5-chloro-N-[(2S)-4-[5-(1,1-difluoroethyl)pyrazin-2-yl]butan-2-yl]-N-ethyl-2-(triazol-2-yl)pyridine-3-carboxamide;5-chloro-N-[(2S)-4-[5-(1,1-difluoroethyl)pyrimidin-2-yl]butan-2-yl]-N-ethyl-2-(triazol-2-yl)benzamide;N-[(2S)-4-[5-(1,1-difluoroethyl)pyrimidin-2-yl]butan-2-yl]-N-ethyl-3,4-difluoro-2-pyrimidin-2-ylbenzamide;N-[(2S)-4-[5-(1,1-difluoroethyl)pyrimidin-2-yl]butan-2-yl]-3-fluoro-N-methyl-2-pyrimidin-2-ylbenzamide;N-ethyl-5-fluoro-2-(triazol-2-yl)-N-[(2S)-4-[5-(trifluoromethyl)-2-pyridinyl]butan-2-yl]pyridine-3-carboxamide;N-ethyl-2-methyl-N-[(2S)-4-(5-methylpyrimidin-2-yl)butan-2-yl]-4-phenylpyrimidine-5-carboxamide

C129H137Cl2F15N34O6 — CID 159427942

IUPAC5-chloro-N-[(2S)-4-[5-(1,1-difluoroethyl)pyrazin-2-yl]butan-2-yl]-N-ethyl-2-(triazol-2-yl)pyridine-3-carboxamide;5-chloro-N-[(2S)-4-[5-(1,1-difluoroethyl)pyrimidin-2-yl]butan-2-yl]-N-ethyl-2-(triazol-2-yl)benzamide;N-[(2S)-4-[5-(1,1-difluoroethyl)pyrimidin-2-yl]butan-2-yl]-N-ethyl-3,4-difluoro-2-pyrimidin-2-ylbenzamide;N-[(2S)-4-[5-(1,1-difluoroethyl)pyrimidin-2-yl]butan-2-yl]-3-fluoro-N-methyl-2-pyrimidin-2-ylbenzamide;N-ethyl-5-fluoro-2-(triazol-2-yl)-N-[(2S)-4-[5-(trifluoromethyl)-2-pyridinyl]butan-2-yl]pyridine-3-carboxamide;N-ethyl-2-methyl-N-[(2S)-4-(5-methylpyrimidin-2-yl)butan-2-yl]-4-phenylpyrimidine-5-carboxamide
SMILESCCN(C(=O)c1cc(Cl)ccc1-n1nccn1)[C@@H](C)CCc1ncc(C(C)(F)F)cn1.CCN(C(=O)c1cc(Cl)cnc1-n1nccn1)[C@@H](C)CCc1cnc(C(C)(F)F)cn1.CCN(C(=O)c1cc(F)cnc1-n1nccn1)[C@@H](C)CCc1ccc(C(F)(F)F)cn1.CCN(C(=O)c1ccc(F)c(F)c1-c1ncccn1)[C@@H](C)CCc1ncc(C(C)(F)F)cn1.CCN(C(=O)c1cnc(C)nc1-c1ccccc1)[C@@H](C)CCc1ncc(C)cn1.C[C@@H](CCc1ncc(C(C)(F)F)cn1)N(C)C(=O)c1cccc(F)c1-c1ncccn1
InChIInChI=1S/C23H23F4N5O.C23H27N5O.C22H22F3N5O.C21H23ClF2N6O.C20H22ClF2N7O.C20H20F4N6O/c1-4-32(14(2)6-9-18-30-12-15(13-31-18)23(3,26)27)22(33)16-7-8-17(24)20(25)19(16)21-28-10-5-11-29-21;1-5-28(17(3)11-12-21-25-13-16(2)14-26-21)23(29)20-15-24-18(4)27-22(20)19-9-7-6-8-10-19;1-14(8-9-18-28-12-15(13-29-18)22(2,24)25)30(3)21(31)16-6-4-7-17(23)19(16)20-26-10-5-11-27-20;1-4-29(14(2)5-8-19-25-12-15(13-26-19)21(3,23)24)20(31)17-11-16(22)6-7-18(17)30-27-9-10-28-30;1-4-29(13(2)5-6-15-11-25-17(12-24-15)20(3,22)23)19(31)16-9-14(21)10-26-18(16)30-27-7-8-28-30;1-3-29(13(2)4-6-16-7-5-14(11-25-16)20(22,23)24)19(31)17-10-15(21)12-26-18(17)30-27-8-9-28-30/h5,7-8,10-14H,4,6,9H2,1-3H3;6-10,13-15,17H,5,11-12H2,1-4H3;4-7,10-14H,8-9H2,1-3H3;6-7,9-14H,4-5,8H2,1-3H3;7-13H,4-6H2,1-3H3;5,7-13H,3-4,6H2,1-2H3/t14-;17-;2*14-;2*13-/m000000/s1
InChIKeyLQPNFAYGCDLGBI-CFSCFJRTSA-N
MW2615.62 g/mol
LogP24.82
Rot. Bonds45

