(2R)-1-(6-cyano-[1,3]thiazolo[4,5-b]pyridin-2-yl)-N-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidine-2-carboxamide

C20H16F3N5OS — CID 139355585

IUPAC(2R)-1-(6-cyano-[1,3]thiazolo[4,5-b]pyridin-2-yl)-N-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidine-2-carboxamide
SMILESN#Cc1cnc2nc(N3CCC[C@@H]3C(=O)NCc3ccccc3C(F)(F)F)sc2c1
InChIInChI=1S/C20H16F3N5OS/c21-20(22,23)14-5-2-1-4-13(14)11-26-18(29)15-6-3-7-28(15)19-27-17-16(30-19)8-12(9-24)10-25-17/h1-2,4-5,8,10,15H,3,6-7,11H2,(H,26,29)/t15-/m1/s1
InChIKeyFVOGYQDHJJXJBO-OAHLLOKOSA-N
MW431.44 g/mol
LogP3.87
Rot. Bonds4

About (2R)-1-(6-cyano-[1,3]thiazolo[4,5-b]pyridin-2-yl)-N-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidine-2-carboxamide

(2R)-1-(6-cyano-[1,3]thiazolo[4,5-b]pyridin-2-yl)-N-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidine-2-carboxamide (PubChem CID 139355585) has the molecular formula C20H16F3N5OS and a molecular weight of 431.44 g/mol. Its IUPAC name is (2R)-1-(6-cyano-[1,3]thiazolo[4,5-b]pyridin-2-yl)-N-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2R)-1-(6-cyano-[1,3]thiazolo[4,5-b]pyridin-2-yl)-N-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidine-2-carboxamide
PubChem CID139355585
Molecular FormulaC20H16F3N5OS
Molecular Weight431.44 g/mol
Exact Mass431.10
IUPAC Name(2R)-1-(6-cyano-[1,3]thiazolo[4,5-b]pyridin-2-yl)-N-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidine-2-carboxamide
SMILESN#Cc1cnc2nc(N3CCC[C@@H]3C(=O)NCc3ccccc3C(F)(F)F)sc2c1
InChIInChI=1S/C20H16F3N5OS/c21-20(22,23)14-5-2-1-4-13(14)11-26-18(29)15-6-3-7-28(15)19-27-17-16(30-19)8-12(9-24)10-25-17/h1-2,4-5,8,10,15H,3,6-7,11H2,(H,26,29)/t15-/m1/s1
InChIKeyFVOGYQDHJJXJBO-OAHLLOKOSA-N
XLogP3.87
TPSA81.91 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.44
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (2R)-1-(6-cyano-[1,3]thiazolo[4,5-b]pyridin-2-yl)-N-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-benzyl-1-[6-(2-cyanopropan-2-yl)-[1,3]thiazolo[4,5-b]pyridin-2-yl]pyrrolidine-2-carboxamide
CID 135319479
(2R)-N-benzyl-1-[7-(trifluoromethyl)-[1,3]thiazolo[4,5-d]pyrimidin-2-yl]pyrrolidine-2-carboxamide
CID 139355702
(2R)-N-benzyl-1-[6-(oxan-4-yl)-[1,3]thiazolo[4,5-b]pyridin-2-yl]pyrrolidine-2-carboxamide
CID 139355570
N-benzyl-1-[6-[2-(5-methyl-1,2,4-oxadiazol-3-yl)propan-2-yl]-[1,3]thiazolo[4,5-b]pyridin-2-yl]pyrrolidine-2-carboxamide
CID 135319693
1-pyrido[2,3-b]pyrazin-7-yl-N-[[2-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide
CID 53165945
(2R)-N-benzyl-1-(6-ethyl-[1,3]thiazolo[4,5-b]pyrazin-2-yl)pyrrolidine-2-carboxamide
CID 139355638
N-benzyl-1-(7-cyclopropyl-[1,3]thiazolo[4,5-d]pyrimidin-2-yl)pyrrolidine-2-carboxamide
CID 135319603
(2R)-N-benzyl-1-[7-(cyclopropylmethoxy)-[1,3]thiazolo[4,5-d]pyrimidin-2-yl]pyrrolidine-2-carboxamide
CID 139355730
(2R)-N-[(2-bromophenyl)methyl]-1-[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]pyrrolidine-2-carboxamide
CID 92736847
N-benzyl-1-(7-ethoxy-[1,3]thiazolo[4,5-d]pyrimidin-2-yl)pyrrolidine-2-carboxamide
CID 135319476
1-[4-(3-cyanophenyl)-6-(methylamino)-1,3,5-triazin-2-yl]-N-[[2-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide
CID 59447724
(3R)-1-(1-methyl-6-oxopyridazin-4-yl)-N-[[2-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide
CID 95115555

Frequently Asked Questions

What is the IUPAC name of (2R)-1-(6-cyano-[1,3]thiazolo[4,5-b]pyridin-2-yl)-N-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidine-2-carboxamide?
The IUPAC name of (2R)-1-(6-cyano-[1,3]thiazolo[4,5-b]pyridin-2-yl)-N-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidine-2-carboxamide (CID 139355585) is (2R)-1-(6-cyano-[1,3]thiazolo[4,5-b]pyridin-2-yl)-N-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for (2R)-1-(6-cyano-[1,3]thiazolo[4,5-b]pyridin-2-yl)-N-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidine-2-carboxamide?
The canonical SMILES for (2R)-1-(6-cyano-[1,3]thiazolo[4,5-b]pyridin-2-yl)-N-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidine-2-carboxamide is N#Cc1cnc2nc(N3CCC[C@@H]3C(=O)NCc3ccccc3C(F)(F)F)sc2c1.
What is the InChIKey of (2R)-1-(6-cyano-[1,3]thiazolo[4,5-b]pyridin-2-yl)-N-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidine-2-carboxamide?
The InChIKey is FVOGYQDHJJXJBO-OAHLLOKOSA-N. The full InChI is InChI=1S/C20H16F3N5OS/c21-20(22,23)14-5-2-1-4-13(14)11-26-18(29)15-6-3-7-28(15)19-27-17-16(30-19)8-12(9-24)10-25-17/h1-2,4-5,8,10,15H,3,6-7,11H2,(H,26,29)/t15-/m1/s1.
What are the key properties of (2R)-1-(6-cyano-[1,3]thiazolo[4,5-b]pyridin-2-yl)-N-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidine-2-carboxamide?
(2R)-1-(6-cyano-[1,3]thiazolo[4,5-b]pyridin-2-yl)-N-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidine-2-carboxamide has a molecular weight of 431.44 g/mol, XLogP of 3.87, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(6-cyano-[1,3]thiazolo[4,5-b]pyridin-2-yl)-N-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 139355585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).