N-[(2S)-1-[[5-(1,1-difluoroethyl)-3-fluoro-2-pyridinyl]oxy]propan-2-yl]-N-ethyl-6-methyl-3-(triazol-2-yl)pyridine-2-carboxamide;N-[(2S)-1-[[5-(1,1-difluoroethyl)-2-pyridinyl]oxy]propan-2-yl]-N-ethyl-5-methyl-3-(1-methylpyrazol-3-yl)pyridine-2-carboxamide;N-[(2S)-1-[[5-(1,1-difluoroethyl)-2-pyridinyl]oxy]propan-2-yl]-N-ethyl-6-methyl-2-(triazol-2-yl)pyridine-3-carboxamide;N-[(2S)-1-[5-(1,1-difluoroethyl)pyrimidin-2-yl]oxypropan-2-yl]-N-ethyl-2-methyl-4-phenylpyrimidine-5-carboxamide;N-[(2S)-1-[5-(1,1-difluoroethyl)pyrimidin-2-yl]oxypropan-2-yl]-N-ethyl-3-phenylpyridine-2-carboxamide

C111H123F11N26O10 — CID 159451087

IUPACN-[(2S)-1-[[5-(1,1-difluoroethyl)-3-fluoro-2-pyridinyl]oxy]propan-2-yl]-N-ethyl-6-methyl-3-(triazol-2-yl)pyridine-2-carboxamide;N-[(2S)-1-[[5-(1,1-difluoroethyl)-2-pyridinyl]oxy]propan-2-yl]-N-ethyl-5-methyl-3-(1-methylpyrazol-3-yl)pyridine-2-carboxamide;N-[(2S)-1-[[5-(1,1-difluoroethyl)-2-pyridinyl]oxy]propan-2-yl]-N-ethyl-6-methyl-2-(triazol-2-yl)pyridine-3-carboxamide;N-[(2S)-1-[5-(1,1-difluoroethyl)pyrimidin-2-yl]oxypropan-2-yl]-N-ethyl-2-methyl-4-phenylpyrimidine-5-carboxamide;N-[(2S)-1-[5-(1,1-difluoroethyl)pyrimidin-2-yl]oxypropan-2-yl]-N-ethyl-3-phenylpyridine-2-carboxamide
SMILESCCN(C(=O)c1ccc(C)nc1-n1nccn1)[C@@H](C)COc1ccc(C(C)(F)F)cn1.CCN(C(=O)c1cnc(C)nc1-c1ccccc1)[C@@H](C)COc1ncc(C(C)(F)F)cn1.CCN(C(=O)c1nc(C)ccc1-n1nccn1)[C@@H](C)COc1ncc(C(C)(F)F)cc1F.CCN(C(=O)c1ncc(C)cc1-c1ccn(C)n1)[C@@H](C)COc1ccc(C(C)(F)F)cn1.CCN(C(=O)c1ncccc1-c1ccccc1)[C@@H](C)COc1ncc(C(C)(F)F)cn1
InChIInChI=1S/C23H27F2N5O2.C23H25F2N5O2.C23H24F2N4O2.C21H23F3N6O2.C21H24F2N6O2/c1-6-30(16(3)14-32-20-8-7-17(13-26-20)23(4,24)25)22(31)21-18(11-15(2)12-27-21)19-9-10-29(5)28-19;1-5-30(15(2)14-32-22-27-11-18(12-28-22)23(4,24)25)21(31)19-13-26-16(3)29-20(19)17-9-7-6-8-10-17;1-4-29(16(2)15-31-22-27-13-18(14-28-22)23(3,24)25)21(30)20-19(11-8-12-26-20)17-9-6-5-7-10-17;1-5-29(14(3)12-32-19-16(22)10-15(11-25-19)21(4,23)24)20(31)18-17(7-6-13(2)28-18)30-26-8-9-27-30;1-5-28(15(3)13-31-18-9-7-16(12-24-18)21(4,22)23)20(30)17-8-6-14(2)27-19(17)29-25-10-11-26-29/h7-13,16H,6,14H2,1-5H3;6-13,15H,5,14H2,1-4H3;5-14,16H,4,15H2,1-3H3;6-11,14H,5,12H2,1-4H3;6-12,15H,5,13H2,1-4H3/t16-;15-;16-;14-;15-/m00000/s1
