N-[[(2S)-4-[3-[6-(difluoromethyl)imidazo[1,2-a]pyridin-3-yl]-1,2,4-thiadiazol-5-yl]morpholin-2-yl]methyl]methanesulfonamide;2-(1H-pyrazol-4-yl)-4-[5-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-1,2,4-thiadiazol-3-yl]morpholine;N-[[(2S)-4-[5-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-1,2,4-thiadiazol-3-yl]morpholin-2-yl]methyl]methanesulfonamide;N-[[1-[5-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-1,2,4-thiadiazol-3-yl]piperidin-3-yl]methyl]methanesulfonamide;N-[[(2S)-4-[4-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]morpholin-2-yl]methyl]methanesulfonamide

C83H86F14N30O12S9 — CID 158684994

About N-[[(2S)-4-[3-[6-(difluoromethyl)imidazo[1,2-a]pyridin-3-yl]-1,2,4-thiadiazol-5-yl]morpholin-2-yl]methyl]methanesulfonamide;2-(1H-pyrazol-4-yl)-4-[5-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-1,2,4-thiadiazol-3-yl]morpholine;N-[[(2S)-4-[5-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-1,2,4-thiadiazol-3-yl]morpholin-2-yl]methyl]methanesulfonamide;N-[[1-[5-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-1,2,4-thiadiazol-3-yl]piperidin-3-yl]methyl]methanesulfonamide;N-[[(2S)-4-[4-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]morpholin-2-yl]methyl]methanesulfonamide

N-[[(2S)-4-[3-[6-(difluoromethyl)imidazo[1,2-a]pyridin-3-yl]-1,2,4-thiadiazol-5-yl]morpholin-2-yl]methyl]methanesulfonamide;2-(1H-pyrazol-4-yl)-4-[5-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-1,2,4-thiadiazol-3-yl]morpholine;N-[[(2S)-4-[5-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-1,2,4-thiadiazol-3-yl]morpholin-2-yl]methyl]methanesulfonamide;N-[[1-[5-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-1,2,4-thiadiazol-3-yl]piperidin-3-yl]methyl]methanesulfonamide;N-[[(2S)-4-[4-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]morpholin-2-yl]methyl]methanesulfonamide (PubChem CID 158684994) has the molecular formula C83H86F14N30O12S9 and a molecular weight of 2250.37 g/mol. Its IUPAC name is N-[[(2S)-4-[3-[6-(difluoromethyl)imidazo[1,2-a]pyridin-3-yl]-1,2,4-thiadiazol-5-yl]morpholin-2-yl]methyl]methanesulfonamide;2-(1H-pyrazol-4-yl)-4-[5-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-1,2,4-thiadiazol-3-yl]morpholine;N-[[(2S)-4-[5-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-1,2,4-thiadiazol-3-yl]morpholin-2-yl]methyl]methanesulfonamide;N-[[1-[5-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-1,2,4-thiadiazol-3-yl]piperidin-3-yl]methyl]methanesulfonamide;N-[[(2S)-4-[4-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]morpholin-2-yl]methyl]methanesulfonamide.

