1-[7-[(2S)-1-(4-fluorophenyl)sulfonylpyrrolidin-2-yl]-2-methylpyrazolo[1,5-a]pyrimidin-6-yl]-N,N-dimethylmethanamine

C20H24FN5O2S — CID 92631093

IUPAC1-[7-[(2S)-1-(4-fluorophenyl)sulfonylpyrrolidin-2-yl]-2-methylpyrazolo[1,5-a]pyrimidin-6-yl]-N,N-dimethylmethanamine
SMILESCc1cc2ncc(CN(C)C)c([C@@H]3CCCN3S(=O)(=O)c3ccc(F)cc3)n2n1
InChIInChI=1S/C20H24FN5O2S/c1-14-11-19-22-12-15(13-24(2)3)20(26(19)23-14)18-5-4-10-25(18)29(27,28)17-8-6-16(21)7-9-17/h6-9,11-12,18H,4-5,10,13H2,1-3H3/t18-/m0/s1
InChIKeyRRHCPCPZYDSBQY-SFHVURJKSA-N
MW417.51 g/mol
LogP2.76
Rot. Bonds5

About 1-[7-[(2S)-1-(4-fluorophenyl)sulfonylpyrrolidin-2-yl]-2-methylpyrazolo[1,5-a]pyrimidin-6-yl]-N,N-dimethylmethanamine

1-[7-[(2S)-1-(4-fluorophenyl)sulfonylpyrrolidin-2-yl]-2-methylpyrazolo[1,5-a]pyrimidin-6-yl]-N,N-dimethylmethanamine (PubChem CID 92631093) has the molecular formula C20H24FN5O2S and a molecular weight of 417.51 g/mol. Its IUPAC name is 1-[7-[(2S)-1-(4-fluorophenyl)sulfonylpyrrolidin-2-yl]-2-methylpyrazolo[1,5-a]pyrimidin-6-yl]-N,N-dimethylmethanamine.

Molecular Properties

Compound Name1-[7-[(2S)-1-(4-fluorophenyl)sulfonylpyrrolidin-2-yl]-2-methylpyrazolo[1,5-a]pyrimidin-6-yl]-N,N-dimethylmethanamine
PubChem CID92631093
Molecular FormulaC20H24FN5O2S
Molecular Weight417.51 g/mol
Exact Mass417.16
IUPAC Name1-[7-[(2S)-1-(4-fluorophenyl)sulfonylpyrrolidin-2-yl]-2-methylpyrazolo[1,5-a]pyrimidin-6-yl]-N,N-dimethylmethanamine
SMILESCc1cc2ncc(CN(C)C)c([C@@H]3CCCN3S(=O)(=O)c3ccc(F)cc3)n2n1
InChIInChI=1S/C20H24FN5O2S/c1-14-11-19-22-12-15(13-24(2)3)20(26(19)23-14)18-5-4-10-25(18)29(27,28)17-8-6-16(21)7-9-17/h6-9,11-12,18H,4-5,10,13H2,1-3H3/t18-/m0/s1
InChIKeyRRHCPCPZYDSBQY-SFHVURJKSA-N
XLogP2.76
TPSA70.81 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.51
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(2S)-1-(4-fluorophenyl)sulfonyl-2-(2-methylphenyl)pyrrolidine
CID 51855972
(2S)-1-(4-fluorophenyl)sulfonyl-2-(4-methylphenyl)pyrrolidine
CID 25498073
2-[(2S)-1-(4-fluorophenyl)sulfonylpiperidin-2-yl]-5-methyl-1,3-thiazole
CID 57193110
N,N-dimethyl-1-[2-methyl-7-[(2S)-morpholin-2-yl]pyrazolo[1,5-a]pyrimidin-6-yl]methanamine
CID 95814821
6-[(2S)-1-(4-fluorophenyl)sulfonylpyrrolidin-2-yl]-N,2-dimethylpyrimidin-4-amine
CID 125000616
1-[3-[(2R)-1-(4-fluoro-2-methylphenyl)sulfonylpyrrolidin-2-yl]-1-methylpyrazol-5-yl]-N,N-dimethylmethanamine
CID 92623748
(2R)-1-(4-tert-butylphenyl)sulfonyl-2-(4-fluorophenyl)pyrrolidine
CID 51856123
1-(4-fluorophenyl)sulfonyl-2-methylpyrrolidine
CID 60974394
2-[(2S)-1-(3-fluorophenyl)sulfonylpyrrolidin-2-yl]-5-methyl-1H-imidazole
CID 124976182
(2S)-1-(4-fluorophenyl)sulfonyl-2-(4-methylphenyl)azepane
CID 95078895
N-[[6-(dimethylamino)-2-[(2R)-1-(4-fluorophenyl)sulfonylpiperidin-2-yl]pyrimidin-4-yl]methyl]-N-methylacetamide
CID 92624254
N-[[6-(dimethylamino)-2-[(2S)-1-(4-fluorophenyl)sulfonylpiperidin-2-yl]pyrimidin-4-yl]methyl]-N-methylacetamide
CID 92624253

