tert-butyl N-[(3S)-1-([1,2,4]triazolo[1,5-a]pyrazin-8-yl)pyrrolidin-3-yl]carbamate;8-chloro-[1,2,4]triazolo[1,5-a]pyrazine;1-(4-fluorophenyl)pyrazole-3-carboxylic acid;1-(4-fluorophenyl)-N-[(3S)-1-([1,2,4]triazolo[1,5-a]pyrazin-8-yl)pyrrolidin-3-yl]pyrazole-3-carboxamide;methane;(3S)-3-methylpyrrolidine;(3S)-1-([1,2,4]triazolo[1,5-a]pyrazin-8-yl)pyrrolidin-3-amine

C65H82ClF2N27O5 — CID 159069548

IUPACtert-butyl N-[(3S)-1-([1,2,4]triazolo[1,5-a]pyrazin-8-yl)pyrrolidin-3-yl]carbamate;8-chloro-[1,2,4]triazolo[1,5-a]pyrazine;1-(4-fluorophenyl)pyrazole-3-carboxylic acid;1-(4-fluorophenyl)-N-[(3S)-1-([1,2,4]triazolo[1,5-a]pyrazin-8-yl)pyrrolidin-3-yl]pyrazole-3-carboxamide;methane;(3S)-3-methylpyrrolidine;(3S)-1-([1,2,4]triazolo[1,5-a]pyrazin-8-yl)pyrrolidin-3-amine
SMILESC.C.C.CC(C)(C)OC(=O)N[C@H]1CCN(c2nccn3ncnc23)C1.C[C@H]1CCNC1.Clc1nccn2ncnc12.N[C@H]1CCN(c2nccn3ncnc23)C1.O=C(N[C@H]1CCN(c2nccn3ncnc23)C1)c1ccn(-c2ccc(F)cc2)n1.O=C(O)c1ccn(-c2ccc(F)cc2)n1
InChIInChI=1S/C19H17FN8O.C14H20N6O2.C10H7FN2O2.C9H12N6.C5H3ClN4.C5H11N.3CH4/c20-13-1-3-15(4-2-13)27-9-6-16(25-27)19(29)24-14-5-8-26(11-14)17-18-22-12-23-28(18)10-7-21-17;1-14(2,3)22-13(21)18-10-4-6-19(8-10)11-12-16-9-17-20(12)7-5-15-11;11-7-1-3-8(4-2-7)13-6-5-9(12-13)10(14)15;10-7-1-3-14(5-7)8-9-12-6-13-15(9)4-2-11-8;6-4-5-8-3-9-10(5)2-1-7-4;1-5-2-3-6-4-5;;;/h1-4,6-7,9-10,12,14H,5,8,11H2,(H,24,29);5,7,9-10H,4,6,8H2,1-3H3,(H,18,21);1-6H,(H,14,15);2,4,6-7H,1,3,5,10H2;1-3H;5-6H,2-4H2,1H3;3*1H4/t14-;10-;;7-;;5-;;;/m00.0.0.../s1
InChIKeyJZLWNESKDCKPRH-SZWZBGPVSA-N
MW1395.00 g/mol
LogP7.36
Rot. Bonds9

About tert-butyl N-[(3S)-1-([1,2,4]triazolo[1,5-a]pyrazin-8-yl)pyrrolidin-3-yl]carbamate;8-chloro-[1,2,4]triazolo[1,5-a]pyrazine;1-(4-fluorophenyl)pyrazole-3-carboxylic acid;1-(4-fluorophenyl)-N-[(3S)-1-([1,2,4]triazolo[1,5-a]pyrazin-8-yl)pyrrolidin-3-yl]pyrazole-3-carboxamide;methane;(3S)-3-methylpyrrolidine;(3S)-1-([1,2,4]triazolo[1,5-a]pyrazin-8-yl)pyrrolidin-3-amine