About 5-chloro-N-[(2S)-4-[5-(1,1-difluoroethyl)pyrazin-2-yl]butan-2-yl]-N-ethyl-2-(triazol-2-yl)pyridine-3-carboxamide;5-chloro-N-[(2S)-4-[5-(1,1-difluoroethyl)pyrimidin-2-yl]butan-2-yl]-N-ethyl-2-(triazol-2-yl)benzamide;N-[(2S)-4-[5-(1,1-difluoroethyl)pyrimidin-2-yl]butan-2-yl]-N-ethyl-3,4-difluoro-2-pyrimidin-2-ylbenzamide;N-[(2S)-4-[5-(1,1-difluoroethyl)pyrimidin-2-yl]butan-2-yl]-3-fluoro-N-methyl-2-pyrimidin-2-ylbenzamide;N-ethyl-5-fluoro-2-(triazol-2-yl)-N-[(2S)-4-[5-(trifluoromethyl)-2-pyridinyl]butan-2-yl]pyridine-3-carboxamide;N-ethyl-2-methyl-N-[(2S)-4-(5-methylpyrimidin-2-yl)butan-2-yl]-4-phenylpyrimidine-5-carboxamide

5-chloro-N-[(2S)-4-[5-(1,1-difluoroethyl)pyrazin-2-yl]butan-2-yl]-N-ethyl-2-(triazol-2-yl)pyridine-3-carboxamide;5-chloro-N-[(2S)-4-[5-(1,1-difluoroethyl)pyrimidin-2-yl]butan-2-yl]-N-ethyl-2-(triazol-2-yl)benzamide;N-[(2S)-4-[5-(1,1-difluoroethyl)pyrimidin-2-yl]butan-2-yl]-N-ethyl-3,4-difluoro-2-pyrimidin-2-ylbenzamide;N-[(2S)-4-[5-(1,1-difluoroethyl)pyrimidin-2-yl]butan-2-yl]-3-fluoro-N-methyl-2-pyrimidin-2-ylbenzamide;N-ethyl-5-fluoro-2-(triazol-2-yl)-N-[(2S)-4-[5-(trifluoromethyl)-2-pyridinyl]butan-2-yl]pyridine-3-carboxamide;N-ethyl-2-methyl-N-[(2S)-4-(5-methylpyrimidin-2-yl)butan-2-yl]-4-phenylpyrimidine-5-carboxamide (PubChem CID 159427942) has the molecular formula C129H137Cl2F15N34O6 and a molecular weight of 2615.62 g/mol. Its IUPAC name is 5-chloro-N-[(2S)-4-[5-(1,1-difluoroethyl)pyrazin-2-yl]butan-2-yl]-N-ethyl-2-(triazol-2-yl)pyridine-3-carboxamide;5-chloro-N-[(2S)-4-[5-(1,1-difluoroethyl)pyrimidin-2-yl]butan-2-yl]-N-ethyl-2-(triazol-2-yl)benzamide;N-[(2S)-4-[5-(1,1-difluoroethyl)pyrimidin-2-yl]butan-2-yl]-N-ethyl-3,4-difluoro-2-pyrimidin-2-ylbenzamide;N-[(2S)-4-[5-(1,1-difluoroethyl)pyrimidin-2-yl]butan-2-yl]-3-fluoro-N-methyl-2-pyrimidin-2-ylbenzamide;N-ethyl-5-fluoro-2-(triazol-2-yl)-N-[(2S)-4-[5-(trifluoromethyl)-2-pyridinyl]butan-2-yl]pyridine-3-carboxamide;N-ethyl-2-methyl-N-[(2S)-4-(5-methylpyrimidin-2-yl)butan-2-yl]-4-phenylpyrimidine-5-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[(2S)-4-[5-(1,1-difluoroethyl)pyrazin-2-yl]butan-2-yl]-N-ethyl-2-(triazol-2-yl)pyridine-3-carboxamide;5-chloro-N-[(2S)-4-[5-(1,1-difluoroethyl)pyrimidin-2-yl]butan-2-yl]-N-ethyl-2-(triazol-2-yl)benzamide;N-[(2S)-4-[5-(1,1-difluoroethyl)pyrimidin-2-yl]butan-2-yl]-N-ethyl-3,4-difluoro-2-pyrimidin-2-ylbenzamide;N-[(2S)-4-[5-(1,1-difluoroethyl)pyrimidin-2-yl]butan-2-yl]-3-fluoro-N-methyl-2-pyrimidin-2-ylbenzamide;N-ethyl-5-fluoro-2-(triazol-2-yl)-N-[(2S)-4-[5-(trifluoromethyl)-2-pyridinyl]butan-2-yl]pyridine-3-carboxamide;N-ethyl-2-methyl-N-[(2S)-4-(5-methylpyrimidin-2-yl)butan-2-yl]-4-phenylpyrimidine-5-carboxamide
PubChem CID159427942
Molecular FormulaC129H137Cl2F15N34O6