InChIKeyLTJQXMLVCSUUME-XDOFOJMSSA-N
MW2190.35 g/mol
LogP20.04
Rot. Bonds40

About N-[(2S)-1-[[5-(1,1-difluoroethyl)-3-fluoro-2-pyridinyl]oxy]propan-2-yl]-N-ethyl-6-methyl-3-(triazol-2-yl)pyridine-2-carboxamide;N-[(2S)-1-[[5-(1,1-difluoroethyl)-2-pyridinyl]oxy]propan-2-yl]-N-ethyl-5-methyl-3-(1-methylpyrazol-3-yl)pyridine-2-carboxamide;N-[(2S)-1-[[5-(1,1-difluoroethyl)-2-pyridinyl]oxy]propan-2-yl]-N-ethyl-6-methyl-2-(triazol-2-yl)pyridine-3-carboxamide;N-[(2S)-1-[5-(1,1-difluoroethyl)pyrimidin-2-yl]oxypropan-2-yl]-N-ethyl-2-methyl-4-phenylpyrimidine-5-carboxamide;N-[(2S)-1-[5-(1,1-difluoroethyl)pyrimidin-2-yl]oxypropan-2-yl]-N-ethyl-3-phenylpyridine-2-carboxamide

N-[(2S)-1-[[5-(1,1-difluoroethyl)-3-fluoro-2-pyridinyl]oxy]propan-2-yl]-N-ethyl-6-methyl-3-(triazol-2-yl)pyridine-2-carboxamide;N-[(2S)-1-[[5-(1,1-difluoroethyl)-2-pyridinyl]oxy]propan-2-yl]-N-ethyl-5-methyl-3-(1-methylpyrazol-3-yl)pyridine-2-carboxamide;N-[(2S)-1-[[5-(1,1-difluoroethyl)-2-pyridinyl]oxy]propan-2-yl]-N-ethyl-6-methyl-2-(triazol-2-yl)pyridine-3-carboxamide;N-[(2S)-1-[5-(1,1-difluoroethyl)pyrimidin-2-yl]oxypropan-2-yl]-N-ethyl-2-methyl-4-phenylpyrimidine-5-carboxamide;N-[(2S)-1-[5-(1,1-difluoroethyl)pyrimidin-2-yl]oxypropan-2-yl]-N-ethyl-3-phenylpyridine-2-carboxamide (PubChem CID 159451087) has the molecular formula C111H123F11N26O10 and a molecular weight of 2190.35 g/mol. Its IUPAC name is N-[(2S)-1-[[5-(1,1-difluoroethyl)-3-fluoro-2-pyridinyl]oxy]propan-2-yl]-N-ethyl-6-methyl-3-(triazol-2-yl)pyridine-2-carboxamide;N-[(2S)-1-[[5-(1,1-difluoroethyl)-2-pyridinyl]oxy]propan-2-yl]-N-ethyl-5-methyl-3-(1-methylpyrazol-3-yl)pyridine-2-carboxamide;N-[(2S)-1-[[5-(1,1-difluoroethyl)-2-pyridinyl]oxy]propan-2-yl]-N-ethyl-6-methyl-2-(triazol-2-yl)pyridine-3-carboxamide;N-[(2S)-1-[5-(1,1-difluoroethyl)pyrimidin-2-yl]oxypropan-2-yl]-N-ethyl-2-methyl-4-phenylpyrimidine-5-carboxamide;N-[(2S)-1-[5-(1,1-difluoroethyl)pyrimidin-2-yl]oxypropan-2-yl]-N-ethyl-3-phenylpyridine-2-carboxamide.