Frequently Asked Questions

What is the IUPAC name of 1-[7-[(2S)-1-(4-fluorophenyl)sulfonylpyrrolidin-2-yl]-2-methylpyrazolo[1,5-a]pyrimidin-6-yl]-N,N-dimethylmethanamine?
The IUPAC name of 1-[7-[(2S)-1-(4-fluorophenyl)sulfonylpyrrolidin-2-yl]-2-methylpyrazolo[1,5-a]pyrimidin-6-yl]-N,N-dimethylmethanamine (CID 92631093) is 1-[7-[(2S)-1-(4-fluorophenyl)sulfonylpyrrolidin-2-yl]-2-methylpyrazolo[1,5-a]pyrimidin-6-yl]-N,N-dimethylmethanamine.
What is the SMILES notation for 1-[7-[(2S)-1-(4-fluorophenyl)sulfonylpyrrolidin-2-yl]-2-methylpyrazolo[1,5-a]pyrimidin-6-yl]-N,N-dimethylmethanamine?
The canonical SMILES for 1-[7-[(2S)-1-(4-fluorophenyl)sulfonylpyrrolidin-2-yl]-2-methylpyrazolo[1,5-a]pyrimidin-6-yl]-N,N-dimethylmethanamine is Cc1cc2ncc(CN(C)C)c([C@@H]3CCCN3S(=O)(=O)c3ccc(F)cc3)n2n1.
What is the InChIKey of 1-[7-[(2S)-1-(4-fluorophenyl)sulfonylpyrrolidin-2-yl]-2-methylpyrazolo[1,5-a]pyrimidin-6-yl]-N,N-dimethylmethanamine?
The InChIKey is RRHCPCPZYDSBQY-SFHVURJKSA-N. The full InChI is InChI=1S/C20H24FN5O2S/c1-14-11-19-22-12-15(13-24(2)3)20(26(19)23-14)18-5-4-10-25(18)29(27,28)17-8-6-16(21)7-9-17/h6-9,11-12,18H,4-5,10,13H2,1-3H3/t18-/m0/s1.
What are the key properties of 1-[7-[(2S)-1-(4-fluorophenyl)sulfonylpyrrolidin-2-yl]-2-methylpyrazolo[1,5-a]pyrimidin-6-yl]-N,N-dimethylmethanamine?
1-[7-[(2S)-1-(4-fluorophenyl)sulfonylpyrrolidin-2-yl]-2-methylpyrazolo[1,5-a]pyrimidin-6-yl]-N,N-dimethylmethanamine has a molecular weight of 417.51 g/mol, XLogP of 2.76, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[7-[(2S)-1-(4-fluorophenyl)sulfonylpyrrolidin-2-yl]-2-methylpyrazolo[1,5-a]pyrimidin-6-yl]-N,N-dimethylmethanamine is sourced from PubChem (CID 92631093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).