Molecular Weight2615.62 g/mol
Exact Mass2613.06
IUPAC Name5-chloro-N-[(2S)-4-[5-(1,1-difluoroethyl)pyrazin-2-yl]butan-2-yl]-N-ethyl-2-(triazol-2-yl)pyridine-3-carboxamide;5-chloro-N-[(2S)-4-[5-(1,1-difluoroethyl)pyrimidin-2-yl]butan-2-yl]-N-ethyl-2-(triazol-2-yl)benzamide;N-[(2S)-4-[5-(1,1-difluoroethyl)pyrimidin-2-yl]butan-2-yl]-N-ethyl-3,4-difluoro-2-pyrimidin-2-ylbenzamide;N-[(2S)-4-[5-(1,1-difluoroethyl)pyrimidin-2-yl]butan-2-yl]-3-fluoro-N-methyl-2-pyrimidin-2-ylbenzamide;N-ethyl-5-fluoro-2-(triazol-2-yl)-N-[(2S)-4-[5-(trifluoromethyl)-2-pyridinyl]butan-2-yl]pyridine-3-carboxamide;N-ethyl-2-methyl-N-[(2S)-4-(5-methylpyrimidin-2-yl)butan-2-yl]-4-phenylpyrimidine-5-carboxamide
SMILESCCN(C(=O)c1cc(Cl)ccc1-n1nccn1)[C@@H](C)CCc1ncc(C(C)(F)F)cn1.CCN(C(=O)c1cc(Cl)cnc1-n1nccn1)[C@@H](C)CCc1cnc(C(C)(F)F)cn1.CCN(C(=O)c1cc(F)cnc1-n1nccn1)[C@@H](C)CCc1ccc(C(F)(F)F)cn1.CCN(C(=O)c1ccc(F)c(F)c1-c1ncccn1)[C@@H](C)CCc1ncc(C(C)(F)F)cn1.CCN(C(=O)c1cnc(C)nc1-c1ccccc1)[C@@H](C)CCc1ncc(C)cn1.C[C@@H](CCc1ncc(C(C)(F)F)cn1)N(C)C(=O)c1cccc(F)c1-c1ncccn1
InChIInChI=1S/C23H23F4N5O.C23H27N5O.C22H22F3N5O.C21H23ClF2N6O.C20H22ClF2N7O.C20H20F4N6O/c1-4-32(14(2)6-9-18-30-12-15(13-31-18)23(3,26)27)22(33)16-7-8-17(24)20(25)19(16)21-28-10-5-11-29-21;1-5-28(17(3)11-12-21-25-13-16(2)14-26-21)23(29)20-15-24-18(4)27-22(20)19-9-7-6-8-10-19;1-14(8-9-18-28-12-15(13-29-18)22(2,24)25)30(3)21(31)16-6-4-7-17(23)19(16)20-26-10-5-11-27-20;1-4-29(14(2)5-8-19-25-12-15(13-26-19)21(3,23)24)20(31)17-11-16(22)6-7-18(17)30-27-9-10-28-30;1-4-29(13(2)5-6-15-11-25-17(12-24-15)20(3,22)23)19(31)16-9-14(21)10-26-18(16)30-27-7-8-28-30;1-3-29(13(2)4-6-16-7-5-14(11-25-16)20(22,23)24)19(31)17-10-15(21)12-26-18(17)30-27-8-9-28-30/h5,7-8,10-14H,4,6,9H2,1-3H3;6-10,13-15,17H,5,11-12H2,1-4H3;4-7,10-14H,8-9H2,1-3H3;6-7,9-14H,4-5,8H2,1-3H3;7-13H,4-6H2,1-3H3;5,7-13H,3-4,6H2,1-2H3/t14-;17-;2*14-;2*13-/m000000/s1
InChIKeyLQPNFAYGCDLGBI-CFSCFJRTSA-N
XLogP24.82
TPSA458.90 Ų
H-Bond Donors
H-Bond Acceptors34
Rotatable Bonds45
Heavy Atoms186
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002615.62
LogP ≤ 524.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1034

Analyze 5-chloro-N-[(2S)-4-[5-(1,1-difluoroethyl)pyrazin-2-yl]butan-2-yl]-N-ethyl-2-(triazol-2-yl)pyridine-3-carboxamide;5-chloro-N-[(2S)-4-[5-(1,1-difluoroethyl)pyrimidin-2-yl]butan-2-yl]-N-ethyl-2-(triazol-2-yl)benzamide;N-[(2S)-4-[5-(1,1-difluoroethyl)pyrimidin-2-yl]butan-2-yl]-N-ethyl-3,4-difluoro-2-pyrimidin-2-ylbenzamide;N-[(2S)-4-[5-(1,1-difluoroethyl)pyrimidin-2-yl]butan-2-yl]-3-fluoro-N-methyl-2-pyrimidin-2-ylbenzamide;N-ethyl-5-fluoro-2-(triazol-2-yl)-N-[(2S)-4-[5-(trifluoromethyl)-2-pyridinyl]butan-2-yl]pyridine-3-carboxamide;N-ethyl-2-methyl-N-[(2S)-4-(5-methylpyrimidin-2-yl)butan-2-yl]-4-phenylpyrimidine-5-carboxamide with MolForge