Molecular Properties

Compound NameN-[(2S)-1-[[5-(1,1-difluoroethyl)-3-fluoro-2-pyridinyl]oxy]propan-2-yl]-N-ethyl-6-methyl-3-(triazol-2-yl)pyridine-2-carboxamide;N-[(2S)-1-[[5-(1,1-difluoroethyl)-2-pyridinyl]oxy]propan-2-yl]-N-ethyl-5-methyl-3-(1-methylpyrazol-3-yl)pyridine-2-carboxamide;N-[(2S)-1-[[5-(1,1-difluoroethyl)-2-pyridinyl]oxy]propan-2-yl]-N-ethyl-6-methyl-2-(triazol-2-yl)pyridine-3-carboxamide;N-[(2S)-1-[5-(1,1-difluoroethyl)pyrimidin-2-yl]oxypropan-2-yl]-N-ethyl-2-methyl-4-phenylpyrimidine-5-carboxamide;N-[(2S)-1-[5-(1,1-difluoroethyl)pyrimidin-2-yl]oxypropan-2-yl]-N-ethyl-3-phenylpyridine-2-carboxamide
PubChem CID159451087
Molecular FormulaC111H123F11N26O10
Molecular Weight2190.35 g/mol
Exact Mass2188.97
IUPAC NameN-[(2S)-1-[[5-(1,1-difluoroethyl)-3-fluoro-2-pyridinyl]oxy]propan-2-yl]-N-ethyl-6-methyl-3-(triazol-2-yl)pyridine-2-carboxamide;N-[(2S)-1-[[5-(1,1-difluoroethyl)-2-pyridinyl]oxy]propan-2-yl]-N-ethyl-5-methyl-3-(1-methylpyrazol-3-yl)pyridine-2-carboxamide;N-[(2S)-1-[[5-(1,1-difluoroethyl)-2-pyridinyl]oxy]propan-2-yl]-N-ethyl-6-methyl-2-(triazol-2-yl)pyridine-3-carboxamide;N-[(2S)-1-[5-(1,1-difluoroethyl)pyrimidin-2-yl]oxypropan-2-yl]-N-ethyl-2-methyl-4-phenylpyrimidine-5-carboxamide;N-[(2S)-1-[5-(1,1-difluoroethyl)pyrimidin-2-yl]oxypropan-2-yl]-N-ethyl-3-phenylpyridine-2-carboxamide
SMILESCCN(C(=O)c1ccc(C)nc1-n1nccn1)[C@@H](C)COc1ccc(C(C)(F)F)cn1.CCN(C(=O)c1cnc(C)nc1-c1ccccc1)[C@@H](C)COc1ncc(C(C)(F)F)cn1.CCN(C(=O)c1nc(C)ccc1-n1nccn1)[C@@H](C)COc1ncc(C(C)(F)F)cc1F.CCN(C(=O)c1ncc(C)cc1-c1ccn(C)n1)[C@@H](C)COc1ccc(C(C)(F)F)cn1.CCN(C(=O)c1ncccc1-c1ccccc1)[C@@H](C)COc1ncc(C(C)(F)F)cn1
InChIInChI=1S/C23H27F2N5O2.C23H25F2N5O2.C23H24F2N4O2.C21H23F3N6O2.C21H24F2N6O2/c1-6-30(16(3)14-32-20-8-7-17(13-26-20)23(4,24)25)22(31)21-18(11-15(2)12-27-21)19-9-10-29(5)28-19;1-5-30(15(2)14-32-22-27-11-18(12-28-22)23(4,24)25)21(31)19-13-26-16(3)29-20(19)17-9-7-6-8-10-17;1-4-29(16(2)15-31-22-27-13-18(14-28-22)23(3,24)25)21(30)20-19(11-8-12-26-20)17-9-6-5-7-10-17;1-5-29(14(3)12-32-19-16(22)10-15(11-25-19)21(4,23)24)20(31)18-17(7-6-13(2)28-18)30-26-8-9-27-30;1-5-28(15(3)13-31-18-9-7-16(12-24-18)21(4,22)23)20(30)17-8-6-14(2)27-19(17)29-25-10-11-26-29/h7-13,16H,6,14H2,1-5H3;6-13,15H,5,14H2,1-4H3;5-14,16H,4,15H2,1-3H3;6-11,14H,5,12H2,1-4H3;6-12,15H,5,13H2,1-4H3/t16-;15-;16-;14-;15-/m00000/s1
InChIKeyLTJQXMLVCSUUME-XDOFOJMSSA-N
XLogP20.04
TPSA394.51 Ų
H-Bond Donors
H-Bond Acceptors31
Rotatable Bonds40
Heavy Atoms158
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002190.35
LogP ≤ 520.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1031

