(2R)-1-(2-fluorophenyl)sulfonyl-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]pyrrolidine-2-carboxamide

C19H20FN5O3S — CID 30539777

IUPAC(2R)-1-(2-fluorophenyl)sulfonyl-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]pyrrolidine-2-carboxamide
SMILESO=C(NCCc1nnc2ccccn12)[C@H]1CCCN1S(=O)(=O)c1ccccc1F
InChIInChI=1S/C19H20FN5O3S/c20-14-6-1-2-8-16(14)29(27,28)25-13-5-7-15(25)19(26)21-11-10-18-23-22-17-9-3-4-12-24(17)18/h1-4,6,8-9,12,15H,5,7,10-11,13H2,(H,21,26)/t15-/m1/s1
InChIKeyUKXXBPCJQZBSRT-OAHLLOKOSA-N
MW417.47 g/mol
LogP1.38
Rot. Bonds6

About (2R)-1-(2-fluorophenyl)sulfonyl-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]pyrrolidine-2-carboxamide

(2R)-1-(2-fluorophenyl)sulfonyl-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]pyrrolidine-2-carboxamide (PubChem CID 30539777) has the molecular formula C19H20FN5O3S and a molecular weight of 417.47 g/mol. Its IUPAC name is (2R)-1-(2-fluorophenyl)sulfonyl-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2R)-1-(2-fluorophenyl)sulfonyl-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]pyrrolidine-2-carboxamide
PubChem CID30539777
Molecular FormulaC19H20FN5O3S
Molecular Weight417.47 g/mol
Exact Mass417.13
IUPAC Name(2R)-1-(2-fluorophenyl)sulfonyl-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]pyrrolidine-2-carboxamide
SMILESO=C(NCCc1nnc2ccccn12)[C@H]1CCCN1S(=O)(=O)c1ccccc1F
InChIInChI=1S/C19H20FN5O3S/c20-14-6-1-2-8-16(14)29(27,28)25-13-5-7-15(25)19(26)21-11-10-18-23-22-17-9-3-4-12-24(17)18/h1-4,6,8-9,12,15H,5,7,10-11,13H2,(H,21,26)/t15-/m1/s1
InChIKeyUKXXBPCJQZBSRT-OAHLLOKOSA-N
XLogP1.38
TPSA96.67 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.47
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-(4-fluorophenyl)ethyl]-1-(2-fluorophenyl)sulfonylpyrrolidine-2-carboxamide
CID 24639477
1-(2-fluorophenyl)sulfonyl-N-prop-2-ynylpyrrolidine-2-carboxamide
CID 24641779
1-(benzenesulfonyl)-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]piperidine-4-carboxamide
CID 134014213
(2R)-1-(4-bromophenyl)sulfonyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)piperidine-2-carboxamide
CID 30261060
2-amino-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]cyclopentane-1-carboxamide
CID 64824029
1-(2-fluorophenyl)sulfonyl-N-[(2,4,5-trimethoxyphenyl)methyl]pyrrolidine-2-carboxamide
CID 24642299
(2R)-2-[(2-fluorophenyl)sulfonylamino]-3-phenyl-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]propanamide
CID 30539813
1-(2-fluorophenyl)sulfonyl-N-(2-hydroxyphenyl)pyrrolidine-2-carboxamide
CID 24644538
4-methyl-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]pyrrolidine-3-carboxamide
CID 63714986
N-[2-oxo-2-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethylamino]ethyl]cyclopropanecarboxamide
CID 91947438
1-(cyclobutylmethyl)-3-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]urea
CID 47221589
2-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethylcarbamoyl]benzoic acid
CID 91947510

Frequently Asked Questions

What is the IUPAC name of (2R)-1-(2-fluorophenyl)sulfonyl-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]pyrrolidine-2-carboxamide?
The IUPAC name of (2R)-1-(2-fluorophenyl)sulfonyl-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]pyrrolidine-2-carboxamide (CID 30539777) is (2R)-1-(2-fluorophenyl)sulfonyl-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for (2R)-1-(2-fluorophenyl)sulfonyl-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]pyrrolidine-2-carboxamide?
The canonical SMILES for (2R)-1-(2-fluorophenyl)sulfonyl-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]pyrrolidine-2-carboxamide is O=C(NCCc1nnc2ccccn12)[C@H]1CCCN1S(=O)(=O)c1ccccc1F.
What is the InChIKey of (2R)-1-(2-fluorophenyl)sulfonyl-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]pyrrolidine-2-carboxamide?
The InChIKey is UKXXBPCJQZBSRT-OAHLLOKOSA-N. The full InChI is InChI=1S/C19H20FN5O3S/c20-14-6-1-2-8-16(14)29(27,28)25-13-5-7-15(25)19(26)21-11-10-18-23-22-17-9-3-4-12-24(17)18/h1-4,6,8-9,12,15H,5,7,10-11,13H2,(H,21,26)/t15-/m1/s1.
What are the key properties of (2R)-1-(2-fluorophenyl)sulfonyl-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]pyrrolidine-2-carboxamide?
(2R)-1-(2-fluorophenyl)sulfonyl-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]pyrrolidine-2-carboxamide has a molecular weight of 417.47 g/mol, XLogP of 1.38, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(2-fluorophenyl)sulfonyl-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 30539777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).