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Related Compounds

N-[2-[(1-benzylpyrrolidin-3-yl)carbamoyl]-4-chloro-6-methylphenyl]-1-(3-chloro-2-pyridinyl)-3-[[5-(1,1,2,2,2-pentafluoroethyl)tetrazol-2-yl]methyl]pyrazole-5-carboxamide
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N-[4-chloro-2-methyl-6-[(6-phenylpyridin-2-yl)methylcarbamoyl]phenyl]-2-(3-chloropyridin-2-yl)-5-[[5-(trifluoromethyl)tetrazol-2-yl]methyl]pyrazole-3-carboxamide
CID 68032425
[3-chloro-2-(trifluoromethyl)-4-pyridinyl]-[(4R)-1-(5-fluoropyrimidin-2-yl)-4-methyl-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]methanone;[3-chloro-4-(trifluoromethyl)-2-pyridinyl]-[(4R)-4-methyl-1-pyrazin-2-yl-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]methanone;[4-chloro-5-(trifluoromethyl)-3-pyridinyl]-[(4R)-4-methyl-1-pyrazin-2-yl-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]methanone
CID 90408817
[3-[[2-[2-[2-[[(5-Chloropyridin-2-yl)amino]methyl]-3-methylpiperidine-1-carbonyl]-4-fluorophenyl]triazol-4-yl]methyl]-2-[[[5-(trifluoromethyl)pyrimidin-2-yl]amino]methyl]piperidin-1-yl]-(5-methyl-2-pyrimidin-2-ylphenyl)methanone
CID 123200048
[5-Fluoro-2-[4-[[1-[6-fluoro-3-methyl-2-(triazol-2-yl)benzoyl]-2-[[[5-(trifluoromethyl)-2-pyridinyl]amino]methyl]piperidin-3-yl]methyl]pyrimidin-2-yl]-3-methylphenyl]-[3-methyl-2-[[[5-(trifluoromethyl)pyrimidin-2-yl]amino]methyl]piperidin-1-yl]methanone
CID 123753847
N-[4-chloro-2-[1-[3-chloro-2-[5-[[4-chloro-2-(ethylcarbamoyl)-6-methylphenyl]carbamoyl]-3-[[5-(trifluoromethyl)tetrazol-1-yl]methyl]pyrazol-1-yl]pyridin-4-yl]propan-2-ylcarbamoyl]-6-methylphenyl]-2-(3-chloropyridin-2-yl)-5-[[5-(trifluoromethyl)tetrazol-1-yl]methyl]pyrazole-3-carboxamide
CID 126603411
(2-chloro-4-fluorophenyl)-[(1R,9S)-4-methyl-6-(1-methylpyrazol-4-yl)-3,5,13-triazatricyclo[7.3.1.02,7]trideca-2,4,6-trien-13-yl]methanone;(4-chloro-2-fluorophenyl)-[(1R,9S)-4-methyl-6-(1-methylpyrazol-4-yl)-3,5,13-triazatricyclo[7.3.1.02,7]trideca-2,4,6-trien-13-yl]methanone;[3-fluoro-2-(trifluoromethyl)-4-pyridinyl]-[(1R,9S)-4-methyl-6-(1-methylpyrazol-4-yl)-3,5,13-triazatricyclo[7.3.1.02,7]trideca-2,4,6-trien-13-yl]methanone
CID 132165055
N-[2-(tert-butylcarbamoyl)-4-chloro-6-methylphenyl]-1-(3-chloro-2-pyridinyl)-3-[[5-(trifluoromethyl)tetrazol-1-yl]methyl]pyrazole-5-carboxamide;N-[4-chloro-2-(cyclopropylcarbamoyl)-6-methylphenyl]-1-(3-chloro-2-pyridinyl)-3-[[5-(trifluoromethyl)tetrazol-2-yl]methyl]pyrazole-5-carboxamide;N-[4-chloro-2-(ethylcarbamoyl)-6-methylphenyl]-1-(3-chloro-2-pyridinyl)-3-[[5-(trifluoromethyl)tetrazol-1-yl]methyl]pyrazole-5-carboxamide;N-[4-chloro-2-methyl-6-(methylcarbamoyl)phenyl]-1-(3-chloro-2-pyridinyl)-3-[[5-(trifluoromethyl)tetrazol-1-yl]methyl]pyrazole-5-carboxamide