Molecular Properties

• Compound Name: N-[[(2S)-4-[3-[6-(difluoromethyl)imidazo[1,2-a]pyridin-3-yl]-1,2,4-thiadiazol-5-yl]morpholin-2-yl]methyl]methanesulfonamide;2-(1H-pyrazol-4-yl)-4-[5-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-1,2,4-thiadiazol-3-yl]morpholine;N-[[(2S)-4-[5-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-1,2,4-thiadiazol-3-yl]morpholin-2-yl]methyl]methanesulfonamide;N-[[1-[5-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-1,2,4-thiadiazol-3-yl]piperidin-3-yl]methyl]methanesulfonamide;N-[[(2S)-4-[4-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]morpholin-2-yl]methyl]methanesulfonamide
• PubChem CID: 158684994
• Molecular Formula: C83H86F14N30O12S9
• Molecular Weight: 2250.37 g/mol
• Exact Mass: 2248.43
• IUPAC Name: N-[[(2S)-4-[3-[6-(difluoromethyl)imidazo[1,2-a]pyridin-3-yl]-1,2,4-thiadiazol-5-yl]morpholin-2-yl]methyl]methanesulfonamide;2-(1H-pyrazol-4-yl)-4-[5-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-1,2,4-thiadiazol-3-yl]morpholine;N-[[(2S)-4-[5-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-1,2,4-thiadiazol-3-yl]morpholin-2-yl]methyl]methanesulfonamide;N-[[1-[5-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-1,2,4-thiadiazol-3-yl]piperidin-3-yl]methyl]methanesulfonamide;N-[[(2S)-4-[4-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]morpholin-2-yl]methyl]methanesulfonamide
• SMILES: CS(=O)(=O)NCC1CCCN(c2nsc(-c3cnc4ccc(C(F)(F)F)cn34)n2)C1.CS(=O)(=O)NC[C@@H]1CN(c2nc(-c3cnc4ccc(C(F)(F)F)cn34)cs2)CCO1.CS(=O)(=O)NC[C@@H]1CN(c2nc(-c3cnc4ccc(C(F)F)cn34)ns2)CCO1.CS(=O)(=O)NC[C@@H]1CN(c2nsc(-c3cnc4ccc(C(F)(F)F)cn34)n2)CCO1.FC(F)(F)c1ccc2ncc(-c3nc(N4CCOC(c5cn[nH]c5)C4)ns3)n2c1
• InChI: InChI=1S/C17H14F3N7OS.C17H19F3N6O2S2.C17H18F3N5O3S2.C16H17F3N6O3S2.C16H18F2N6O3S2/c18-17(19,20)11-1-2-14-21-7-12(27(14)8-11)15-24-16(25-29-15)26-3-4-28-13(9-26)10-5-22-23-6-10;1-30(27,28)22-7-11-3-2-6-25(9-11)16-23-15(29-24-16)13-8-21-14-5-4-12(10-26(13)14)17(18,19)20;1-30(26,27)22-6-12-9-24(4-5-28-12)16-23-13(10-29-16)14-7-21-15-3-2-11(8-25(14)15)17(18,19)20;1-30(26,27)21-6-11-9-24(4-5-28-11)15-22-14(29-23-15)12-7-20-13-3-2-10(8-25(12)13)16(17,18)19;1-29(25,26)20-6-11-9-23(4-5-27-11)16-21-15(22-28-16)12-7-19-13-3-2-10(14(17)18)8-24(12)13/h1-2,5-8,13H,3-4,9H2,(H,22,23);4-5,8,10-11,22H,2-3,6-7,9H2,1H3;2-3,7-8,10,12,22H,4-6,9H2,1H3;2-3,7-8,11,21H,4-6,9H2,1H3;2-3,7-8,11,14,20H,4-6,9H2,1H3/t;;12-;2*11-/m..111/s1
• InChIKey: IFPVDSDHGXUDFM-KMHMVMODSA-N
• XLogP: 11.21
• TPSA: 468.99 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 42
• Rotatable Bonds: 24
• Heavy Atoms: 148
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2250.37
LogP ≤ 5	11.21
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	42

Frequently Asked Questions

What is the IUPAC name of N-[[(2S)-4-[3-[6-(difluoromethyl)imidazo[1,2-a]pyridin-3-yl]-1,2,4-thiadiazol-5-yl]morpholin-2-yl]methyl]methanesulfonamide;2-(1H-pyrazol-4-yl)-4-[5-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-1,2,4-thiadiazol-3-yl]morpholine;N-[[(2S)-4-[5-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-1,2,4-thiadiazol-3-yl]morpholin-2-yl]methyl]methanesulfonamide;N-[[1-[5-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-1,2,4-thiadiazol-3-yl]piperidin-3-yl]methyl]methanesulfonamide;N-[[(2S)-4-[4-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]morpholin-2-yl]methyl]methanesulfonamide?

