2-amino-5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid

C17H15F2N5O2 — CID 134480502

IUPAC2-amino-5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid
SMILESNc1nn2ccc(N3CCC[C@@H]3c3cc(F)ccc3F)nc2c1C(=O)O
InChIInChI=1S/C17H15F2N5O2/c18-9-3-4-11(19)10(8-9)12-2-1-6-23(12)13-5-7-24-16(21-13)14(17(25)26)15(20)22-24/h3-5,7-8,12H,1-2,6H2,(H2,20,22)(H,25,26)/t12-/m1/s1
InChIKeyHJYYBUFRTAGSFM-GFCCVEGCSA-N
MW359.34 g/mol
LogP2.63
Rot. Bonds3

About 2-amino-5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid

2-amino-5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid (PubChem CID 134480502) has the molecular formula C17H15F2N5O2 and a molecular weight of 359.34 g/mol. Its IUPAC name is 2-amino-5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid.

Molecular Properties

Compound Name2-amino-5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid
PubChem CID134480502
Molecular FormulaC17H15F2N5O2
Molecular Weight359.34 g/mol
Exact Mass359.12
IUPAC Name2-amino-5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid
SMILESNc1nn2ccc(N3CCC[C@@H]3c3cc(F)ccc3F)nc2c1C(=O)O
InChIInChI=1S/C17H15F2N5O2/c18-9-3-4-11(19)10(8-9)12-2-1-6-23(12)13-5-7-24-16(21-13)14(17(25)26)15(20)22-24/h3-5,7-8,12H,1-2,6H2,(H2,20,22)(H,25,26)/t12-/m1/s1
InChIKeyHJYYBUFRTAGSFM-GFCCVEGCSA-N
XLogP2.63
TPSA96.75 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.34
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-amino-5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid?
The IUPAC name of 2-amino-5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid (CID 134480502) is 2-amino-5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid.
What is the SMILES notation for 2-amino-5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid?
The canonical SMILES for 2-amino-5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid is Nc1nn2ccc(N3CCC[C@@H]3c3cc(F)ccc3F)nc2c1C(=O)O.
What is the InChIKey of 2-amino-5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid?
The InChIKey is HJYYBUFRTAGSFM-GFCCVEGCSA-N. The full InChI is InChI=1S/C17H15F2N5O2/c18-9-3-4-11(19)10(8-9)12-2-1-6-23(12)13-5-7-24-16(21-13)14(17(25)26)15(20)22-24/h3-5,7-8,12H,1-2,6H2,(H2,20,22)(H,25,26)/t12-/m1/s1.
What are the key properties of 2-amino-5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid?
2-amino-5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid has a molecular weight of 359.34 g/mol, XLogP of 2.63, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid is sourced from PubChem (CID 134480502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).