2-[4-[2-[(1-cyclopropyl-5-methylpyrazol-4-yl)methyl]pyrimidin-5-yl]-2-fluorophenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[2-fluoro-4-[2-[[1-(1-fluoroethyl)-3-methylpyrazol-4-yl]methyl]pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[2-fluoro-4-[2-[[1-(1-fluoroethyl)-5-methylpyrazol-4-yl]methyl]pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[2-fluoro-4-[2-[[3-methoxy-1-(2-methoxyethyl)pyrazol-4-yl]methyl]pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[2-fluoro-4-[2-[[3-(methoxymethyl)-1-methylpyrazol-4-yl]methyl]pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[2-fluoro-4-[2-[(2-methyl-1,3-dihydroisoindol-5-yl)methyl]pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[2-fluoro-4-[2-[(2-methylpyrazol-3-yl)methyl]pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide

C185H165F30N41O17 — CID 157079994

IUPAC2-[4-[2-[(1-cyclopropyl-5-methylpyrazol-4-yl)methyl]pyrimidin-5-yl]-2-fluorophenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[2-fluoro-4-[2-[[1-(1-fluoroethyl)-3-methylpyrazol-4-yl]methyl]pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[2-fluoro-4-[2-[[1-(1-fluoroethyl)-5-methylpyrazol-4-yl]methyl]pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[2-fluoro-4-[2-[[3-methoxy-1-(2-methoxyethyl)pyrazol-4-yl]methyl]pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[2-fluoro-4-[2-[[3-(methoxymethyl)-1-methylpyrazol-4-yl]methyl]pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[2-fluoro-4-[2-[(2-methyl-1,3-dihydroisoindol-5-yl)methyl]pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[2-fluoro-4-[2-[(2-methylpyrazol-3-yl)methyl]pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide
SMILESCN1Cc2ccc(Cc3ncc(-c4ccc(CC(=O)Nc5cc(C6(C(F)(F)F)CC6)on5)c(F)c4)cn3)cc2C1.COCCn1cc(Cc2ncc(-c3ccc(CC(=O)Nc4cc(C5(C(F)(F)F)CC5)on4)c(F)c3)cn2)c(OC)n1.COCc1nn(C)cc1Cc1ncc(-c2ccc(CC(=O)Nc3cc(C4(C(F)(F)F)CC4)on3)c(F)c2)cn1.Cc1c(Cc2ncc(-c3ccc(CC(=O)Nc4cc(C5(C(F)(F)F)CC5)on4)c(F)c3)cn2)cnn1C(C)F.Cc1c(Cc2ncc(-c3ccc(CC(=O)Nc4cc(C5(C(F)(F)F)CC5)on4)c(F)c3)cn2)cnn1C1CC1.Cc1nn(C(C)F)cc1Cc1ncc(-c2ccc(CC(=O)Nc3cc(C4(C(F)(F)F)CC4)on3)c(F)c2)cn1.Cn1nccc1Cc1ncc(-c2ccc(CC(=O)Nc3cc(C4(C(F)(F)F)CC4)on3)c(F)c2)cn1
InChIInChI=1S/C29H25F4N5O2.C27H26F4N6O4.C27H24F4N6O2.2C26H23F5N6O2.C26H24F4N6O3.C24H20F4N6O2/c1-38-15-20-3-2-17(8-21(20)16-38)9-25-34-13-22(14-35-25)18-4-5-19(23(30)10-18)11-27(39)36-26-12-24(40-37-26)28(6-7-28)29(31,32)33;1-39-8-7-37-15-18(25(35-37)40-2)10-22-32-13-19(14-33-22)16-3-4-17(20(28)9-16)11-24(38)34-23-12-21(41-36-23)26(5-6-26)27(29,30)31;1-15-18(14-34-37(15)20-4-5-20)9-23-32-12-19(13-33-23)16-2-3-17(21(28)8-16)10-25(38)35-24-11-22(39-36-24)26(6-7-26)27(29,30)31;1-14-18(13-37(35-14)15(2)27)8-22-32-11-19(12-33-22)16-3-4-17(20(28)7-16)9-24(38)34-23-10-21(39-36-23)25(5-6-25)26(29,30)31;1-14-18(13-34-37(14)15(2)27)8-22-32-11-19(12-33-22)16-3-4-17(20(28)7-16)9-24(38)35-23-10-21(39-36-23)25(5-6-25)26(29,30)31;1-36-13-17(20(34-36)14-38-2)8-22-31-11-18(12-32-22)15-3-4-16(19(27)7-15)9-24(37)33-23-10-21(39-35-23)25(5-6-25)26(28,29)30;1-34-17(4-7-31-34)10-20-29-12-16(13-30-20)14-2-3-15(18(25)8-14)9-22(35)32-21-11-19(36-33-21)23(5-6-23)24(26,27)28/h2-5,8,10,12-14H,6-7,9,11,15-16H2,1H3,(H,36,37,39);3-4,9,12-15H,5-8,10-11H2,1-2H3,(H,34,36,38);2-3,8,11-14,20H,4-7,9-10H2,1H3,(H,35,36,38);3-4,7,10-13,15H,5-6,8-9H2,1-2H3,(H,34,36,38);3-4,7,10-13,15H,5-6,8-9H2,1-2H3,(H,35,36,38);3-4,7,10-13H,5-6,8-9,14H2,1-2H3,(H,33,35,37);2-4,7-8,11-13H,5-6,9-10H2,1H3,(H,32,33,35)
InChIKeyADKRJJJIDNLHQY-UHFFFAOYSA-N
MW3804.56 g/mol
LogP35.69
Rot. Bonds58