The IUPAC name of N-[[(2S)-4-[3-[6-(difluoromethyl)imidazo[1,2-a]pyridin-3-yl]-1,2,4-thiadiazol-5-yl]morpholin-2-yl]methyl]methanesulfonamide;2-(1H-pyrazol-4-yl)-4-[5-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-1,2,4-thiadiazol-3-yl]morpholine;N-[[(2S)-4-[5-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-1,2,4-thiadiazol-3-yl]morpholin-2-yl]methyl]methanesulfonamide;N-[[1-[5-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-1,2,4-thiadiazol-3-yl]piperidin-3-yl]methyl]methanesulfonamide;N-[[(2S)-4-[4-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]morpholin-2-yl]methyl]methanesulfonamide (CID 158684994) is N-[[(2S)-4-[3-[6-(difluoromethyl)imidazo[1,2-a]pyridin-3-yl]-1,2,4-thiadiazol-5-yl]morpholin-2-yl]methyl]methanesulfonamide;2-(1H-pyrazol-4-yl)-4-[5-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-1,2,4-thiadiazol-3-yl]morpholine;N-[[(2S)-4-[5-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-1,2,4-thiadiazol-3-yl]morpholin-2-yl]methyl]methanesulfonamide;N-[[1-[5-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-1,2,4-thiadiazol-3-yl]piperidin-3-yl]methyl]methanesulfonamide;N-[[(2S)-4-[4-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]morpholin-2-yl]methyl]methanesulfonamide.

What is the SMILES notation for N-[[(2S)-4-[3-[6-(difluoromethyl)imidazo[1,2-a]pyridin-3-yl]-1,2,4-thiadiazol-5-yl]morpholin-2-yl]methyl]methanesulfonamide;2-(1H-pyrazol-4-yl)-4-[5-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-1,2,4-thiadiazol-3-yl]morpholine;N-[[(2S)-4-[5-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-1,2,4-thiadiazol-3-yl]morpholin-2-yl]methyl]methanesulfonamide;N-[[1-[5-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-1,2,4-thiadiazol-3-yl]piperidin-3-yl]methyl]methanesulfonamide;N-[[(2S)-4-[4-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]morpholin-2-yl]methyl]methanesulfonamide?

The canonical SMILES for N-[[(2S)-4-[3-[6-(difluoromethyl)imidazo[1,2-a]pyridin-3-yl]-1,2,4-thiadiazol-5-yl]morpholin-2-yl]methyl]methanesulfonamide;2-(1H-pyrazol-4-yl)-4-[5-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-1,2,4-thiadiazol-3-yl]morpholine;N-[[(2S)-4-[5-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-1,2,4-thiadiazol-3-yl]morpholin-2-yl]methyl]methanesulfonamide;N-[[1-[5-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-1,2,4-thiadiazol-3-yl]piperidin-3-yl]methyl]methanesulfonamide;N-[[(2S)-4-[4-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]morpholin-2-yl]methyl]methanesulfonamide is CS(=O)(=O)NCC1CCCN(c2nsc(-c3cnc4ccc(C(F)(F)F)cn34)n2)C1.CS(=O)(=O)NC[C@@H]1CN(c2nc(-c3cnc4ccc(C(F)(F)F)cn34)cs2)CCO1.CS(=O)(=O)NC[C@@H]1CN(c2nc(-c3cnc4ccc(C(F)F)cn34)ns2)CCO1.CS(=O)(=O)NC[C@@H]1CN(c2nsc(-c3cnc4ccc(C(F)(F)F)cn34)n2)CCO1.FC(F)(F)c1ccc2ncc(-c3nc(N4CCOC(c5cn[nH]c5)C4)ns3)n2c1.

What is the InChIKey of N-[[(2S)-4-[3-[6-(difluoromethyl)imidazo[1,2-a]pyridin-3-yl]-1,2,4-thiadiazol-5-yl]morpholin-2-yl]methyl]methanesulfonamide;2-(1H-pyrazol-4-yl)-4-[5-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-1,2,4-thiadiazol-3-yl]morpholine;N-[[(2S)-4-[5-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-1,2,4-thiadiazol-3-yl]morpholin-2-yl]methyl]methanesulfonamide;N-[[1-[5-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-1,2,4-thiadiazol-3-yl]piperidin-3-yl]methyl]methanesulfonamide;N-[[(2S)-4-[4-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]morpholin-2-yl]methyl]methanesulfonamide?

