5-[(2R,4S)-2-(3-cyano-5-fluorophenyl)-4-fluoropyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carbonitrile

C18H12F2N6 — CID 129137802

IUPAC5-[(2R,4S)-2-(3-cyano-5-fluorophenyl)-4-fluoropyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carbonitrile
SMILESN#Cc1cc(F)cc([C@H]2C[C@H](F)CN2c2ccn3ncc(C#N)c3n2)c1
InChIInChI=1S/C18H12F2N6/c19-14-4-11(7-21)3-12(5-14)16-6-15(20)10-25(16)17-1-2-26-18(24-17)13(8-22)9-23-26/h1-5,9,15-16H,6,10H2/t15-,16+/m0/s1
InChIKeyDFYUAYQCZPRUBS-JKSUJKDBSA-N
MW350.33 g/mol
LogP2.90
Rot. Bonds2

About 5-[(2R,4S)-2-(3-cyano-5-fluorophenyl)-4-fluoropyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carbonitrile

5-[(2R,4S)-2-(3-cyano-5-fluorophenyl)-4-fluoropyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carbonitrile (PubChem CID 129137802) has the molecular formula C18H12F2N6 and a molecular weight of 350.33 g/mol. Its IUPAC name is 5-[(2R,4S)-2-(3-cyano-5-fluorophenyl)-4-fluoropyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carbonitrile.

Molecular Properties

Compound Name5-[(2R,4S)-2-(3-cyano-5-fluorophenyl)-4-fluoropyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carbonitrile
PubChem CID129137802
Molecular FormulaC18H12F2N6
Molecular Weight350.33 g/mol
Exact Mass350.11
IUPAC Name5-[(2R,4S)-2-(3-cyano-5-fluorophenyl)-4-fluoropyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carbonitrile
SMILESN#Cc1cc(F)cc([C@H]2C[C@H](F)CN2c2ccn3ncc(C#N)c3n2)c1
InChIInChI=1S/C18H12F2N6/c19-14-4-11(7-21)3-12(5-14)16-6-15(20)10-25(16)17-1-2-26-18(24-17)13(8-22)9-23-26/h1-5,9,15-16H,6,10H2/t15-,16+/m0/s1
InChIKeyDFYUAYQCZPRUBS-JKSUJKDBSA-N
XLogP2.90
TPSA81.01 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.33
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 5-[(2R,4S)-2-(3-cyano-5-fluorophenyl)-4-fluoropyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-[(2R,4S)-2-(3-cyano-5-fluorophenyl)-4-fluoropyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carbonitrile?
The IUPAC name of 5-[(2R,4S)-2-(3-cyano-5-fluorophenyl)-4-fluoropyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carbonitrile (CID 129137802) is 5-[(2R,4S)-2-(3-cyano-5-fluorophenyl)-4-fluoropyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carbonitrile.
What is the SMILES notation for 5-[(2R,4S)-2-(3-cyano-5-fluorophenyl)-4-fluoropyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carbonitrile?
The canonical SMILES for 5-[(2R,4S)-2-(3-cyano-5-fluorophenyl)-4-fluoropyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carbonitrile is N#Cc1cc(F)cc([C@H]2C[C@H](F)CN2c2ccn3ncc(C#N)c3n2)c1.
What is the InChIKey of 5-[(2R,4S)-2-(3-cyano-5-fluorophenyl)-4-fluoropyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carbonitrile?
The InChIKey is DFYUAYQCZPRUBS-JKSUJKDBSA-N. The full InChI is InChI=1S/C18H12F2N6/c19-14-4-11(7-21)3-12(5-14)16-6-15(20)10-25(16)17-1-2-26-18(24-17)13(8-22)9-23-26/h1-5,9,15-16H,6,10H2/t15-,16+/m0/s1.
What are the key properties of 5-[(2R,4S)-2-(3-cyano-5-fluorophenyl)-4-fluoropyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carbonitrile?
5-[(2R,4S)-2-(3-cyano-5-fluorophenyl)-4-fluoropyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carbonitrile has a molecular weight of 350.33 g/mol, XLogP of 2.90, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2R,4S)-2-(3-cyano-5-fluorophenyl)-4-fluoropyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carbonitrile is sourced from PubChem (CID 129137802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).