tert-butyl N-[(3S)-1-([1,2,4]triazolo[1,5-a]pyrazin-8-yl)pyrrolidin-3-yl]carbamate;8-chloro-[1,2,4]triazolo[1,5-a]pyrazine;1-(4-fluorophenyl)pyrazole-3-carboxylic acid;1-(4-fluorophenyl)-N-[(3S)-1-([1,2,4]triazolo[1,5-a]pyrazin-8-yl)pyrrolidin-3-yl]pyrazole-3-carboxamide;methane;(3S)-3-methylpyrrolidine;(3S)-1-([1,2,4]triazolo[1,5-a]pyrazin-8-yl)pyrrolidin-3-amine (PubChem CID 159069548) has the molecular formula C65H82ClF2N27O5 and a molecular weight of 1395.00 g/mol. Its IUPAC name is tert-butyl N-[(3S)-1-([1,2,4]triazolo[1,5-a]pyrazin-8-yl)pyrrolidin-3-yl]carbamate;8-chloro-[1,2,4]triazolo[1,5-a]pyrazine;1-(4-fluorophenyl)pyrazole-3-carboxylic acid;1-(4-fluorophenyl)-N-[(3S)-1-([1,2,4]triazolo[1,5-a]pyrazin-8-yl)pyrrolidin-3-yl]pyrazole-3-carboxamide;methane;(3S)-3-methylpyrrolidine;(3S)-1-([1,2,4]triazolo[1,5-a]pyrazin-8-yl)pyrrolidin-3-amine.

Molecular Properties

Compound Nametert-butyl N-[(3S)-1-([1,2,4]triazolo[1,5-a]pyrazin-8-yl)pyrrolidin-3-yl]carbamate;8-chloro-[1,2,4]triazolo[1,5-a]pyrazine;1-(4-fluorophenyl)pyrazole-3-carboxylic acid;1-(4-fluorophenyl)-N-[(3S)-1-([1,2,4]triazolo[1,5-a]pyrazin-8-yl)pyrrolidin-3-yl]pyrazole-3-carboxamide;methane;(3S)-3-methylpyrrolidine;(3S)-1-([1,2,4]triazolo[1,5-a]pyrazin-8-yl)pyrrolidin-3-amine
PubChem CID159069548
Molecular FormulaC65H82ClF2N27O5
Molecular Weight1395.00 g/mol
Exact Mass1393.66
IUPAC Nametert-butyl N-[(3S)-1-([1,2,4]triazolo[1,5-a]pyrazin-8-yl)pyrrolidin-3-yl]carbamate;8-chloro-[1,2,4]triazolo[1,5-a]pyrazine;1-(4-fluorophenyl)pyrazole-3-carboxylic acid;1-(4-fluorophenyl)-N-[(3S)-1-([1,2,4]triazolo[1,5-a]pyrazin-8-yl)pyrrolidin-3-yl]pyrazole-3-carboxamide;methane;(3S)-3-methylpyrrolidine;(3S)-1-([1,2,4]triazolo[1,5-a]pyrazin-8-yl)pyrrolidin-3-amine
SMILESC.C.C.CC(C)(C)OC(=O)N[C@H]1CCN(c2nccn3ncnc23)C1.C[C@H]1CCNC1.Clc1nccn2ncnc12.N[C@H]1CCN(c2nccn3ncnc23)C1.O=C(N[C@H]1CCN(c2nccn3ncnc23)C1)c1ccn(-c2ccc(F)cc2)n1.O=C(O)c1ccn(-c2ccc(F)cc2)n1
InChIInChI=1S/C19H17FN8O.C14H20N6O2.C10H7FN2O2.C9H12N6.C5H3ClN4.C5H11N.3CH4/c20-13-1-3-15(4-2-13)27-9-6-16(25-27)19(29)24-14-5-8-26(11-14)17-18-22-12-23-28(18)10-7-21-17;1-14(2,3)22-13(21)18-10-4-6-19(8-10)11-12-16-9-17-20(12)7-5-15-11;11-7-1-3-8(4-2-7)13-6-5-9(12-13)10(14)15;10-7-1-3-14(5-7)8-9-12-6-13-15(9)4-2-11-8;6-4-5-8-3-9-10(5)2-1-7-4;1-5-2-3-6-4-5;;;/h1-4,6-7,9-10,12,14H,5,8,11H2,(H,24,29);5,7,9-10H,4,6,8H2,1-3H3,(H,18,21);1-6H,(H,14,15);2,4,6-7H,1,3,5,10H2;1-3H;5-6H,2-4H2,1H3;3*1H4/t14-;10-;;7-;;5-;;;/m00.0.0.../s1
InChIKeyJZLWNESKDCKPRH-SZWZBGPVSA-N
XLogP7.36
TPSA360.46 Ų
H-Bond Donors5
H-Bond Acceptors29
Rotatable Bonds9
Heavy Atoms100
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001395.00
LogP ≤ 57.36
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1029