The InChIKey is IFPVDSDHGXUDFM-KMHMVMODSA-N. The full InChI is InChI=1S/C17H14F3N7OS.C17H19F3N6O2S2.C17H18F3N5O3S2.C16H17F3N6O3S2.C16H18F2N6O3S2/c18-17(19,20)11-1-2-14-21-7-12(27(14)8-11)15-24-16(25-29-15)26-3-4-28-13(9-26)10-5-22-23-6-10;1-30(27,28)22-7-11-3-2-6-25(9-11)16-23-15(29-24-16)13-8-21-14-5-4-12(10-26(13)14)17(18,19)20;1-30(26,27)22-6-12-9-24(4-5-28-12)16-23-13(10-29-16)14-7-21-15-3-2-11(8-25(14)15)17(18,19)20;1-30(26,27)21-6-11-9-24(4-5-28-11)15-22-14(29-23-15)12-7-20-13-3-2-10(8-25(12)13)16(17,18)19;1-29(25,26)20-6-11-9-23(4-5-27-11)16-21-15(22-28-16)12-7-19-13-3-2-10(14(17)18)8-24(12)13/h1-2,5-8,13H,3-4,9H2,(H,22,23);4-5,8,10-11,22H,2-3,6-7,9H2,1H3;2-3,7-8,10,12,22H,4-6,9H2,1H3;2-3,7-8,11,21H,4-6,9H2,1H3;2-3,7-8,11,14,20H,4-6,9H2,1H3/t;;12-;2*11-/m..111/s1.

What are the key properties of N-[[(2S)-4-[3-[6-(difluoromethyl)imidazo[1,2-a]pyridin-3-yl]-1,2,4-thiadiazol-5-yl]morpholin-2-yl]methyl]methanesulfonamide;2-(1H-pyrazol-4-yl)-4-[5-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-1,2,4-thiadiazol-3-yl]morpholine;N-[[(2S)-4-[5-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-1,2,4-thiadiazol-3-yl]morpholin-2-yl]methyl]methanesulfonamide;N-[[1-[5-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-1,2,4-thiadiazol-3-yl]piperidin-3-yl]methyl]methanesulfonamide;N-[[(2S)-4-[4-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]morpholin-2-yl]methyl]methanesulfonamide?

N-[[(2S)-4-[3-[6-(difluoromethyl)imidazo[1,2-a]pyridin-3-yl]-1,2,4-thiadiazol-5-yl]morpholin-2-yl]methyl]methanesulfonamide;2-(1H-pyrazol-4-yl)-4-[5-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-1,2,4-thiadiazol-3-yl]morpholine;N-[[(2S)-4-[5-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-1,2,4-thiadiazol-3-yl]morpholin-2-yl]methyl]methanesulfonamide;N-[[1-[5-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-1,2,4-thiadiazol-3-yl]piperidin-3-yl]methyl]methanesulfonamide;N-[[(2S)-4-[4-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]morpholin-2-yl]methyl]methanesulfonamide has a molecular weight of 2250.37 g/mol, XLogP of 11.21, 24 rotatable bonds, 5 hydrogen bond donors, and 42 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[(2S)-4-[3-[6-(difluoromethyl)imidazo[1,2-a]pyridin-3-yl]-1,2,4-thiadiazol-5-yl]morpholin-2-yl]methyl]methanesulfonamide;2-(1H-pyrazol-4-yl)-4-[5-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-1,2,4-thiadiazol-3-yl]morpholine;N-[[(2S)-4-[5-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-1,2,4-thiadiazol-3-yl]morpholin-2-yl]methyl]methanesulfonamide;N-[[1-[5-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-1,2,4-thiadiazol-3-yl]piperidin-3-yl]methyl]methanesulfonamide;N-[[(2S)-4-[4-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]morpholin-2-yl]methyl]methanesulfonamide is sourced from PubChem (CID 158684994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).