5-oxo-1-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)pyrrolidine-3-sulfonyl fluoride

C9H8FN5O3S — CID 168716301

IUPAC5-oxo-1-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)pyrrolidine-3-sulfonyl fluoride
SMILESO=C1CC(S(=O)(=O)F)CN1c1ncnc2[nH]ncc12
InChIInChI=1S/C9H8FN5O3S/c10-19(17,18)5-1-7(16)15(3-5)9-6-2-13-14-8(6)11-4-12-9/h2,4-5H,1,3H2,(H,11,12,13,14)
InChIKeyCHLOOMJTACRUIW-UHFFFAOYSA-N
MW285.26 g/mol
LogP-0.24
Rot. Bonds2

About 5-oxo-1-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)pyrrolidine-3-sulfonyl fluoride

5-oxo-1-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)pyrrolidine-3-sulfonyl fluoride (PubChem CID 168716301) has the molecular formula C9H8FN5O3S and a molecular weight of 285.26 g/mol. Its IUPAC name is 5-oxo-1-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)pyrrolidine-3-sulfonyl fluoride.

Molecular Properties

Compound Name5-oxo-1-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)pyrrolidine-3-sulfonyl fluoride
PubChem CID168716301
Molecular FormulaC9H8FN5O3S
Molecular Weight285.26 g/mol
Exact Mass285.03
IUPAC Name5-oxo-1-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)pyrrolidine-3-sulfonyl fluoride
SMILESO=C1CC(S(=O)(=O)F)CN1c1ncnc2[nH]ncc12
InChIInChI=1S/C9H8FN5O3S/c10-19(17,18)5-1-7(16)15(3-5)9-6-2-13-14-8(6)11-4-12-9/h2,4-5H,1,3H2,(H,11,12,13,14)
InChIKeyCHLOOMJTACRUIW-UHFFFAOYSA-N
XLogP-0.24
TPSA108.91 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.26
LogP ≤ 5-0.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-chloro-1-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)pyrrolidin-2-one
CID 168690035
1-(5-amino-6-oxo-1H-pyrimidin-4-yl)-5-oxopyrrolidine-3-sulfonyl fluoride
CID 168715839
1-(5-fluoro-3-iodo-2-pyridinyl)-5-oxopyrrolidine-3-sulfonyl fluoride
CID 168715776
1-(3-amino-5-chloro-2-pyridinyl)-5-oxopyrrolidine-3-sulfonyl fluoride
CID 168715947
1-(4-amino-5-methyl-1H-pyrazol-3-yl)-5-oxopyrrolidine-3-sulfonyl fluoride
CID 168714641
5-oxo-1-(2-oxo-1H-pyrazin-3-yl)pyrrolidine-3-sulfonyl fluoride
CID 168716295
1-(3-bromo-5-chloropyrazin-2-yl)-5-oxopyrrolidine-3-sulfonyl fluoride
CID 168715138
3-(4-fluorosulfonyl-2-oxopyrrolidin-1-yl)pyrazine-2-carboxylic acid
CID 168716292
1-(3-amino-6-chloro-2-pyridinyl)-5-oxopyrrolidine-3-sulfonyl fluoride
CID 168715376
1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-5-oxopyrrolidine-3-sulfonyl fluoride
CID 168715768
1-(4,5-diamino-3-pyridinyl)-5-oxopyrrolidine-3-sulfonyl fluoride
CID 168716158
5-oxo-1-pyrimidin-4-ylpyrrolidine-3-sulfonyl fluoride
CID 168716305

Frequently Asked Questions

What is the IUPAC name of 5-oxo-1-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)pyrrolidine-3-sulfonyl fluoride?
The IUPAC name of 5-oxo-1-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)pyrrolidine-3-sulfonyl fluoride (CID 168716301) is 5-oxo-1-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)pyrrolidine-3-sulfonyl fluoride.
What is the SMILES notation for 5-oxo-1-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)pyrrolidine-3-sulfonyl fluoride?
The canonical SMILES for 5-oxo-1-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)pyrrolidine-3-sulfonyl fluoride is O=C1CC(S(=O)(=O)F)CN1c1ncnc2[nH]ncc12.
What is the InChIKey of 5-oxo-1-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)pyrrolidine-3-sulfonyl fluoride?
The InChIKey is CHLOOMJTACRUIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8FN5O3S/c10-19(17,18)5-1-7(16)15(3-5)9-6-2-13-14-8(6)11-4-12-9/h2,4-5H,1,3H2,(H,11,12,13,14).
What are the key properties of 5-oxo-1-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)pyrrolidine-3-sulfonyl fluoride?
5-oxo-1-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)pyrrolidine-3-sulfonyl fluoride has a molecular weight of 285.26 g/mol, XLogP of -0.24, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-oxo-1-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)pyrrolidine-3-sulfonyl fluoride is sourced from PubChem (CID 168716301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).