fluoro 2-amino-5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate

C17H14F3N5O2 — CID 166763914

IUPACfluoro 2-amino-5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate
SMILESNc1nn2ccc(N3CCCC3c3cc(F)ccc3F)nc2c1C(=O)OF
InChIInChI=1S/C17H14F3N5O2/c18-9-3-4-11(19)10(8-9)12-2-1-6-24(12)13-5-7-25-16(22-13)14(15(21)23-25)17(26)27-20/h3-5,7-8,12H,1-2,6H2,(H2,21,23)
InChIKeyXCPIYHKYHZETMK-UHFFFAOYSA-N
MW377.33 g/mol
LogP2.97
Rot. Bonds3

About fluoro 2-amino-5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate

fluoro 2-amino-5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate (PubChem CID 166763914) has the molecular formula C17H14F3N5O2 and a molecular weight of 377.33 g/mol. Its IUPAC name is fluoro 2-amino-5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate.

Molecular Properties

Compound Namefluoro 2-amino-5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate
PubChem CID166763914
Molecular FormulaC17H14F3N5O2
Molecular Weight377.33 g/mol
Exact Mass377.11
IUPAC Namefluoro 2-amino-5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate
SMILESNc1nn2ccc(N3CCCC3c3cc(F)ccc3F)nc2c1C(=O)OF
InChIInChI=1S/C17H14F3N5O2/c18-9-3-4-11(19)10(8-9)12-2-1-6-24(12)13-5-7-25-16(22-13)14(15(21)23-25)17(26)27-20/h3-5,7-8,12H,1-2,6H2,(H2,21,23)
InChIKeyXCPIYHKYHZETMK-UHFFFAOYSA-N
XLogP2.97
TPSA85.75 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.33
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-amino-5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]-N,N-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 139449662
2-amino-5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]-N-[2-(dimethylamino)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 139449642
2-amino-5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-N-[2-(dimethylamino)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 134480328
5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]-2-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid
CID 139449703
2-amino-5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-c]pyrimidine-3-carboxylic acid
CID 146257068
5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]-2-(ethylamino)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid
CID 139449700
ethyl 2-amino-5-[2-(2,5-difluorophenyl)-4-fluoropyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate
CID 134480577
5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]-2-[(4-methoxyphenyl)methylamino]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 134480598
5-[(2S)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-2-[(4-methoxyphenyl)methylamino]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 139449663
2-amino-5-[2-(5-fluoro-2-propylphenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carbothioamide
CID 139455205
5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-2-(2-morpholin-4-ylethylamino)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid
CID 139449691
ethyl 4-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-11-oxo-3,7,8,10-tetrazatricyclo[7.4.0.02,7]trideca-1,3,5,8,12-pentaene-12-carboxylate
CID 146822521

Frequently Asked Questions

What is the IUPAC name of fluoro 2-amino-5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate?
The IUPAC name of fluoro 2-amino-5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate (CID 166763914) is fluoro 2-amino-5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate.
What is the SMILES notation for fluoro 2-amino-5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate?
The canonical SMILES for fluoro 2-amino-5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate is Nc1nn2ccc(N3CCCC3c3cc(F)ccc3F)nc2c1C(=O)OF.
What is the InChIKey of fluoro 2-amino-5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate?
The InChIKey is XCPIYHKYHZETMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F3N5O2/c18-9-3-4-11(19)10(8-9)12-2-1-6-24(12)13-5-7-25-16(22-13)14(15(21)23-25)17(26)27-20/h3-5,7-8,12H,1-2,6H2,(H2,21,23).
What are the key properties of fluoro 2-amino-5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate?
fluoro 2-amino-5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate has a molecular weight of 377.33 g/mol, XLogP of 2.97, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for fluoro 2-amino-5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate is sourced from PubChem (CID 166763914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).