tert-butyl 3-[[3-[4-(5-aminopyrazin-2-yl)-3-fluorophenyl]-2-pyridinyl]sulfonyl]pyrrolidine-1-carboxylate

C24H26FN5O4S — CID 90314275

IUPACtert-butyl 3-[[3-[4-(5-aminopyrazin-2-yl)-3-fluorophenyl]-2-pyridinyl]sulfonyl]pyrrolidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(S(=O)(=O)c2ncccc2-c2ccc(-c3cnc(N)cn3)c(F)c2)C1
InChIInChI=1S/C24H26FN5O4S/c1-24(2,3)34-23(31)30-10-8-16(14-30)35(32,33)22-17(5-4-9-27-22)15-6-7-18(19(25)11-15)20-12-29-21(26)13-28-20/h4-7,9,11-13,16H,8,10,14H2,1-3H3,(H2,26,29)
InChIKeyGAOJYOZJMHEZCZ-UHFFFAOYSA-N
MW499.57 g/mol
LogP3.71
Rot. Bonds4

About tert-butyl 3-[[3-[4-(5-aminopyrazin-2-yl)-3-fluorophenyl]-2-pyridinyl]sulfonyl]pyrrolidine-1-carboxylate

tert-butyl 3-[[3-[4-(5-aminopyrazin-2-yl)-3-fluorophenyl]-2-pyridinyl]sulfonyl]pyrrolidine-1-carboxylate (PubChem CID 90314275) has the molecular formula C24H26FN5O4S and a molecular weight of 499.57 g/mol. Its IUPAC name is tert-butyl 3-[[3-[4-(5-aminopyrazin-2-yl)-3-fluorophenyl]-2-pyridinyl]sulfonyl]pyrrolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-[[3-[4-(5-aminopyrazin-2-yl)-3-fluorophenyl]-2-pyridinyl]sulfonyl]pyrrolidine-1-carboxylate
PubChem CID90314275
Molecular FormulaC24H26FN5O4S
Molecular Weight499.57 g/mol
Exact Mass499.17
IUPAC Nametert-butyl 3-[[3-[4-(5-aminopyrazin-2-yl)-3-fluorophenyl]-2-pyridinyl]sulfonyl]pyrrolidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(S(=O)(=O)c2ncccc2-c2ccc(-c3cnc(N)cn3)c(F)c2)C1
InChIInChI=1S/C24H26FN5O4S/c1-24(2,3)34-23(31)30-10-8-16(14-30)35(32,33)22-17(5-4-9-27-22)15-6-7-18(19(25)11-15)20-12-29-21(26)13-28-20/h4-7,9,11-13,16H,8,10,14H2,1-3H3,(H2,26,29)
InChIKeyGAOJYOZJMHEZCZ-UHFFFAOYSA-N
XLogP3.71
TPSA128.37 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500499.57
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze tert-butyl 3-[[3-[4-(5-aminopyrazin-2-yl)-3-fluorophenyl]-2-pyridinyl]sulfonyl]pyrrolidine-1-carboxylate with MolForge

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Related Compounds

3-[[3-[4-(5-aminopyrazin-2-yl)-3-fluorophenyl]-2-pyridinyl]oxymethyl]pyrrolidine-1-carboxylic acid
CID 90314370
tert-butyl (3R)-3-(3-methylpyrazin-2-yl)sulfonylpyrrolidine-1-carboxylate
CID 71634218
tert-butyl N-[2-[[2-[4-(5-aminopyrazin-2-yl)-3-fluorophenyl]phenyl]sulfonylamino]ethyl]carbamate
CID 90326401
1-[2-[4-(5-aminopyrazin-2-yl)-3-fluorophenyl]phenyl]sulfonylpyrrolidine-3,4-diol
CID 90314151
5-[2-fluoro-4-[2-(4-pyrimidin-2-ylpiperazin-1-yl)sulfonylphenyl]phenyl]pyrazin-2-amine
CID 90314130
tert-butyl 3-(4-fluorophenyl)sulfonylpyrrolidine-1-carboxylate
CID 72660054
2-[4-(5-aminopyrazin-2-yl)-3-fluorophenyl]-N-(cyclobutylmethyl)benzenesulfonamide
CID 90312981
tert-butyl 4-[4-(5-aminopyrazin-2-yl)-3-methylpyrazol-1-yl]piperidine-1-carboxylate
CID 139409469
tert-butyl 3-(4,6-dimethylpyrimidin-2-yl)sulfonylpyrrolidine-1-carboxylate
CID 71634303
(3S)-1-[2-[4-(5-aminopyrazin-2-yl)-3-fluorophenyl]phenyl]sulfonyl-4-pyrrolidin-1-ylpyrrolidin-3-ol
CID 137395964
5-[2-fluoro-4-[2-methoxy-4-(trifluoromethyl)phenyl]phenyl]pyrazin-2-amine
CID 90313982
tert-butyl (3R)-3-(5-fluoropyrimidin-2-yl)sulfonylpiperidine-1-carboxylate
CID 97171851

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-[[3-[4-(5-aminopyrazin-2-yl)-3-fluorophenyl]-2-pyridinyl]sulfonyl]pyrrolidine-1-carboxylate?
The IUPAC name of tert-butyl 3-[[3-[4-(5-aminopyrazin-2-yl)-3-fluorophenyl]-2-pyridinyl]sulfonyl]pyrrolidine-1-carboxylate (CID 90314275) is tert-butyl 3-[[3-[4-(5-aminopyrazin-2-yl)-3-fluorophenyl]-2-pyridinyl]sulfonyl]pyrrolidine-1-carboxylate.
What is the SMILES notation for tert-butyl 3-[[3-[4-(5-aminopyrazin-2-yl)-3-fluorophenyl]-2-pyridinyl]sulfonyl]pyrrolidine-1-carboxylate?
The canonical SMILES for tert-butyl 3-[[3-[4-(5-aminopyrazin-2-yl)-3-fluorophenyl]-2-pyridinyl]sulfonyl]pyrrolidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC(S(=O)(=O)c2ncccc2-c2ccc(-c3cnc(N)cn3)c(F)c2)C1.
What is the InChIKey of tert-butyl 3-[[3-[4-(5-aminopyrazin-2-yl)-3-fluorophenyl]-2-pyridinyl]sulfonyl]pyrrolidine-1-carboxylate?
The InChIKey is GAOJYOZJMHEZCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26FN5O4S/c1-24(2,3)34-23(31)30-10-8-16(14-30)35(32,33)22-17(5-4-9-27-22)15-6-7-18(19(25)11-15)20-12-29-21(26)13-28-20/h4-7,9,11-13,16H,8,10,14H2,1-3H3,(H2,26,29).
What are the key properties of tert-butyl 3-[[3-[4-(5-aminopyrazin-2-yl)-3-fluorophenyl]-2-pyridinyl]sulfonyl]pyrrolidine-1-carboxylate?
tert-butyl 3-[[3-[4-(5-aminopyrazin-2-yl)-3-fluorophenyl]-2-pyridinyl]sulfonyl]pyrrolidine-1-carboxylate has a molecular weight of 499.57 g/mol, XLogP of 3.71, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-[[3-[4-(5-aminopyrazin-2-yl)-3-fluorophenyl]-2-pyridinyl]sulfonyl]pyrrolidine-1-carboxylate is sourced from PubChem (CID 90314275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).