Analyze tert-butyl N-[(3S)-1-([1,2,4]triazolo[1,5-a]pyrazin-8-yl)pyrrolidin-3-yl]carbamate;8-chloro-[1,2,4]triazolo[1,5-a]pyrazine;1-(4-fluorophenyl)pyrazole-3-carboxylic acid;1-(4-fluorophenyl)-N-[(3S)-1-([1,2,4]triazolo[1,5-a]pyrazin-8-yl)pyrrolidin-3-yl]pyrazole-3-carboxamide;methane;(3S)-3-methylpyrrolidine;(3S)-1-([1,2,4]triazolo[1,5-a]pyrazin-8-yl)pyrrolidin-3-amine with MolForge

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Related Compounds

tert-butyl N-[(3S)-pyrrolidin-3-yl]carbamate;tert-butyl N-[(3S)-1-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)pyrrolidin-3-yl]carbamate;8-chloro-[1,2,4]triazolo[4,3-a]pyrazine;1-phenyl-1,2,4-triazole-3-carboxylic acid;1-phenyl-N-[1-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)pyrrolidin-3-yl]-1,2,4-triazole-3-carboxamide;(3S)-1-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)pyrrolidin-3-amine
CID 164984997
1-(4-chlorophenyl)-N-[(3S)-1-(8-methylpyrrolo[1,2-a]pyrazin-1-yl)pyrrolidin-3-yl]pyrazole-3-carboxamide;1-(4-chlorophenyl)pyrazole-3-carboxylic acid;(3S)-1-(8-methylpyrrolo[1,2-a]pyrazin-1-yl)pyrrolidin-3-amine
CID 160870802
1-(4-fluorophenyl)-N-[(6S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]pyrazole-3-carboxamide
CID 95137538
tert-butyl N-[(3R)-1-(3-oxo-2H-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)pyrrolidin-3-yl]carbamate
CID 95738733
tert-butyl N-[1-(2-chloro-4-pyridinyl)pyrrolidin-3-yl]carbamate
CID 121204853
tert-butyl N-[(3R)-1-(4-chlorophenyl)pyrrolidin-3-yl]carbamate
CID 178166297
4-[(3S)-3-aminopyrrolidin-1-yl]-N-methylbenzenesulfonamide;tert-butyl N-[(3S)-1-[4-(methylsulfamoyl)phenyl]pyrrolidin-3-yl]carbamate;methane
CID 161250249
tert-butyl N-[(3R)-1-(2-phenylpyrazolo[1,5-a]pyrazin-4-yl)pyrrolidin-3-yl]carbamate
CID 95394761
N-cyclooctyl-1-(4-fluorophenyl)pyrazole-3-carboxamide
CID 38701604
tert-butyl N-[1-(4-cyano-3-fluoro-2-pyridinyl)pyrrolidin-3-yl]carbamate
CID 140784290
tert-butyl N-[1-(4-formylphenyl)pyrrolidin-3-yl]carbamate
CID 91755325
1-phenyl-N-piperidin-3-ylpyrazole-3-carboxamide;hydrochloride
CID 119429116

