1-[1-[1-(2-fluorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]pyrrolidin-2-yl]-N-methylmethanesulfonamide

C17H19FN6O2S — CID 166257268

IUPAC1-[1-[1-(2-fluorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]pyrrolidin-2-yl]-N-methylmethanesulfonamide
SMILESCNS(=O)(=O)CC1CCCN1c1ncnc2c1cnn2-c1ccccc1F
InChIInChI=1S/C17H19FN6O2S/c1-19-27(25,26)10-12-5-4-8-23(12)16-13-9-22-24(17(13)21-11-20-16)15-7-3-2-6-14(15)18/h2-3,6-7,9,11-12,19H,4-5,8,10H2,1H3
InChIKeyKZYNFXZPOMXHBJ-UHFFFAOYSA-N
MW390.44 g/mol
LogP1.47
Rot. Bonds5

About 1-[1-[1-(2-fluorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]pyrrolidin-2-yl]-N-methylmethanesulfonamide

1-[1-[1-(2-fluorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]pyrrolidin-2-yl]-N-methylmethanesulfonamide (PubChem CID 166257268) has the molecular formula C17H19FN6O2S and a molecular weight of 390.44 g/mol. Its IUPAC name is 1-[1-[1-(2-fluorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]pyrrolidin-2-yl]-N-methylmethanesulfonamide.

Molecular Properties

Compound Name1-[1-[1-(2-fluorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]pyrrolidin-2-yl]-N-methylmethanesulfonamide
PubChem CID166257268
Molecular FormulaC17H19FN6O2S
Molecular Weight390.44 g/mol
Exact Mass390.13
IUPAC Name1-[1-[1-(2-fluorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]pyrrolidin-2-yl]-N-methylmethanesulfonamide
SMILESCNS(=O)(=O)CC1CCCN1c1ncnc2c1cnn2-c1ccccc1F
InChIInChI=1S/C17H19FN6O2S/c1-19-27(25,26)10-12-5-4-8-23(12)16-13-9-22-24(17(13)21-11-20-16)15-7-3-2-6-14(15)18/h2-3,6-7,9,11-12,19H,4-5,8,10H2,1H3
InChIKeyKZYNFXZPOMXHBJ-UHFFFAOYSA-N
XLogP1.47
TPSA93.01 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.44
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1-(2-fluorophenyl)-4-pyrrolidin-1-ylpyrazolo[5,4-d]pyrimidine
CID 110433726
N-methyl-1-[1-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)pyrrolidin-2-yl]methanamine
CID 62586356
[(2R)-1-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)pyrrolidin-2-yl]methanol
CID 41112085
[1-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)pyrrolidin-2-yl]methanol
CID 22590117
4-[(2S)-2-[(4-fluorophenyl)methyl]pyrrolidin-1-yl]-1-methylpyrazolo[5,4-d]pyrimidine
CID 94582480
N-methyl-1-[1-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperidin-2-yl]methanamine
CID 55138849
2-[1-(2-fluorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]-1,3,3a,4,7,7a-hexahydro-4,7-epoxyisoindole
CID 138023073
1-[1-(4-cyano-2-fluorophenyl)pyrrolidin-2-yl]-N-methylmethanesulfonamide
CID 71976834
(2R)-1-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)pyrrolidine-2-carboxylic acid
CID 122051882
N-[2-[[1-(2-fluorophenyl)pyrazolo[3,4-d]pyrimidin-4-yl]amino]ethyl]acetamide
CID 110432089
1-[1-(2-fluorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]-N-methyl-N-[(5-propan-2-yl-1,3-oxazol-2-yl)methyl]pyrrolidin-3-amine
CID 167758822
1-phenyl-4-[(2S)-2-pyridin-2-ylpyrrolidin-1-yl]pyrazolo[5,4-d]pyrimidine
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Frequently Asked Questions

What is the IUPAC name of 1-[1-[1-(2-fluorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]pyrrolidin-2-yl]-N-methylmethanesulfonamide?
The IUPAC name of 1-[1-[1-(2-fluorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]pyrrolidin-2-yl]-N-methylmethanesulfonamide (CID 166257268) is 1-[1-[1-(2-fluorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]pyrrolidin-2-yl]-N-methylmethanesulfonamide.
What is the SMILES notation for 1-[1-[1-(2-fluorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]pyrrolidin-2-yl]-N-methylmethanesulfonamide?
The canonical SMILES for 1-[1-[1-(2-fluorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]pyrrolidin-2-yl]-N-methylmethanesulfonamide is CNS(=O)(=O)CC1CCCN1c1ncnc2c1cnn2-c1ccccc1F.
What is the InChIKey of 1-[1-[1-(2-fluorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]pyrrolidin-2-yl]-N-methylmethanesulfonamide?
The InChIKey is KZYNFXZPOMXHBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN6O2S/c1-19-27(25,26)10-12-5-4-8-23(12)16-13-9-22-24(17(13)21-11-20-16)15-7-3-2-6-14(15)18/h2-3,6-7,9,11-12,19H,4-5,8,10H2,1H3.
What are the key properties of 1-[1-[1-(2-fluorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]pyrrolidin-2-yl]-N-methylmethanesulfonamide?
1-[1-[1-(2-fluorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]pyrrolidin-2-yl]-N-methylmethanesulfonamide has a molecular weight of 390.44 g/mol, XLogP of 1.47, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[1-(2-fluorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]pyrrolidin-2-yl]-N-methylmethanesulfonamide is sourced from PubChem (CID 166257268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).