N-[[4-[2-[6-(difluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]-3-methyl-1-(oxetan-3-yl)piperazin-2-yl]methyl]methanesulfonamide;[(3R,5R)-1-[2-[6-(difluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]-5-methylpiperidin-3-yl]imino-dimethyl-oxo-λ6-sulfane;N-[1-[2-[6-(difluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]-5-(trifluoromethyl)piperidin-3-yl]methanesulfonamide

C61H70F9N19O6S3 — CID 159386084

IUPACN-[[4-[2-[6-(difluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]-3-methyl-1-(oxetan-3-yl)piperazin-2-yl]methyl]methanesulfonamide;[(3R,5R)-1-[2-[6-(difluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]-5-methylpiperidin-3-yl]imino-dimethyl-oxo-λ6-sulfane;N-[1-[2-[6-(difluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]-5-(trifluoromethyl)piperidin-3-yl]methanesulfonamide
SMILESCC1C(CNS(C)(=O)=O)N(C2COC2)CCN1c1ccnc(-c2cnc3ccc(C(F)F)cn23)n1.CS(=O)(=O)NC1CC(C(F)(F)F)CN(c2ccnc(-c3cnc4ccc(C(F)F)cn34)n2)C1.C[C@@H]1C[C@@H](N=S(C)(C)=O)CN(c2ccnc(-c3cnc4ccc(C(F)F)cn34)n2)C1
InChIInChI=1S/C22H27F2N7O3S.C20H24F2N6OS.C19H19F5N6O2S/c1-14-17(10-27-35(2,32)33)30(16-12-34-13-16)8-7-29(14)20-5-6-25-22(28-20)18-9-26-19-4-3-15(21(23)24)11-31(18)19;1-13-8-15(26-30(2,3)29)12-27(10-13)18-6-7-23-20(25-18)16-9-24-17-5-4-14(19(21)22)11-28(16)17;1-33(31,32)28-13-6-12(19(22,23)24)9-29(10-13)16-4-5-25-18(27-16)14-7-26-15-3-2-11(17(20)21)8-30(14)15/h3-6,9,11,14,16-17,21,27H,7-8,10,12-13H2,1-2H3;4-7,9,11,13,15,19H,8,10,12H2,1-3H3;2-5,7-8,12-13,17,28H,6,9-10H2,1H3/t;13-,15-;/m.1./s1
InChIKeyLLMXQBPFOQKULN-HBMXTCKZSA-N
MW1432.54 g/mol
LogP8.26
Rot. Bonds16

About N-[[4-[2-[6-(difluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]-3-methyl-1-(oxetan-3-yl)piperazin-2-yl]methyl]methanesulfonamide;[(3R,5R)-1-[2-[6-(difluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]-5-methylpiperidin-3-yl]imino-dimethyl-oxo-λ6-sulfane;N-[1-[2-[6-(difluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]-5-(trifluoromethyl)piperidin-3-yl]methanesulfonamide

N-[[4-[2-[6-(difluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]-3-methyl-1-(oxetan-3-yl)piperazin-2-yl]methyl]methanesulfonamide;[(3R,5R)-1-[2-[6-(difluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]-5-methylpiperidin-3-yl]imino-dimethyl-oxo-λ6-sulfane;N-[1-[2-[6-(difluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]-5-(trifluoromethyl)piperidin-3-yl]methanesulfonamide (PubChem CID 159386084) has the molecular formula C61H70F9N19O6S3 and a molecular weight of 1432.54 g/mol. Its IUPAC name is N-[[4-[2-[6-(difluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]-3-methyl-1-(oxetan-3-yl)piperazin-2-yl]methyl]methanesulfonamide;[(3R,5R)-1-[2-[6-(difluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]-5-methylpiperidin-3-yl]imino-dimethyl-oxo-λ6-sulfane;N-[1-[2-[6-(difluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]-5-(trifluoromethyl)piperidin-3-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[[4-[2-[6-(difluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]-3-methyl-1-(oxetan-3-yl)piperazin-2-yl]methyl]methanesulfonamide;[(3R,5R)-1-[2-[6-(difluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]-5-methylpiperidin-3-yl]imino-dimethyl-oxo-λ6-sulfane;N-[1-[2-[6-(difluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]-5-(trifluoromethyl)piperidin-3-yl]methanesulfonamide
PubChem CID159386084
Molecular FormulaC61H70F9N19O6S3
Molecular Weight1432.54 g/mol
Exact Mass1431.48
IUPAC NameN-[[4-[2-[6-(difluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]-3-methyl-1-(oxetan-3-yl)piperazin-2-yl]methyl]methanesulfonamide;[(3R,5R)-1-[2-[6-(difluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]-5-methylpiperidin-3-yl]imino-dimethyl-oxo-λ6-sulfane;N-[1-[2-[6-(difluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]-5-(trifluoromethyl)piperidin-3-yl]methanesulfonamide
SMILESCC1C(CNS(C)(=O)=O)N(C2COC2)CCN1c1ccnc(-c2cnc3ccc(C(F)F)cn23)n1.CS(=O)(=O)NC1CC(C(F)(F)F)CN(c2ccnc(-c3cnc4ccc(C(F)F)cn34)n2)C1.C[C@@H]1C[C@@H](N=S(C)(C)=O)CN(c2ccnc(-c3cnc4ccc(C(F)F)cn34)n2)C1
InChIInChI=1S/C22H27F2N7O3S.C20H24F2N6OS.C19H19F5N6O2S/c1-14-17(10-27-35(2,32)33)30(16-12-34-13-16)8-7-29(14)20-5-6-25-22(28-20)18-9-26-19-4-3-15(21(23)24)11-31(18)19;1-13-8-15(26-30(2,3)29)12-27(10-13)18-6-7-23-20(25-18)16-9-24-17-5-4-14(19(21)22)11-28(16)17;1-33(31,32)28-13-6-12(19(22,23)24)9-29(10-13)16-4-5-25-18(27-16)14-7-26-15-3-2-11(17(20)21)8-30(14)15/h3-6,9,11,14,16-17,21,27H,7-8,10,12-13H2,1-2H3;4-7,9,11,13,15,19H,8,10,12H2,1-3H3;2-5,7-8,12-13,17,28H,6,9-10H2,1H3/t;13-,15-;/m.1./s1
InChIKeyLLMXQBPFOQKULN-HBMXTCKZSA-N
XLogP8.26
TPSA273.20 Ų
H-Bond Donors2
H-Bond Acceptors23
Rotatable Bonds16
Heavy Atoms98
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001432.54
LogP ≤ 58.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1023

