5-[(5R)-5-amino-3,3-difluoropiperidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid

C12H13F2N5O2 — CID 146598556

IUPAC5-[(5R)-5-amino-3,3-difluoropiperidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid
SMILESN[C@H]1CN(c2ccn3ncc(C(=O)O)c3n2)CC(F)(F)C1
InChIInChI=1S/C12H13F2N5O2/c13-12(14)3-7(15)5-18(6-12)9-1-2-19-10(17-9)8(4-16-19)11(20)21/h1-2,4,7H,3,5-6,15H2,(H,20,21)/t7-/m1/s1
InChIKeyWRNHIYZSUDPIMV-SSDOTTSWSA-N
MW297.27 g/mol
LogP0.60
Rot. Bonds2

About 5-[(5R)-5-amino-3,3-difluoropiperidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid

5-[(5R)-5-amino-3,3-difluoropiperidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid (PubChem CID 146598556) has the molecular formula C12H13F2N5O2 and a molecular weight of 297.27 g/mol. Its IUPAC name is 5-[(5R)-5-amino-3,3-difluoropiperidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid.

Molecular Properties

Compound Name5-[(5R)-5-amino-3,3-difluoropiperidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid
PubChem CID146598556
Molecular FormulaC12H13F2N5O2
Molecular Weight297.27 g/mol
Exact Mass297.10
IUPAC Name5-[(5R)-5-amino-3,3-difluoropiperidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid
SMILESN[C@H]1CN(c2ccn3ncc(C(=O)O)c3n2)CC(F)(F)C1
InChIInChI=1S/C12H13F2N5O2/c13-12(14)3-7(15)5-18(6-12)9-1-2-19-10(17-9)8(4-16-19)11(20)21/h1-2,4,7H,3,5-6,15H2,(H,20,21)/t7-/m1/s1
InChIKeyWRNHIYZSUDPIMV-SSDOTTSWSA-N
XLogP0.60
TPSA96.75 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.27
LogP ≤ 50.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[(5R)-5-amino-3,3-difluoropiperidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid?
The IUPAC name of 5-[(5R)-5-amino-3,3-difluoropiperidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid (CID 146598556) is 5-[(5R)-5-amino-3,3-difluoropiperidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid.
What is the SMILES notation for 5-[(5R)-5-amino-3,3-difluoropiperidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid?
The canonical SMILES for 5-[(5R)-5-amino-3,3-difluoropiperidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid is N[C@H]1CN(c2ccn3ncc(C(=O)O)c3n2)CC(F)(F)C1.
What is the InChIKey of 5-[(5R)-5-amino-3,3-difluoropiperidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid?
The InChIKey is WRNHIYZSUDPIMV-SSDOTTSWSA-N. The full InChI is InChI=1S/C12H13F2N5O2/c13-12(14)3-7(15)5-18(6-12)9-1-2-19-10(17-9)8(4-16-19)11(20)21/h1-2,4,7H,3,5-6,15H2,(H,20,21)/t7-/m1/s1.
What are the key properties of 5-[(5R)-5-amino-3,3-difluoropiperidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid?
5-[(5R)-5-amino-3,3-difluoropiperidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid has a molecular weight of 297.27 g/mol, XLogP of 0.60, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(5R)-5-amino-3,3-difluoropiperidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid is sourced from PubChem (CID 146598556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).