5-[(2R,4S)-4-fluoro-2-(5-fluoro-2-methoxy-3-pyridinyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carbonitrile

C17H14F2N6O — CID 129137805

IUPAC5-[(2R,4S)-4-fluoro-2-(5-fluoro-2-methoxy-3-pyridinyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carbonitrile
SMILESCOc1ncc(F)cc1[C@H]1C[C@H](F)CN1c1ccn2ncc(C#N)c2n1
InChIInChI=1S/C17H14F2N6O/c1-26-17-13(4-11(18)8-21-17)14-5-12(19)9-24(14)15-2-3-25-16(23-15)10(6-20)7-22-25/h2-4,7-8,12,14H,5,9H2,1H3/t12-,14+/m0/s1
InChIKeyVHOLGUPBIVPOIB-GXTWGEPZSA-N
MW356.34 g/mol
LogP2.43
Rot. Bonds3

About 5-[(2R,4S)-4-fluoro-2-(5-fluoro-2-methoxy-3-pyridinyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carbonitrile

5-[(2R,4S)-4-fluoro-2-(5-fluoro-2-methoxy-3-pyridinyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carbonitrile (PubChem CID 129137805) has the molecular formula C17H14F2N6O and a molecular weight of 356.34 g/mol. Its IUPAC name is 5-[(2R,4S)-4-fluoro-2-(5-fluoro-2-methoxy-3-pyridinyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carbonitrile.

Molecular Properties

Compound Name5-[(2R,4S)-4-fluoro-2-(5-fluoro-2-methoxy-3-pyridinyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carbonitrile
PubChem CID129137805
Molecular FormulaC17H14F2N6O
Molecular Weight356.34 g/mol
Exact Mass356.12
IUPAC Name5-[(2R,4S)-4-fluoro-2-(5-fluoro-2-methoxy-3-pyridinyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carbonitrile
SMILESCOc1ncc(F)cc1[C@H]1C[C@H](F)CN1c1ccn2ncc(C#N)c2n1
InChIInChI=1S/C17H14F2N6O/c1-26-17-13(4-11(18)8-21-17)14-5-12(19)9-24(14)15-2-3-25-16(23-15)10(6-20)7-22-25/h2-4,7-8,12,14H,5,9H2,1H3/t12-,14+/m0/s1
InChIKeyVHOLGUPBIVPOIB-GXTWGEPZSA-N
XLogP2.43
TPSA79.34 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.34
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 5-[(2R,4S)-4-fluoro-2-(5-fluoro-2-methoxy-3-pyridinyl)pyrrolidin-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)-4-fluoro-2-(5-fluoro-2-methoxy-3-pyridinyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carbonitrile?
The IUPAC name of 5-[(2R,4S)-4-fluoro-2-(5-fluoro-2-methoxy-3-pyridinyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carbonitrile (CID 129137805) is 5-[(2R,4S)-4-fluoro-2-(5-fluoro-2-methoxy-3-pyridinyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carbonitrile.
What is the SMILES notation for 5-[(2R,4S)-4-fluoro-2-(5-fluoro-2-methoxy-3-pyridinyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carbonitrile?
The canonical SMILES for 5-[(2R,4S)-4-fluoro-2-(5-fluoro-2-methoxy-3-pyridinyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carbonitrile is COc1ncc(F)cc1[C@H]1C[C@H](F)CN1c1ccn2ncc(C#N)c2n1.
What is the InChIKey of 5-[(2R,4S)-4-fluoro-2-(5-fluoro-2-methoxy-3-pyridinyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carbonitrile?
The InChIKey is VHOLGUPBIVPOIB-GXTWGEPZSA-N. The full InChI is InChI=1S/C17H14F2N6O/c1-26-17-13(4-11(18)8-21-17)14-5-12(19)9-24(14)15-2-3-25-16(23-15)10(6-20)7-22-25/h2-4,7-8,12,14H,5,9H2,1H3/t12-,14+/m0/s1.
What are the key properties of 5-[(2R,4S)-4-fluoro-2-(5-fluoro-2-methoxy-3-pyridinyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carbonitrile?
5-[(2R,4S)-4-fluoro-2-(5-fluoro-2-methoxy-3-pyridinyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carbonitrile has a molecular weight of 356.34 g/mol, XLogP of 2.43, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2R,4S)-4-fluoro-2-(5-fluoro-2-methoxy-3-pyridinyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carbonitrile is sourced from PubChem (CID 129137805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).