Analyze N-[(2S)-1-[[5-(1,1-difluoroethyl)-3-fluoro-2-pyridinyl]oxy]propan-2-yl]-N-ethyl-6-methyl-3-(triazol-2-yl)pyridine-2-carboxamide;N-[(2S)-1-[[5-(1,1-difluoroethyl)-2-pyridinyl]oxy]propan-2-yl]-N-ethyl-5-methyl-3-(1-methylpyrazol-3-yl)pyridine-2-carboxamide;N-[(2S)-1-[[5-(1,1-difluoroethyl)-2-pyridinyl]oxy]propan-2-yl]-N-ethyl-6-methyl-2-(triazol-2-yl)pyridine-3-carboxamide;N-[(2S)-1-[5-(1,1-difluoroethyl)pyrimidin-2-yl]oxypropan-2-yl]-N-ethyl-2-methyl-4-phenylpyrimidine-5-carboxamide;N-[(2S)-1-[5-(1,1-difluoroethyl)pyrimidin-2-yl]oxypropan-2-yl]-N-ethyl-3-phenylpyridine-2-carboxamide with MolForge

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Related Compounds

3-(4-(3-(2-(2-(2-(4-((R)-3-(4-Amino-3-(4-phenoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl)piperidine-1-carbonyl)-1H-1,2,3-triazol-1-yl)ethoxy)ethoxy)ethoxy)propyl)-1-oxoisoindolin-2-yl)piperidine-2,6-dione
CID 156259935
3-[6-[3-[2-[2-[2-[4-[(3R)-3-[4-amino-3-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]piperidine-1-carbonyl]triazol-1-yl]ethoxy]ethoxy]ethoxy]propyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 162676852
3-[7-[3-[2-[2-[2-[4-[3-[4-amino-3-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]piperidine-1-carbonyl]triazol-1-yl]ethoxy]ethoxy]ethoxy]propyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 156259937
N-[6-[1-[[1-[4-(2,6-dioxopiperidin-3-yl)-3-fluorophenyl]piperidin-4-yl]methyl]piperidin-4-yl]-7-oxo-2-propan-2-yloxy-5H-pyrrolo[3,4-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 170740953
4-[3-[2-[2-[2-[4-[(3R)-3-[4-amino-3-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]piperidine-1-carbonyl]triazol-1-yl]ethoxy]ethoxy]ethoxy]propyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 171342797
2-[1-[2-[4-[[3-[5-[(3-Cyano-4-methyl-2-pyridinyl)oxy]-2-methylpiperidine-1-carbonyl]-4-[4-[[5-[5-[(3-cyano-4-methyl-2-pyridinyl)oxy]-2-methylpiperidine-1-carbonyl]-6-(triazol-2-yl)-2-pyridinyl]oxymethyl]triazol-2-yl]phenyl]methyl]triazol-2-yl]-3-fluorobenzoyl]-6-methylpiperidin-3-yl]oxy-4-methylpyridine-3-carbonitrile
CID 123155799
[5-Methyl-2-(1-methylpyrazol-4-yl)phenyl]-[3-[2-[1-[4-methyl-2-[3-methyl-2-[[[5-(trifluoromethyl)-2-pyridinyl]amino]methyl]piperidine-1-carbonyl]phenyl]triazol-4-yl]ethyl]-2-[[5-(trifluoromethyl)-2-pyridinyl]oxymethyl]piperidin-1-yl]methanone
CID 123175965
2-methyl-N-[6-[3-[(6-morpholin-4-ylpyridin-2-yl)carbamoyl]-6-[3-(trifluoromethyl)piperidin-1-yl]imidazo[1,2-b]pyridazin-8-yl]oxypyridin-2-yl]-5-[2-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 123457530
N-[2-[3-[(6-methoxy-2-pyridinyl)carbamoyl]-6-[2-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazin-1-ium-1-yl]-4-pyridinyl]-1-[2-methyl-6-[[6-[2-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine-3-carbonyl]amino]-4-pyridinyl]-6-[2-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazin-1-ium-3-carboxamide
CID 123473923
