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

C19H21F3N6O3S — CID 139344505

IUPACN-[(1S)-1-[(2S)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]morpholin-2-yl]ethyl]methanesulfonamide
SMILESC[C@H](NS(C)(=O)=O)[C@@H]1CN(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/t12-,15-/m0/s1
InChIKeyNCSLXJQXWMXHBQ-WFASDCNBSA-N
MW470.48 g/mol
LogP1.95
Rot. Bonds5

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

N-[(1S)-1-[(2S)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]morpholin-2-yl]ethyl]methanesulfonamide (PubChem CID 139344505) has the molecular formula C19H21F3N6O3S and a molecular weight of 470.48 g/mol. Its IUPAC name is N-[(1S)-1-[(2S)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]morpholin-2-yl]ethyl]methanesulfonamide.

Molecular Properties

Compound NameN-[(1S)-1-[(2S)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]morpholin-2-yl]ethyl]methanesulfonamide
PubChem CID139344505
Molecular FormulaC19H21F3N6O3S
Molecular Weight470.48 g/mol
Exact Mass470.13
IUPAC NameN-[(1S)-1-[(2S)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]morpholin-2-yl]ethyl]methanesulfonamide
SMILESC[C@H](NS(C)(=O)=O)[C@@H]1CN(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/t12-,15-/m0/s1
InChIKeyNCSLXJQXWMXHBQ-WFASDCNBSA-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

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Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-[(2S)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]morpholin-2-yl]ethyl]methanesulfonamide?
The IUPAC name of N-[(1S)-1-[(2S)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]morpholin-2-yl]ethyl]methanesulfonamide (CID 139344505) is N-[(1S)-1-[(2S)-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-[(1S)-1-[(2S)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]morpholin-2-yl]ethyl]methanesulfonamide?
The canonical SMILES for N-[(1S)-1-[(2S)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]morpholin-2-yl]ethyl]methanesulfonamide is C[C@H](NS(C)(=O)=O)[C@@H]1CN(c2ccnc(-c3cnc4ccc(C(F)(F)F)cn34)n2)CCO1.
What is the InChIKey of N-[(1S)-1-[(2S)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]morpholin-2-yl]ethyl]methanesulfonamide?
The InChIKey is NCSLXJQXWMXHBQ-WFASDCNBSA-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/t12-,15-/m0/s1.
What are the key properties of N-[(1S)-1-[(2S)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]morpholin-2-yl]ethyl]methanesulfonamide?
N-[(1S)-1-[(2S)-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-[(1S)-1-[(2S)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]morpholin-2-yl]ethyl]methanesulfonamide is sourced from PubChem (CID 139344505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).