CID 157094518
(5-chloro-1H-indazol-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;(5,6-difluoro-1H-indazol-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;1H-imidazol-5-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;(5-methyl-1H-indazol-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;(7-methyl-2H-indazol-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;2H-pyrazolo[3,4-b]pyridin-3-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;1H-pyrrolo[3,2-b]pyridin-2-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;1H-pyrrolo[2,3-c]pyridin-2-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone
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1-(4-chlorophenyl)-5-methyl-N-[(1S)-5-(4-methylpiperidin-1-yl)-5-oxo-1-[3-(trifluoromethyl)phenyl]pentyl]pyrazole-4-carboxamide;1-(4-chlorophenyl)-5-methyl-N-[(1S)-5-(pyridin-2-ylamino)-1-[3-(trifluoromethyl)phenyl]pentyl]pyrazole-4-carboxamide;1-(4-chlorophenyl)-5-methyl-N-[(1S)-1-[6-(trifluoromethyl)-2-pyridinyl]butyl]pyrazole-4-carboxamide
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(4,5-Dimethyl-3-pyrimidin-2-yl-2-pyridinyl)-[2-[[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]methanone;(3-fluoro-6-methyl-2-pyrimidin-2-ylphenyl)-[2-[[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]methanone;[3-fluoro-4-methyl-2-(triazol-2-yl)phenyl]-[2-[[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]methanone
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(6-chloro-2-methylimidazo[1,2-b]pyridazin-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;imidazo[1,2-b]pyridazin-6-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;1H-indol-3-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone
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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[(2S)-4-[5-(1,1-difluoroethyl)pyrazin-2-yl]butan-2-yl]-N-ethyl-2-(triazol-2-yl)pyridine-3-carboxamide;5-chloro-N-[(2S)-4-[5-(1,1-difluoroethyl)pyrimidin-2-yl]butan-2-yl]-N-ethyl-2-(triazol-2-yl)benzamide;N-[(2S)-4-[5-(1,1-difluoroethyl)pyrimidin-2-yl]butan-2-yl]-N-ethyl-3,4-difluoro-2-pyrimidin-2-ylbenzamide;N-[(2S)-4-[5-(1,1-difluoroethyl)pyrimidin-2-yl]butan-2-yl]-3-fluoro-N-methyl-2-pyrimidin-2-ylbenzamide;N-ethyl-5-fluoro-2-(triazol-2-yl)-N-[(2S)-4-[5-(trifluoromethyl)-2-pyridinyl]butan-2-yl]pyridine-3-carboxamide;N-ethyl-2-methyl-N-[(2S)-4-(5-methylpyrimidin-2-yl)butan-2-yl]-4-phenylpyrimidine-5-carboxamide?
