3-[5-(3-fluoro-4-pyridinyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]-3-hydroxy-N,N-dimethylpropanamide

C16H20FN5O2 — CID 91841528

IUPAC3-[5-(3-fluoro-4-pyridinyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]-3-hydroxy-N,N-dimethylpropanamide
SMILESCN(C)C(=O)CC(O)c1cc2n(n1)CCN(c1ccncc1F)C2
InChIInChI=1S/C16H20FN5O2/c1-20(2)16(24)8-15(23)13-7-11-10-21(5-6-22(11)19-13)14-3-4-18-9-12(14)17/h3-4,7,9,15,23H,5-6,8,10H2,1-2H3
InChIKeyQYDMLKQNSQBLEG-UHFFFAOYSA-N
MW333.37 g/mol
LogP0.95
Rot. Bonds4

About 3-[5-(3-fluoro-4-pyridinyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]-3-hydroxy-N,N-dimethylpropanamide

3-[5-(3-fluoro-4-pyridinyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]-3-hydroxy-N,N-dimethylpropanamide (PubChem CID 91841528) has the molecular formula C16H20FN5O2 and a molecular weight of 333.37 g/mol. Its IUPAC name is 3-[5-(3-fluoro-4-pyridinyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]-3-hydroxy-N,N-dimethylpropanamide.

Molecular Properties

Compound Name3-[5-(3-fluoro-4-pyridinyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]-3-hydroxy-N,N-dimethylpropanamide
PubChem CID91841528
Molecular FormulaC16H20FN5O2
Molecular Weight333.37 g/mol
Exact Mass333.16
IUPAC Name3-[5-(3-fluoro-4-pyridinyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]-3-hydroxy-N,N-dimethylpropanamide
SMILESCN(C)C(=O)CC(O)c1cc2n(n1)CCN(c1ccncc1F)C2
InChIInChI=1S/C16H20FN5O2/c1-20(2)16(24)8-15(23)13-7-11-10-21(5-6-22(11)19-13)14-3-4-18-9-12(14)17/h3-4,7,9,15,23H,5-6,8,10H2,1-2H3
InChIKeyQYDMLKQNSQBLEG-UHFFFAOYSA-N
XLogP0.95
TPSA74.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.37
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[5-(3-fluoro-4-pyridinyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]-3-hydroxy-N,N-dimethylpropanamide?
The IUPAC name of 3-[5-(3-fluoro-4-pyridinyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]-3-hydroxy-N,N-dimethylpropanamide (CID 91841528) is 3-[5-(3-fluoro-4-pyridinyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]-3-hydroxy-N,N-dimethylpropanamide.
What is the SMILES notation for 3-[5-(3-fluoro-4-pyridinyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]-3-hydroxy-N,N-dimethylpropanamide?
The canonical SMILES for 3-[5-(3-fluoro-4-pyridinyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]-3-hydroxy-N,N-dimethylpropanamide is CN(C)C(=O)CC(O)c1cc2n(n1)CCN(c1ccncc1F)C2.
What is the InChIKey of 3-[5-(3-fluoro-4-pyridinyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]-3-hydroxy-N,N-dimethylpropanamide?
The InChIKey is QYDMLKQNSQBLEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20FN5O2/c1-20(2)16(24)8-15(23)13-7-11-10-21(5-6-22(11)19-13)14-3-4-18-9-12(14)17/h3-4,7,9,15,23H,5-6,8,10H2,1-2H3.
What are the key properties of 3-[5-(3-fluoro-4-pyridinyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]-3-hydroxy-N,N-dimethylpropanamide?
3-[5-(3-fluoro-4-pyridinyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]-3-hydroxy-N,N-dimethylpropanamide has a molecular weight of 333.37 g/mol, XLogP of 0.95, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(3-fluoro-4-pyridinyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]-3-hydroxy-N,N-dimethylpropanamide is sourced from PubChem (CID 91841528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).