAOYSA-N
MW350.42 g/mol
LogP2.55
Rot. Bonds4

About 4-(4,4-difluoropiperidin-1-yl)-1-(2-piperidin-1-ylethyl)pyrazolo[5,4-d]pyrimidine

4-(4,4-difluoropiperidin-1-yl)-1-(2-piperidin-1-ylethyl)pyrazolo[5,4-d]pyrimidine (PubChem CID 71226340) has the molecular formula C17H24F2N6 and a molecular weight of 350.42 g/mol. Its IUPAC name is 4-(4,4-difluoropiperidin-1-yl)-1-(2-piperidin-1-ylethyl)pyrazolo[5,4-d]pyrimidine.

Molecular Properties

Compound Name4-(4,4-difluoropiperidin-1-yl)-1-(2-piperidin-1-ylethyl)pyrazolo[5,4-d]pyrimidine
PubChem CID71226340
Molecular FormulaC17H24F2N6
Molecular Weight350.42 g/mol
Exact Mass350.20
IUPAC Name4-(4,4-difluoropiperidin-1-yl)-1-(2-piperidin-1-ylethyl)pyrazolo[5,4-d]pyrimidine
SMILESFC1(F)CCN(c2ncnc3c2cnn3CCN2CCCCC2)CC1
InChIInChI=1S/C17H24F2N6/c18-17(19)4-8-24(9-5-17)15-14-12-22-25(16(14)21-13-20-15)11-10-23-6-2-1-3-7-23/h12-13H,1-11H2
InChIKeySRZDNGAZYBLHGC-UHFFFAOYSA-N
XLogP2.55
TPSA50.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(4,4-difluoropiperidin-1-yl)-1-(2-piperidin-1-ylethyl)pyrazolo[5,4-d]pyrimidine?
The IUPAC name of 4-(4,4-difluoropiperidin-1-yl)-1-(2-piperidin-1-ylethyl)pyrazolo[5,4-d]pyrimidine (CID 71226340) is 4-(4,4-difluoropiperidin-1-yl)-1-(2-piperidin-1-ylethyl)pyrazolo[5,4-d]pyrimidine.
What is the SMILES notation for 4-(4,4-difluoropiperidin-1-yl)-1-(2-piperidin-1-ylethyl)pyrazolo[5,4-d]pyrimidine?
The canonical SMILES for 4-(4,4-difluoropiperidin-1-yl)-1-(2-piperidin-1-ylethyl)pyrazolo[5,4-d]pyrimidine is FC1(F)CCN(c2ncnc3c2cnn3CCN2CCCCC2)CC1.
What is the InChIKey of 4-(4,4-difluoropiperidin-1-yl)-1-(2-piperidin-1-ylethyl)pyrazolo[5,4-d]pyrimidine?
The InChIKey is SRZDNGAZYBLHGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24F2N6/c18-17(19)4-8-24(9-5-17)15-14-12-22-25(16(14)21-13-20-15)11-10-23-6-2-1-3-7-23/h12-13H,1-11H2.
What are the key properties of 4-(4,4-difluoropiperidin-1-yl)-1-(2-piperidin-1-ylethyl)pyrazolo[5,4-d]pyrimidine?
4-(4,4-difluoropiperidin-1-yl)-1-(2-piperidin-1-ylethyl)pyrazolo[5,4-d]pyrimidine has a molecular weight of 350.42 g/mol, XLogP of 2.55, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4,4-difluoropiperidin-1-yl)-1-(2-piperidin-1-ylethyl)pyrazolo[5,4-d]pyrimidine is sourced from PubChem (CID 71226340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).