The IUPAC name of 5-chloro-N-[(2S)-4-[5-(1,1-difluoroethyl)pyrazin-2-yl]butan-2-yl]-N-ethyl-2-(triazol-2-yl)pyridine-3-carboxamide;5-chloro-N-[(2S)-4-[5-(1,1-difluoroethyl)pyrimidin-2-yl]butan-2-yl]-N-ethyl-2-(triazol-2-yl)benzamide;N-[(2S)-4-[5-(1,1-difluoroethyl)pyrimidin-2-yl]butan-2-yl]-N-ethyl-3,4-difluoro-2-pyrimidin-2-ylbenzamide;N-[(2S)-4-[5-(1,1-difluoroethyl)pyrimidin-2-yl]butan-2-yl]-3-fluoro-N-methyl-2-pyrimidin-2-ylbenzamide;N-ethyl-5-fluoro-2-(triazol-2-yl)-N-[(2S)-4-[5-(trifluoromethyl)-2-pyridinyl]butan-2-yl]pyridine-3-carboxamide;N-ethyl-2-methyl-N-[(2S)-4-(5-methylpyrimidin-2-yl)butan-2-yl]-4-phenylpyrimidine-5-carboxamide (CID 159427942) is 5-chloro-N-[(2S)-4-[5-(1,1-difluoroethyl)pyrazin-2-yl]butan-2-yl]-N-ethyl-2-(triazol-2-yl)pyridine-3-carboxamide;5-chloro-N-[(2S)-4-[5-(1,1-difluoroethyl)pyrimidin-2-yl]butan-2-yl]-N-ethyl-2-(triazol-2-yl)benzamide;N-[(2S)-4-[5-(1,1-difluoroethyl)pyrimidin-2-yl]butan-2-yl]-N-ethyl-3,4-difluoro-2-pyrimidin-2-ylbenzamide;N-[(2S)-4-[5-(1,1-difluoroethyl)pyrimidin-2-yl]butan-2-yl]-3-fluoro-N-methyl-2-pyrimidin-2-ylbenzamide;N-ethyl-5-fluoro-2-(triazol-2-yl)-N-[(2S)-4-[5-(trifluoromethyl)-2-pyridinyl]butan-2-yl]pyridine-3-carboxamide;N-ethyl-2-methyl-N-[(2S)-4-(5-methylpyrimidin-2-yl)butan-2-yl]-4-phenylpyrimidine-5-carboxamide.
What is the SMILES notation for 5-chloro-N-[(2S)-4-[5-(1,1-difluoroethyl)pyrazin-2-yl]butan-2-yl]-N-ethyl-2-(triazol-2-yl)pyridine-3-carboxamide;5-chloro-N-[(2S)-4-[5-(1,1-difluoroethyl)pyrimidin-2-yl]butan-2-yl]-N-ethyl-2-(triazol-2-yl)benzamide;N-[(2S)-4-[5-(1,1-difluoroethyl)pyrimidin-2-yl]butan-2-yl]-N-ethyl-3,4-difluoro-2-pyrimidin-2-ylbenzamide;N-[(2S)-4-[5-(1,1-difluoroethyl)pyrimidin-2-yl]butan-2-yl]-3-fluoro-N-methyl-2-pyrimidin-2-ylbenzamide;N-ethyl-5-fluoro-2-(triazol-2-yl)-N-[(2S)-4-[5-(trifluoromethyl)-2-pyridinyl]butan-2-yl]pyridine-3-carboxamide;N-ethyl-2-methyl-N-[(2S)-4-(5-methylpyrimidin-2-yl)butan-2-yl]-4-phenylpyrimidine-5-carboxamide?