[4,5-Difluoro-2-[4-[[1-[3-fluoro-2-[4-[1-[4-fluoro-2-methyl-6-(triazol-2-yl)benzoyl]-3-methyl-2-[[5-(trifluoromethyl)-2-pyridinyl]oxymethyl]piperidin-4-yl]triazol-2-yl]-6-methylbenzoyl]-2-[[5-(trifluoromethyl)-2-pyridinyl]oxymethyl]piperidin-3-yl]methyl]triazol-2-yl]phenyl]-[3-methyl-2-[[5-(trifluoromethyl)-2-pyridinyl]oxymethyl]piperidin-1-yl]methanone
CID 123746299
N-(6-methoxypyridin-2-yl)-2-methyl-7-[[6-[[2-methyl-5-[2-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carbonyl]amino]pyridin-2-yl]-morpholin-4-ylmethyl]-5-[2-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 123944852
6-(3-fluoropyrrolidin-1-yl)-N-(6-morpholin-4-yl-2-pyridinyl)-8-[[6-[[5-[2-(trifluoromethyl)phenyl]-1-[[6-[[5-[2-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carbonyl]amino]-2-pyridinyl]oxy]pyrazolo[1,5-a]pyrimidin-1-ium-3-carbonyl]amino]-2-pyridinyl]oxymethyl]imidazo[1,2-b]pyridazine-3-carboxamide
CID 124017564

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-[[5-(1,1-difluoroethyl)-3-fluoro-2-pyridinyl]oxy]propan-2-yl]-N-ethyl-6-methyl-3-(triazol-2-yl)pyridine-2-carboxamide;N-[(2S)-1-[[5-(1,1-difluoroethyl)-2-pyridinyl]oxy]propan-2-yl]-N-ethyl-5-methyl-3-(1-methylpyrazol-3-yl)pyridine-2-carboxamide;N-[(2S)-1-[[5-(1,1-difluoroethyl)-2-pyridinyl]oxy]propan-2-yl]-N-ethyl-6-methyl-2-(triazol-2-yl)pyridine-3-carboxamide;N-[(2S)-1-[5-(1,1-difluoroethyl)pyrimidin-2-yl]oxypropan-2-yl]-N-ethyl-2-methyl-4-phenylpyrimidine-5-carboxamide;N-[(2S)-1-[5-(1,1-difluoroethyl)pyrimidin-2-yl]oxypropan-2-yl]-N-ethyl-3-phenylpyridine-2-carboxamide?
The IUPAC name of N-[(2S)-1-[[5-(1,1-difluoroethyl)-3-fluoro-2-pyridinyl]oxy]propan-2-yl]-N-ethyl-6-methyl-3-(triazol-2-yl)pyridine-2-carboxamide;N-[(2S)-1-[[5-(1,1-difluoroethyl)-2-pyridinyl]oxy]propan-2-yl]-N-ethyl-5-methyl-3-(1-methylpyrazol-3-yl)pyridine-2-carboxamide;N-[(2S)-1-[[5-(1,1-difluoroethyl)-2-pyridinyl]oxy]propan-2-yl]-N-ethyl-6-methyl-2-(triazol-2-yl)pyridine-3-carboxamide;N-[(2S)-1-[5-(1,1-difluoroethyl)pyrimidin-2-yl]oxypropan-2-yl]-N-ethyl-2-methyl-4-phenylpyrimidine-5-carboxamide;N-[(2S)-1-[5-(1,1-difluoroethyl)pyrimidin-2-yl]oxypropan-2-yl]-N-ethyl-3-phenylpyridine-2-carboxamide (CID 159451087) is N-[(2S)-1-[[5-(1,1-difluoroethyl)-3-fluoro-2-pyridinyl]oxy]propan-2-yl]-N-ethyl-6-methyl-3-(triazol-2-yl)pyridine-2-carboxamide;N-[(2S)-1-[[5-(1,1-difluoroethyl)-2-pyridinyl]oxy]propan-2-yl]-N-ethyl-5-methyl-3-(1-methylpyrazol-3-yl)pyridine-2-carboxamide;N-[(2S)-1-[[5-(1,1-difluoroethyl)-2-pyridinyl]oxy]propan-2-yl]-N-ethyl-6-methyl-2-(triazol-2-yl)pyridine-3-carboxamide;N-[(2S)-1-[5-(1,1-difluoroethyl)pyrimidin-2-yl]oxypropan-2-yl]-N-ethyl-2-methyl-4-phenylpyrimidine-5-carboxamide;N-[(2S)-1-[5-(1,1-difluoroethyl)pyrimidin-2-yl]oxypropan-2-yl]-N-ethyl-3-phenylpyridine-2-carboxamide.