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(3S)-1-([1,2,4]triazolo[1,5-a]pyrazin-8-yl)pyrrolidin-3-yl]carbamate;8-chloro-[1,2,4]triazolo[1,5-a]pyrazine;1-(4-fluorophenyl)pyrazole-3-carboxylic acid;1-(4-fluorophenyl)-N-[(3S)-1-([1,2,4]triazolo[1,5-a]pyrazin-8-yl)pyrrolidin-3-yl]pyrazole-3-carboxamide;methane;(3S)-3-methylpyrrolidine;(3S)-1-([1,2,4]triazolo[1,5-a]pyrazin-8-yl)pyrrolidin-3-amine?
The IUPAC name of tert-butyl N-[(3S)-1-([1,2,4]triazolo[1,5-a]pyrazin-8-yl)pyrrolidin-3-yl]carbamate;8-chloro-[1,2,4]triazolo[1,5-a]pyrazine;1-(4-fluorophenyl)pyrazole-3-carboxylic acid;1-(4-fluorophenyl)-N-[(3S)-1-([1,2,4]triazolo[1,5-a]pyrazin-8-yl)pyrrolidin-3-yl]pyrazole-3-carboxamide;methane;(3S)-3-methylpyrrolidine;(3S)-1-([1,2,4]triazolo[1,5-a]pyrazin-8-yl)pyrrolidin-3-amine (CID 159069548) is tert-butyl N-[(3S)-1-([1,2,4]triazolo[1,5-a]pyrazin-8-yl)pyrrolidin-3-yl]carbamate;8-chloro-[1,2,4]triazolo[1,5-a]pyrazine;1-(4-fluorophenyl)pyrazole-3-carboxylic acid;1-(4-fluorophenyl)-N-[(3S)-1-([1,2,4]triazolo[1,5-a]pyrazin-8-yl)pyrrolidin-3-yl]pyrazole-3-carboxamide;methane;(3S)-3-methylpyrrolidine;(3S)-1-([1,2,4]triazolo[1,5-a]pyrazin-8-yl)pyrrolidin-3-amine.
What is the SMILES notation for tert-butyl N-[(3S)-1-([1,2,4]triazolo[1,5-a]pyrazin-8-yl)pyrrolidin-3-yl]carbamate;8-chloro-[1,2,4]triazolo[1,5-a]pyrazine;1-(4-fluorophenyl)pyrazole-3-carboxylic acid;1-(4-fluorophenyl)-N-[(3S)-1-([1,2,4]triazolo[1,5-a]pyrazin-8-yl)pyrrolidin-3-yl]pyrazole-3-carboxamide;methane;(3S)-3-methylpyrrolidine;(3S)-1-([1,2,4]triazolo[1,5-a]pyrazin-8-yl)pyrrolidin-3-amine?
The canonical SMILES for tert-butyl N-[(3S)-1-([1,2,4]triazolo[1,5-a]pyrazin-8-yl)pyrrolidin-3-yl]carbamate;8-chloro-[1,2,4]triazolo[1,5-a]pyrazine;1-(4-fluorophenyl)pyrazole-3-carboxylic acid;1-(4-fluorophenyl)-N-[(3S)-1-([1,2,4]triazolo[1,5-a]pyrazin-8-yl)pyrrolidin-3-yl]pyrazole-3-carboxamide;methane;(3S)-3-methylpyrrolidine;(3S)-1-([1,2,4]triazolo[1,5-a]pyrazin-8-yl)pyrrolidin-3-amine is C.C.C.CC(C)(C)OC(=O)N[C@H]1CCN(c2nccn3ncnc23)C1.C[C@H]1CCNC1.Clc1nccn2ncnc12.N[C@H]1CCN(c2nccn3ncnc23)C1.O=C(N[C@H]1CCN(c2nccn3ncnc23)C1)c1ccn(-c2ccc(F)cc2)n1.O=C(O)c1ccn(-c2ccc(F)cc2)n1.