Analyze N-[[4-[2-[6-(difluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]-3-methyl-1-(oxetan-3-yl)piperazin-2-yl]methyl]methanesulfonamide;[(3R,5R)-1-[2-[6-(difluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]-5-methylpiperidin-3-yl]imino-dimethyl-oxo-λ6-sulfane;N-[1-[2-[6-(difluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]-5-(trifluoromethyl)piperidin-3-yl]methanesulfonamide with MolForge

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Related Compounds

5-[2-[(4-Methylsulfonylpiperazin-1-yl)methyl]-8-morpholin-4-ylimidazo[1,2-a]pyrazin-6-yl]-4-(trifluoromethyl)pyrimidin-2-amine
CID 70693248
5-[2-[(4-Methylsulfonylpiperazin-1-yl)methyl]-8-morpholin-4-ylimidazo[1,2-a]pyrazin-6-yl]pyridin-2-amine
CID 70682713
4-[2-[(4-methylsulfonylpiperazin-1-yl)methyl]-6-(1H-pyrrolo[2,3-b]pyridin-5-yl)imidazo[1,2-a]pyrazin-8-yl]morpholine
CID 70697345
N-[1-[4-[6-(difluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]-5-(trifluoromethyl)piperidin-3-yl]methanesulfonamide
CID 139344306
N-[(1R)-1-[(2R)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]morpholin-2-yl]ethyl]methanesulfonamide
CID 139344318
N-[[(2S)-4-[4-[6-(difluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]morpholin-2-yl]methyl]methanesulfonamide
CID 139344336
N-[1-[4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]morpholin-2-yl]ethyl]methanesulfonamide
CID 139344368
N-[[(2S)-4-[2-[6-(difluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]morpholin-2-yl]methyl]methanesulfonamide
CID 139344470
N-[5-(trifluoromethyl)-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperidin-3-yl]methanesulfonamide
CID 139344496
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
N-[[4-[2-[6-(difluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]-3-methyl-1-(oxetan-3-yl)piperazin-2-yl]methyl]methanesulfonamide
CID 139344539
2-Methylsulfonyl-8-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]-5-oxa-2,8-diazaspiro[3.5]nonane
CID 139344553