The canonical SMILES for 5-chloro-N-[(2S)-4-[5-(1,1-difluoroethyl)pyrazin-2-yl]butan-2-yl]-N-ethyl-2-(triazol-2-yl)pyridine-3-carboxamide;5-chloro-N-[(2S)-4-[5-(1,1-difluoroethyl)pyrimidin-2-yl]butan-2-yl]-N-ethyl-2-(triazol-2-yl)benzamide;N-[(2S)-4-[5-(1,1-difluoroethyl)pyrimidin-2-yl]butan-2-yl]-N-ethyl-3,4-difluoro-2-pyrimidin-2-ylbenzamide;N-[(2S)-4-[5-(1,1-difluoroethyl)pyrimidin-2-yl]butan-2-yl]-3-fluoro-N-methyl-2-pyrimidin-2-ylbenzamide;N-ethyl-5-fluoro-2-(triazol-2-yl)-N-[(2S)-4-[5-(trifluoromethyl)-2-pyridinyl]butan-2-yl]pyridine-3-carboxamide;N-ethyl-2-methyl-N-[(2S)-4-(5-methylpyrimidin-2-yl)butan-2-yl]-4-phenylpyrimidine-5-carboxamide is CCN(C(=O)c1cc(Cl)ccc1-n1nccn1)[C@@H](C)CCc1ncc(C(C)(F)F)cn1.CCN(C(=O)c1cc(Cl)cnc1-n1nccn1)[C@@H](C)CCc1cnc(C(C)(F)F)cn1.CCN(C(=O)c1cc(F)cnc1-n1nccn1)[C@@H](C)CCc1ccc(C(F)(F)F)cn1.CCN(C(=O)c1ccc(F)c(F)c1-c1ncccn1)[C@@H](C)CCc1ncc(C(C)(F)F)cn1.CCN(C(=O)c1cnc(C)nc1-c1ccccc1)[C@@H](C)CCc1ncc(C)cn1.C[C@@H](CCc1ncc(C(C)(F)F)cn1)N(C)C(=O)c1cccc(F)c1-c1ncccn1.
What is the InChIKey of 5-chloro-N-[(2S)-4-[5-(1,1-difluoroethyl)pyrazin-2-yl]butan-2-yl]-N-ethyl-2-(triazol-2-yl)pyridine-3-carboxamide;5-chloro-N-[(2S)-4-[5-(1,1-difluoroethyl)pyrimidin-2-yl]butan-2-yl]-N-ethyl-2-(triazol-2-yl)benzamide;N-[(2S)-4-[5-(1,1-difluoroethyl)pyrimidin-2-yl]butan-2-yl]-N-ethyl-3,4-difluoro-2-pyrimidin-2-ylbenzamide;N-[(2S)-4-[5-(1,1-difluoroethyl)pyrimidin-2-yl]butan-2-yl]-3-fluoro-N-methyl-2-pyrimidin-2-ylbenzamide;N-ethyl-5-fluoro-2-(triazol-2-yl)-N-[(2S)-4-[5-(trifluoromethyl)-2-pyridinyl]butan-2-yl]pyridine-3-carboxamide;N-ethyl-2-methyl-N-[(2S)-4-(5-methylpyrimidin-2-yl)butan-2-yl]-4-phenylpyrimidine-5-carboxamide?
The InChIKey is LQPNFAYGCDLGBI-CFSCFJRTSA-N. The full InChI is InChI=1S/C23H23F4N5O.C23H27N5O.C22H22F3N5O.C21H23ClF2N6O.C20H22ClF2N7O.C20H20F4N6O/c1-4-32(14(2)6-9-18-30-12-15(13-31-18)23(3,26)27)22(33)16-7-8-17(24)20(25)19(16)21-28-10-5-11-29-21;1-5-28(17(3)11-12-21-25-13-16(2)14-26-21)23(29)20-15-24-18(4)27-22(20)19-9-7-6-8-10-19;1-14(8-9-18-28-12-15(13-29-18)22(2,24)25)30(3)21(31)16-6-4-7-17(23)19(16)20-26-10-5-11-27-20;1-4-29(14(2)5-8-19-25-12-15(13-26-19)21(3,23)24)20(31)17-11-16(22)6-7-18(17)30-27-9-10-28-30;1-4-29(13(2)5-6-15-11-25-17(12-24-15)20(3,22)23)19(31)16-9-14(21)10-26-18(16)30-27-7-8-28-30;1-3-29(13(2)4-6-16-7-5-14(11-25-16)20(22,23)24)19(31)17-10-15(21)12-26-18(17)30-27-8-9-28-30/h5,7-8,10-14H,4,6,9H2,1-3H3;6-10,13-15,17H,5,11-12H2,1-4H3;4-7,10-14H,8-9H2,1-3H3;6-7,9-14H,4-5,8H2,1-3H3;7-13H,4-6H2,1-3H3;5,7-13H,3-4,6H2,1-2H3/t14-;17-;2*14-;2*13-/m000000/s1.