What is the SMILES notation for N-[(2S)-1-[[5-(1,1-difluoroethyl)-3-fluoro-2-pyridinyl]oxy]propan-2-yl]-N-ethyl-6-methyl-3-(triazol-2-yl)pyridine-2-carboxamide;N-[(2S)-1-[[5-(1,1-difluoroethyl)-2-pyridinyl]oxy]propan-2-yl]-N-ethyl-5-methyl-3-(1-methylpyrazol-3-yl)pyridine-2-carboxamide;N-[(2S)-1-[[5-(1,1-difluoroethyl)-2-pyridinyl]oxy]propan-2-yl]-N-ethyl-6-methyl-2-(triazol-2-yl)pyridine-3-carboxamide;N-[(2S)-1-[5-(1,1-difluoroethyl)pyrimidin-2-yl]oxypropan-2-yl]-N-ethyl-2-methyl-4-phenylpyrimidine-5-carboxamide;N-[(2S)-1-[5-(1,1-difluoroethyl)pyrimidin-2-yl]oxypropan-2-yl]-N-ethyl-3-phenylpyridine-2-carboxamide?
The canonical SMILES for N-[(2S)-1-[[5-(1,1-difluoroethyl)-3-fluoro-2-pyridinyl]oxy]propan-2-yl]-N-ethyl-6-methyl-3-(triazol-2-yl)pyridine-2-carboxamide;N-[(2S)-1-[[5-(1,1-difluoroethyl)-2-pyridinyl]oxy]propan-2-yl]-N-ethyl-5-methyl-3-(1-methylpyrazol-3-yl)pyridine-2-carboxamide;N-[(2S)-1-[[5-(1,1-difluoroethyl)-2-pyridinyl]oxy]propan-2-yl]-N-ethyl-6-methyl-2-(triazol-2-yl)pyridine-3-carboxamide;N-[(2S)-1-[5-(1,1-difluoroethyl)pyrimidin-2-yl]oxypropan-2-yl]-N-ethyl-2-methyl-4-phenylpyrimidine-5-carboxamide;N-[(2S)-1-[5-(1,1-difluoroethyl)pyrimidin-2-yl]oxypropan-2-yl]-N-ethyl-3-phenylpyridine-2-carboxamide is CCN(C(=O)c1ccc(C)nc1-n1nccn1)[C@@H](C)COc1ccc(C(C)(F)F)cn1.CCN(C(=O)c1cnc(C)nc1-c1ccccc1)[C@@H](C)COc1ncc(C(C)(F)F)cn1.CCN(C(=O)c1nc(C)ccc1-n1nccn1)[C@@H](C)COc1ncc(C(C)(F)F)cc1F.CCN(C(=O)c1ncc(C)cc1-c1ccn(C)n1)[C@@H](C)COc1ccc(C(C)(F)F)cn1.CCN(C(=O)c1ncccc1-c1ccccc1)[C@@H](C)COc1ncc(C(C)(F)F)cn1.
What is the InChIKey of N-[(2S)-1-[[5-(1,1-difluoroethyl)-3-fluoro-2-pyridinyl]oxy]propan-2-yl]-N-ethyl-6-methyl-3-(triazol-2-yl)pyridine-2-carboxamide;N-[(2S)-1-[[5-(1,1-difluoroethyl)-2-pyridinyl]oxy]propan-2-yl]-N-ethyl-5-methyl-3-(1-methylpyrazol-3-yl)pyridine-2-carboxamide;N-[(2S)-1-[[5-(1,1-difluoroethyl)-2-pyridinyl]oxy]propan-2-yl]-N-ethyl-6-methyl-2-(triazol-2-yl)pyridine-3-carboxamide;N-[(2S)-1-[5-(1,1-difluoroethyl)pyrimidin-2-yl]oxypropan-2-yl]-N-ethyl-2-methyl-4-phenylpyrimidine-5-carboxamide;N-[(2S)-1-[5-(1,1-difluoroethyl)pyrimidin-2-yl]oxypropan-2-yl]-N-ethyl-3-phenylpyridine-2-carboxamide?