Frequently Asked Questions

What is the IUPAC name of N-[[4-[2-[6-(difluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]-3-methyl-1-(oxetan-3-yl)piperazin-2-yl]methyl]methanesulfonamide;[(3R,5R)-1-[2-[6-(difluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]-5-methylpiperidin-3-yl]imino-dimethyl-oxo-λ6-sulfane;N-[1-[2-[6-(difluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]-5-(trifluoromethyl)piperidin-3-yl]methanesulfonamide?
The IUPAC name of N-[[4-[2-[6-(difluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]-3-methyl-1-(oxetan-3-yl)piperazin-2-yl]methyl]methanesulfonamide;[(3R,5R)-1-[2-[6-(difluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]-5-methylpiperidin-3-yl]imino-dimethyl-oxo-λ6-sulfane;N-[1-[2-[6-(difluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]-5-(trifluoromethyl)piperidin-3-yl]methanesulfonamide (CID 159386084) is N-[[4-[2-[6-(difluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]-3-methyl-1-(oxetan-3-yl)piperazin-2-yl]methyl]methanesulfonamide;[(3R,5R)-1-[2-[6-(difluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]-5-methylpiperidin-3-yl]imino-dimethyl-oxo-λ6-sulfane;N-[1-[2-[6-(difluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]-5-(trifluoromethyl)piperidin-3-yl]methanesulfonamide.
What is the SMILES notation for N-[[4-[2-[6-(difluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]-3-methyl-1-(oxetan-3-yl)piperazin-2-yl]methyl]methanesulfonamide;[(3R,5R)-1-[2-[6-(difluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]-5-methylpiperidin-3-yl]imino-dimethyl-oxo-λ6-sulfane;N-[1-[2-[6-(difluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]-5-(trifluoromethyl)piperidin-3-yl]methanesulfonamide?
The canonical SMILES for N-[[4-[2-[6-(difluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]-3-methyl-1-(oxetan-3-yl)piperazin-2-yl]methyl]methanesulfonamide;[(3R,5R)-1-[2-[6-(difluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]-5-methylpiperidin-3-yl]imino-dimethyl-oxo-λ6-sulfane;N-[1-[2-[6-(difluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]-5-(trifluoromethyl)piperidin-3-yl]methanesulfonamide is CC1C(CNS(C)(=O)=O)N(C2COC2)CCN1c1ccnc(-c2cnc3ccc(C(F)F)cn23)n1.CS(=O)(=O)NC1CC(C(F)(F)F)CN(c2ccnc(-c3cnc4ccc(C(F)F)cn34)n2)C1.C[C@@H]1C[C@@H](N=S(C)(C)=O)CN(c2ccnc(-c3cnc4ccc(C(F)F)cn34)n2)C1.
What is the InChIKey of N-[[4-[2-[6-(difluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]-3-methyl-1-(oxetan-3-yl)piperazin-2-yl]methyl]methanesulfonamide;[(3R,5R)-1-[2-[6-(difluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]-5-methylpiperidin-3-yl]imino-dimethyl-oxo-λ6-sulfane;N-[1-[2-[6-(difluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]-5-(trifluoromethyl)piperidin-3-yl]methanesulfonamide?
The InChIKey is LLMXQBPFOQKULN-HBMXTCKZSA-N. The full InChI is InChI=1S/C22H27F2N7O3S.C20H24F2N6OS.C19H19F5N6O2S/c1-14-17(10-27-35(2,32)33)30(16-12-34-13-16)8-7-29(14)20-5-6-25-22(28-20)18-9-26-19-4-3-15(21(23)24)11-31(18)19;1-13-8-15(26-30(2,3)29)12-27(10-13)18-6-7-23-20(25-18)16-9-24-17-5-4-14(19(21)22)11-28(16)17;1-33(31,32)28-13-6-12(19(22,23)24)9-29(10-13)16-4-5-25-18(27-16)14-7-26-15-3-2-11(17(20)21)8-30(14)15/h3-6,9,11,14,16-17,21,27H,7-8,10,12-13H2,1-2H3;4-7,9,11,13,15,19H,8,10,12H2,1-3H3;2-5,7-8,12-13,17,28H,6,9-10H2,1H3/t;13-,15-;/m.1./s1.
What are the key properties of N-[[4-[2-[6-(difluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]-3-methyl-1-(oxetan-3-yl)piperazin-2-yl]methyl]methanesulfonamide;[(3R,5R)-1-[2-[6-(difluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]-5-methylpiperidin-3-yl]imino-dimethyl-oxo-λ6-sulfane;N-[1-[2-[6-(difluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]-5-(trifluoromethyl)piperidin-3-yl]methanesulfonamide?
N-[[4-[2-[6-(difluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]-3-methyl-1-(oxetan-3-yl)piperazin-2-yl]methyl]methanesulfonamide;[(3R,5R)-1-[2-[6-(difluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]-5-methylpiperidin-3-yl]imino-dimethyl-oxo-λ6-sulfane;N-[1-[2-[6-(difluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]-5-(trifluoromethyl)piperidin-3-yl]methanesulfonamide has a molecular weight of 1432.54 g/mol, XLogP of 8.26, 16 rotatable bonds, 2 hydrogen bond donors, and 23 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[2-[6-(difluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]-3-methyl-1-(oxetan-3-yl)piperazin-2-yl]methyl]methanesulfonamide;[(3R,5R)-1-[2-[6-(difluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]-5-methylpiperidin-3-yl]imino-dimethyl-oxo-λ6-sulfane;N-[1-[2-[6-(difluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]-5-(trifluoromethyl)piperidin-3-yl]methanesulfonamide is sourced from PubChem (CID 159386084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).