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

C13H14F2N4O2 — CID 159543490

IUPAC5-[(5R)-3,3-difluoro-5-methylpiperidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid
SMILESC[C@H]1CN(c2ccn3ncc(C(=O)O)c3n2)CC(F)(F)C1
InChIInChI=1S/C13H14F2N4O2/c1-8-4-13(14,15)7-18(6-8)10-2-3-19-11(17-10)9(5-16-19)12(20)21/h2-3,5,8H,4,6-7H2,1H3,(H,20,21)/t8-/m1/s1
InChIKeyMEMWWBQQQYJHDZ-MRVPVSSYSA-N
MW296.28 g/mol
LogP1.91
Rot. Bonds2

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

5-[(5R)-3,3-difluoro-5-methylpiperidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid (PubChem CID 159543490) has the molecular formula C13H14F2N4O2 and a molecular weight of 296.28 g/mol. Its IUPAC name is 5-[(5R)-3,3-difluoro-5-methylpiperidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid.

Molecular Properties

Compound Name5-[(5R)-3,3-difluoro-5-methylpiperidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid
PubChem CID159543490
Molecular FormulaC13H14F2N4O2
Molecular Weight296.28 g/mol
Exact Mass296.11
IUPAC Name5-[(5R)-3,3-difluoro-5-methylpiperidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid
SMILESC[C@H]1CN(c2ccn3ncc(C(=O)O)c3n2)CC(F)(F)C1
InChIInChI=1S/C13H14F2N4O2/c1-8-4-13(14,15)7-18(6-8)10-2-3-19-11(17-10)9(5-16-19)12(20)21/h2-3,5,8H,4,6-7H2,1H3,(H,20,21)/t8-/m1/s1
InChIKeyMEMWWBQQQYJHDZ-MRVPVSSYSA-N
XLogP1.91
TPSA70.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.28
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[(5R)-3,3-difluoro-5-methylpiperidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid?
The IUPAC name of 5-[(5R)-3,3-difluoro-5-methylpiperidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid (CID 159543490) is 5-[(5R)-3,3-difluoro-5-methylpiperidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid.
What is the SMILES notation for 5-[(5R)-3,3-difluoro-5-methylpiperidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid?
The canonical SMILES for 5-[(5R)-3,3-difluoro-5-methylpiperidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid is C[C@H]1CN(c2ccn3ncc(C(=O)O)c3n2)CC(F)(F)C1.
What is the InChIKey of 5-[(5R)-3,3-difluoro-5-methylpiperidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid?
The InChIKey is MEMWWBQQQYJHDZ-MRVPVSSYSA-N. The full InChI is InChI=1S/C13H14F2N4O2/c1-8-4-13(14,15)7-18(6-8)10-2-3-19-11(17-10)9(5-16-19)12(20)21/h2-3,5,8H,4,6-7H2,1H3,(H,20,21)/t8-/m1/s1.
What are the key properties of 5-[(5R)-3,3-difluoro-5-methylpiperidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid?
5-[(5R)-3,3-difluoro-5-methylpiperidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid has a molecular weight of 296.28 g/mol, XLogP of 1.91, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(5R)-3,3-difluoro-5-methylpiperidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid is sourced from PubChem (CID 159543490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).