What are the key properties of 5-chloro-N-[(2S)-4-[5-(1,1-difluoroethyl)pyrazin-2-yl]butan-2-yl]-N-ethyl-2-(triazol-2-yl)pyridine-3-carboxamide;5-chloro-N-[(2S)-4-[5-(1,1-difluoroethyl)pyrimidin-2-yl]butan-2-yl]-N-ethyl-2-(triazol-2-yl)benzamide;N-[(2S)-4-[5-(1,1-difluoroethyl)pyrimidin-2-yl]butan-2-yl]-N-ethyl-3,4-difluoro-2-pyrimidin-2-ylbenzamide;N-[(2S)-4-[5-(1,1-difluoroethyl)pyrimidin-2-yl]butan-2-yl]-3-fluoro-N-methyl-2-pyrimidin-2-ylbenzamide;N-ethyl-5-fluoro-2-(triazol-2-yl)-N-[(2S)-4-[5-(trifluoromethyl)-2-pyridinyl]butan-2-yl]pyridine-3-carboxamide;N-ethyl-2-methyl-N-[(2S)-4-(5-methylpyrimidin-2-yl)butan-2-yl]-4-phenylpyrimidine-5-carboxamide?
5-chloro-N-[(2S)-4-[5-(1,1-difluoroethyl)pyrazin-2-yl]butan-2-yl]-N-ethyl-2-(triazol-2-yl)pyridine-3-carboxamide;5-chloro-N-[(2S)-4-[5-(1,1-difluoroethyl)pyrimidin-2-yl]butan-2-yl]-N-ethyl-2-(triazol-2-yl)benzamide;N-[(2S)-4-[5-(1,1-difluoroethyl)pyrimidin-2-yl]butan-2-yl]-N-ethyl-3,4-difluoro-2-pyrimidin-2-ylbenzamide;N-[(2S)-4-[5-(1,1-difluoroethyl)pyrimidin-2-yl]butan-2-yl]-3-fluoro-N-methyl-2-pyrimidin-2-ylbenzamide;N-ethyl-5-fluoro-2-(triazol-2-yl)-N-[(2S)-4-[5-(trifluoromethyl)-2-pyridinyl]butan-2-yl]pyridine-3-carboxamide;N-ethyl-2-methyl-N-[(2S)-4-(5-methylpyrimidin-2-yl)butan-2-yl]-4-phenylpyrimidine-5-carboxamide has a molecular weight of 2615.62 g/mol, XLogP of 24.82, 45 rotatable bonds, 0 hydrogen bond donors, and 34 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[(2S)-4-[5-(1,1-difluoroethyl)pyrazin-2-yl]butan-2-yl]-N-ethyl-2-(triazol-2-yl)pyridine-3-carboxamide;5-chloro-N-[(2S)-4-[5-(1,1-difluoroethyl)pyrimidin-2-yl]butan-2-yl]-N-ethyl-2-(triazol-2-yl)benzamide;N-[(2S)-4-[5-(1,1-difluoroethyl)pyrimidin-2-yl]butan-2-yl]-N-ethyl-3,4-difluoro-2-pyrimidin-2-ylbenzamide;N-[(2S)-4-[5-(1,1-difluoroethyl)pyrimidin-2-yl]butan-2-yl]-3-fluoro-N-methyl-2-pyrimidin-2-ylbenzamide;N-ethyl-5-fluoro-2-(triazol-2-yl)-N-[(2S)-4-[5-(trifluoromethyl)-2-pyridinyl]butan-2-yl]pyridine-3-carboxamide;N-ethyl-2-methyl-N-[(2S)-4-(5-methylpyrimidin-2-yl)butan-2-yl]-4-phenylpyrimidine-5-carboxamide is sourced from PubChem (CID 159427942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).