What is the InChIKey of tert-butyl N-[(3S)-1-([1,2,4]triazolo[1,5-a]pyrazin-8-yl)pyrrolidin-3-yl]carbamate;8-chloro-[1,2,4]triazolo[1,5-a]pyrazine;1-(4-fluorophenyl)pyrazole-3-carboxylic acid;1-(4-fluorophenyl)-N-[(3S)-1-([1,2,4]triazolo[1,5-a]pyrazin-8-yl)pyrrolidin-3-yl]pyrazole-3-carboxamide;methane;(3S)-3-methylpyrrolidine;(3S)-1-([1,2,4]triazolo[1,5-a]pyrazin-8-yl)pyrrolidin-3-amine?
The InChIKey is JZLWNESKDCKPRH-SZWZBGPVSA-N. The full InChI is InChI=1S/C19H17FN8O.C14H20N6O2.C10H7FN2O2.C9H12N6.C5H3ClN4.C5H11N.3CH4/c20-13-1-3-15(4-2-13)27-9-6-16(25-27)19(29)24-14-5-8-26(11-14)17-18-22-12-23-28(18)10-7-21-17;1-14(2,3)22-13(21)18-10-4-6-19(8-10)11-12-16-9-17-20(12)7-5-15-11;11-7-1-3-8(4-2-7)13-6-5-9(12-13)10(14)15;10-7-1-3-14(5-7)8-9-12-6-13-15(9)4-2-11-8;6-4-5-8-3-9-10(5)2-1-7-4;1-5-2-3-6-4-5;;;/h1-4,6-7,9-10,12,14H,5,8,11H2,(H,24,29);5,7,9-10H,4,6,8H2,1-3H3,(H,18,21);1-6H,(H,14,15);2,4,6-7H,1,3,5,10H2;1-3H;5-6H,2-4H2,1H3;3*1H4/t14-;10-;;7-;;5-;;;/m00.0.0.../s1.
What are the key properties of tert-butyl N-[(3S)-1-([1,2,4]triazolo[1,5-a]pyrazin-8-yl)pyrrolidin-3-yl]carbamate;8-chloro-[1,2,4]triazolo[1,5-a]pyrazine;1-(4-fluorophenyl)pyrazole-3-carboxylic acid;1-(4-fluorophenyl)-N-[(3S)-1-([1,2,4]triazolo[1,5-a]pyrazin-8-yl)pyrrolidin-3-yl]pyrazole-3-carboxamide;methane;(3S)-3-methylpyrrolidine;(3S)-1-([1,2,4]triazolo[1,5-a]pyrazin-8-yl)pyrrolidin-3-amine?
tert-butyl N-[(3S)-1-([1,2,4]triazolo[1,5-a]pyrazin-8-yl)pyrrolidin-3-yl]carbamate;8-chloro-[1,2,4]triazolo[1,5-a]pyrazine;1-(4-fluorophenyl)pyrazole-3-carboxylic acid;1-(4-fluorophenyl)-N-[(3S)-1-([1,2,4]triazolo[1,5-a]pyrazin-8-yl)pyrrolidin-3-yl]pyrazole-3-carboxamide;methane;(3S)-3-methylpyrrolidine;(3S)-1-([1,2,4]triazolo[1,5-a]pyrazin-8-yl)pyrrolidin-3-amine has a molecular weight of 1395.00 g/mol, XLogP of 7.36, 9 rotatable bonds, 5 hydrogen bond donors, and 29 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(3S)-1-([1,2,4]triazolo[1,5-a]pyrazin-8-yl)pyrrolidin-3-yl]carbamate;8-chloro-[1,2,4]triazolo[1,5-a]pyrazine;1-(4-fluorophenyl)pyrazole-3-carboxylic acid;1-(4-fluorophenyl)-N-[(3S)-1-([1,2,4]triazolo[1,5-a]pyrazin-8-yl)pyrrolidin-3-yl]pyrazole-3-carboxamide;methane;(3S)-3-methylpyrrolidine;(3S)-1-([1,2,4]triazolo[1,5-a]pyrazin-8-yl)pyrrolidin-3-amine is sourced from PubChem (CID 159069548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).