The InChIKey is LTJQXMLVCSUUME-XDOFOJMSSA-N. The full InChI is InChI=1S/C23H27F2N5O2.C23H25F2N5O2.C23H24F2N4O2.C21H23F3N6O2.C21H24F2N6O2/c1-6-30(16(3)14-32-20-8-7-17(13-26-20)23(4,24)25)22(31)21-18(11-15(2)12-27-21)19-9-10-29(5)28-19;1-5-30(15(2)14-32-22-27-11-18(12-28-22)23(4,24)25)21(31)19-13-26-16(3)29-20(19)17-9-7-6-8-10-17;1-4-29(16(2)15-31-22-27-13-18(14-28-22)23(3,24)25)21(30)20-19(11-8-12-26-20)17-9-6-5-7-10-17;1-5-29(14(3)12-32-19-16(22)10-15(11-25-19)21(4,23)24)20(31)18-17(7-6-13(2)28-18)30-26-8-9-27-30;1-5-28(15(3)13-31-18-9-7-16(12-24-18)21(4,22)23)20(30)17-8-6-14(2)27-19(17)29-25-10-11-26-29/h7-13,16H,6,14H2,1-5H3;6-13,15H,5,14H2,1-4H3;5-14,16H,4,15H2,1-3H3;6-11,14H,5,12H2,1-4H3;6-12,15H,5,13H2,1-4H3/t16-;15-;16-;14-;15-/m00000/s1.
What are the key properties of N-[(2S)-1-[[5-(1,1-difluoroethyl)-3-fluoro-2-pyridinyl]oxy]propan-2-yl]-N-ethyl-6-methyl-3-(triazol-2-yl)pyridine-2-carboxamide;N-[(2S)-1-[[5-(1,1-difluoroethyl)-2-pyridinyl]oxy]propan-2-yl]-N-ethyl-5-methyl-3-(1-methylpyrazol-3-yl)pyridine-2-carboxamide;N-[(2S)-1-[[5-(1,1-difluoroethyl)-2-pyridinyl]oxy]propan-2-yl]-N-ethyl-6-methyl-2-(triazol-2-yl)pyridine-3-carboxamide;N-[(2S)-1-[5-(1,1-difluoroethyl)pyrimidin-2-yl]oxypropan-2-yl]-N-ethyl-2-methyl-4-phenylpyrimidine-5-carboxamide;N-[(2S)-1-[5-(1,1-difluoroethyl)pyrimidin-2-yl]oxypropan-2-yl]-N-ethyl-3-phenylpyridine-2-carboxamide?
N-[(2S)-1-[[5-(1,1-difluoroethyl)-3-fluoro-2-pyridinyl]oxy]propan-2-yl]-N-ethyl-6-methyl-3-(triazol-2-yl)pyridine-2-carboxamide;N-[(2S)-1-[[5-(1,1-difluoroethyl)-2-pyridinyl]oxy]propan-2-yl]-N-ethyl-5-methyl-3-(1-methylpyrazol-3-yl)pyridine-2-carboxamide;N-[(2S)-1-[[5-(1,1-difluoroethyl)-2-pyridinyl]oxy]propan-2-yl]-N-ethyl-6-methyl-2-(triazol-2-yl)pyridine-3-carboxamide;N-[(2S)-1-[5-(1,1-difluoroethyl)pyrimidin-2-yl]oxypropan-2-yl]-N-ethyl-2-methyl-4-phenylpyrimidine-5-carboxamide;N-[(2S)-1-[5-(1,1-difluoroethyl)pyrimidin-2-yl]oxypropan-2-yl]-N-ethyl-3-phenylpyridine-2-carboxamide has a molecular weight of 2190.35 g/mol, XLogP of 20.04, 40 rotatable bonds, 0 hydrogen bond donors, and 31 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-[[5-(1,1-difluoroethyl)-3-fluoro-2-pyridinyl]oxy]propan-2-yl]-N-ethyl-6-methyl-3-(triazol-2-yl)pyridine-2-carboxamide;N-[(2S)-1-[[5-(1,1-difluoroethyl)-2-pyridinyl]oxy]propan-2-yl]-N-ethyl-5-methyl-3-(1-methylpyrazol-3-yl)pyridine-2-carboxamide;N-[(2S)-1-[[5-(1,1-difluoroethyl)-2-pyridinyl]oxy]propan-2-yl]-N-ethyl-6-methyl-2-(triazol-2-yl)pyridine-3-carboxamide;N-[(2S)-1-[5-(1,1-difluoroethyl)pyrimidin-2-yl]oxypropan-2-yl]-N-ethyl-2-methyl-4-phenylpyrimidine-5-carboxamide;N-[(2S)-1-[5-(1,1-difluoroethyl)pyrimidin-2-yl]oxypropan-2-yl]-N-ethyl-3-phenylpyridine-2-carboxamide is sourced from PubChem (CID 159451087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).