N-[1-[4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]morpholin-2-yl]ethyl]methanesulfonamide

C19H21F3N6O3S — CID 139344368

IUPACN-[1-[4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]morpholin-2-yl]ethyl]methanesulfonamide
SMILESCC(NS(C)(=O)=O)C1CN(c2ccnc(-c3cnc4ccc(C(F)(F)F)cn34)n2)CCO1
InChIInChI=1S/C19H21F3N6O3S/c1-12(26-32(2,29)30)15-11-27(7-8-31-15)17-5-6-23-18(25-17)14-9-24-16-4-3-13(10-28(14)16)19(20,21)22/h3-6,9-10,12,15,26H,7-8,11H2,1-2H3
InChIKeyNCSLXJQXWMXHBQ-UHFFFAOYSA-N
MW470.48 g/mol
LogP1.95
Rot. Bonds5

About N-[1-[4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]morpholin-2-yl]ethyl]methanesulfonamide

N-[1-[4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]morpholin-2-yl]ethyl]methanesulfonamide (PubChem CID 139344368) has the molecular formula C19H21F3N6O3S and a molecular weight of 470.48 g/mol. Its IUPAC name is N-[1-[4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]morpholin-2-yl]ethyl]methanesulfonamide.

Molecular Properties

Compound NameN-[1-[4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]morpholin-2-yl]ethyl]methanesulfonamide
PubChem CID139344368
Molecular FormulaC19H21F3N6O3S
Molecular Weight470.48 g/mol
Exact Mass470.13
IUPAC NameN-[1-[4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]morpholin-2-yl]ethyl]methanesulfonamide
SMILESCC(NS(C)(=O)=O)C1CN(c2ccnc(-c3cnc4ccc(C(F)(F)F)cn34)n2)CCO1
InChIInChI=1S/C19H21F3N6O3S/c1-12(26-32(2,29)30)15-11-27(7-8-31-15)17-5-6-23-18(25-17)14-9-24-16-4-3-13(10-28(14)16)19(20,21)22/h3-6,9-10,12,15,26H,7-8,11H2,1-2H3
InChIKeyNCSLXJQXWMXHBQ-UHFFFAOYSA-N
XLogP1.95
TPSA101.72 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.48
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze N-[1-[4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]morpholin-2-yl]ethyl]methanesulfonamide 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-[1-[4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]morpholin-2-yl]ethyl]methanesulfonamide?
The IUPAC name of N-[1-[4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]morpholin-2-yl]ethyl]methanesulfonamide (CID 139344368) is N-[1-[4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]morpholin-2-yl]ethyl]methanesulfonamide.
What is the SMILES notation for N-[1-[4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]morpholin-2-yl]ethyl]methanesulfonamide?
The canonical SMILES for N-[1-[4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]morpholin-2-yl]ethyl]methanesulfonamide is CC(NS(C)(=O)=O)C1CN(c2ccnc(-c3cnc4ccc(C(F)(F)F)cn34)n2)CCO1.
What is the InChIKey of N-[1-[4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]morpholin-2-yl]ethyl]methanesulfonamide?
The InChIKey is NCSLXJQXWMXHBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21F3N6O3S/c1-12(26-32(2,29)30)15-11-27(7-8-31-15)17-5-6-23-18(25-17)14-9-24-16-4-3-13(10-28(14)16)19(20,21)22/h3-6,9-10,12,15,26H,7-8,11H2,1-2H3.
What are the key properties of N-[1-[4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]morpholin-2-yl]ethyl]methanesulfonamide?
N-[1-[4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]morpholin-2-yl]ethyl]methanesulfonamide has a molecular weight of 470.48 g/mol, XLogP of 1.95, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]morpholin-2-yl]ethyl]methanesulfonamide is sourced from PubChem (CID 139344368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).