5-amino-2-(5,5-difluoropiperidin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide

C12H14F2N6O — CID 134263333

IUPAC5-amino-2-(5,5-difluoropiperidin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESNC(=O)c1c(C2CNCC(F)(F)C2)nn2ccc(N)nc12
InChIInChI=1S/C12H14F2N6O/c13-12(14)3-6(4-17-5-12)9-8(10(16)21)11-18-7(15)1-2-20(11)19-9/h1-2,6,17H,3-5H2,(H2,15,18)(H2,16,21)
InChIKeyOUHBEXWOLGPQMY-UHFFFAOYSA-N
MW296.28 g/mol
LogP0.12
Rot. Bonds2

About 5-amino-2-(5,5-difluoropiperidin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide

5-amino-2-(5,5-difluoropiperidin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 134263333) has the molecular formula C12H14F2N6O and a molecular weight of 296.28 g/mol. Its IUPAC name is 5-amino-2-(5,5-difluoropiperidin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name5-amino-2-(5,5-difluoropiperidin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID134263333
Molecular FormulaC12H14F2N6O
Molecular Weight296.28 g/mol
Exact Mass296.12
IUPAC Name5-amino-2-(5,5-difluoropiperidin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESNC(=O)c1c(C2CNCC(F)(F)C2)nn2ccc(N)nc12
InChIInChI=1S/C12H14F2N6O/c13-12(14)3-6(4-17-5-12)9-8(10(16)21)11-18-7(15)1-2-20(11)19-9/h1-2,6,17H,3-5H2,(H2,15,18)(H2,16,21)
InChIKeyOUHBEXWOLGPQMY-UHFFFAOYSA-N
XLogP0.12
TPSA111.33 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.28
LogP ≤ 50.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-amino-2-(5,5-difluoropiperidin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of 5-amino-2-(5,5-difluoropiperidin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 134263333) is 5-amino-2-(5,5-difluoropiperidin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 5-amino-2-(5,5-difluoropiperidin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for 5-amino-2-(5,5-difluoropiperidin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide is NC(=O)c1c(C2CNCC(F)(F)C2)nn2ccc(N)nc12.
What is the InChIKey of 5-amino-2-(5,5-difluoropiperidin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is OUHBEXWOLGPQMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F2N6O/c13-12(14)3-6(4-17-5-12)9-8(10(16)21)11-18-7(15)1-2-20(11)19-9/h1-2,6,17H,3-5H2,(H2,15,18)(H2,16,21).
What are the key properties of 5-amino-2-(5,5-difluoropiperidin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
5-amino-2-(5,5-difluoropiperidin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 296.28 g/mol, XLogP of 0.12, 2 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-(5,5-difluoropiperidin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 134263333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).