N-[6-[2-[(2R)-2-(trifluoromethyl)pyrrolidine-1-carbonyl]-1,3-thiazol-4-yl]imidazo[1,2-a]pyridin-2-yl]cyclopropanecarboxamide

C20H18F3N5O2S — CID 118357004

IUPACN-[6-[2-[(2R)-2-(trifluoromethyl)pyrrolidine-1-carbonyl]-1,3-thiazol-4-yl]imidazo[1,2-a]pyridin-2-yl]cyclopropanecarboxamide
SMILESO=C(Nc1cn2cc(-c3csc(C(=O)N4CCC[C@@H]4C(F)(F)F)n3)ccc2n1)C1CC1
InChIInChI=1S/C20H18F3N5O2S/c21-20(22,23)14-2-1-7-28(14)19(30)18-24-13(10-31-18)12-5-6-16-25-15(9-27(16)8-12)26-17(29)11-3-4-11/h5-6,8-11,14H,1-4,7H2,(H,26,29)/t14-/m1/s1
InChIKeyAAQQEXWERVMMGX-CQSZACIVSA-N
MW449.46 g/mol
LogP3.97
Rot. Bonds4

About N-[6-[2-[(2R)-2-(trifluoromethyl)pyrrolidine-1-carbonyl]-1,3-thiazol-4-yl]imidazo[1,2-a]pyridin-2-yl]cyclopropanecarboxamide

N-[6-[2-[(2R)-2-(trifluoromethyl)pyrrolidine-1-carbonyl]-1,3-thiazol-4-yl]imidazo[1,2-a]pyridin-2-yl]cyclopropanecarboxamide (PubChem CID 118357004) has the molecular formula C20H18F3N5O2S and a molecular weight of 449.46 g/mol. Its IUPAC name is N-[6-[2-[(2R)-2-(trifluoromethyl)pyrrolidine-1-carbonyl]-1,3-thiazol-4-yl]imidazo[1,2-a]pyridin-2-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[6-[2-[(2R)-2-(trifluoromethyl)pyrrolidine-1-carbonyl]-1,3-thiazol-4-yl]imidazo[1,2-a]pyridin-2-yl]cyclopropanecarboxamide
PubChem CID118357004
Molecular FormulaC20H18F3N5O2S
Molecular Weight449.46 g/mol
Exact Mass449.11
IUPAC NameN-[6-[2-[(2R)-2-(trifluoromethyl)pyrrolidine-1-carbonyl]-1,3-thiazol-4-yl]imidazo[1,2-a]pyridin-2-yl]cyclopropanecarboxamide
SMILESO=C(Nc1cn2cc(-c3csc(C(=O)N4CCC[C@@H]4C(F)(F)F)n3)ccc2n1)C1CC1
InChIInChI=1S/C20H18F3N5O2S/c21-20(22,23)14-2-1-7-28(14)19(30)18-24-13(10-31-18)12-5-6-16-25-15(9-27(16)8-12)26-17(29)11-3-4-11/h5-6,8-11,14H,1-4,7H2,(H,26,29)/t14-/m1/s1
InChIKeyAAQQEXWERVMMGX-CQSZACIVSA-N
XLogP3.97
TPSA79.60 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.46
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[6-[2-[(2R)-2-(trifluoromethyl)pyrrolidine-1-carbonyl]-1,3-thiazol-4-yl]imidazo[1,2-a]pyridin-2-yl]cyclopropanecarboxamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[6-[2-[(2R)-2-(trifluoromethyl)pyrrolidine-1-carbonyl]-1,3-thiazol-4-yl]imidazo[1,2-a]pyridin-2-yl]cyclopropanecarboxamide?
The IUPAC name of N-[6-[2-[(2R)-2-(trifluoromethyl)pyrrolidine-1-carbonyl]-1,3-thiazol-4-yl]imidazo[1,2-a]pyridin-2-yl]cyclopropanecarboxamide (CID 118357004) is N-[6-[2-[(2R)-2-(trifluoromethyl)pyrrolidine-1-carbonyl]-1,3-thiazol-4-yl]imidazo[1,2-a]pyridin-2-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[6-[2-[(2R)-2-(trifluoromethyl)pyrrolidine-1-carbonyl]-1,3-thiazol-4-yl]imidazo[1,2-a]pyridin-2-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[6-[2-[(2R)-2-(trifluoromethyl)pyrrolidine-1-carbonyl]-1,3-thiazol-4-yl]imidazo[1,2-a]pyridin-2-yl]cyclopropanecarboxamide is O=C(Nc1cn2cc(-c3csc(C(=O)N4CCC[C@@H]4C(F)(F)F)n3)ccc2n1)C1CC1.
What is the InChIKey of N-[6-[2-[(2R)-2-(trifluoromethyl)pyrrolidine-1-carbonyl]-1,3-thiazol-4-yl]imidazo[1,2-a]pyridin-2-yl]cyclopropanecarboxamide?
The InChIKey is AAQQEXWERVMMGX-CQSZACIVSA-N. The full InChI is InChI=1S/C20H18F3N5O2S/c21-20(22,23)14-2-1-7-28(14)19(30)18-24-13(10-31-18)12-5-6-16-25-15(9-27(16)8-12)26-17(29)11-3-4-11/h5-6,8-11,14H,1-4,7H2,(H,26,29)/t14-/m1/s1.
What are the key properties of N-[6-[2-[(2R)-2-(trifluoromethyl)pyrrolidine-1-carbonyl]-1,3-thiazol-4-yl]imidazo[1,2-a]pyridin-2-yl]cyclopropanecarboxamide?
N-[6-[2-[(2R)-2-(trifluoromethyl)pyrrolidine-1-carbonyl]-1,3-thiazol-4-yl]imidazo[1,2-a]pyridin-2-yl]cyclopropanecarboxamide has a molecular weight of 449.46 g/mol, XLogP of 3.97, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[2-[(2R)-2-(trifluoromethyl)pyrrolidine-1-carbonyl]-1,3-thiazol-4-yl]imidazo[1,2-a]pyridin-2-yl]cyclopropanecarboxamide is sourced from PubChem (CID 118357004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).