About 2-[4-[2-[(1-cyclopropyl-5-methylpyrazol-4-yl)methyl]pyrimidin-5-yl]-2-fluorophenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[2-fluoro-4-[2-[[1-(1-fluoroethyl)-3-methylpyrazol-4-yl]methyl]pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[2-fluoro-4-[2-[[1-(1-fluoroethyl)-5-methylpyrazol-4-yl]methyl]pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[2-fluoro-4-[2-[[3-methoxy-1-(2-methoxyethyl)pyrazol-4-yl]methyl]pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[2-fluoro-4-[2-[[3-(methoxymethyl)-1-methylpyrazol-4-yl]methyl]pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[2-fluoro-4-[2-[(2-methyl-1,3-dihydroisoindol-5-yl)methyl]pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[2-fluoro-4-[2-[(2-methylpyrazol-3-yl)methyl]pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide

2-[4-[2-[(1-cyclopropyl-5-methylpyrazol-4-yl)methyl]pyrimidin-5-yl]-2-fluorophenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[2-fluoro-4-[2-[[1-(1-fluoroethyl)-3-methylpyrazol-4-yl]methyl]pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[2-fluoro-4-[2-[[1-(1-fluoroethyl)-5-methylpyrazol-4-yl]methyl]pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[2-fluoro-4-[2-[[3-methoxy-1-(2-methoxyethyl)pyrazol-4-yl]methyl]pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[2-fluoro-4-[2-[[3-(methoxymethyl)-1-methylpyrazol-4-yl]methyl]pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[2-fluoro-4-[2-[(2-methyl-1,3-dihydroisoindol-5-yl)methyl]pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[2-fluoro-4-[2-[(2-methylpyrazol-3-yl)methyl]pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide (PubChem CID 157079994) has the molecular formula C185H165F30N41O17 and a molecular weight of 3804.56 g/mol. Its IUPAC name is 2-[4-[2-[(1-cyclopropyl-5-methylpyrazol-4-yl)methyl]pyrimidin-5-yl]-2-fluorophenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[2-fluoro-4-[2-[[1-(1-fluoroethyl)-3-methylpyrazol-4-yl]methyl]pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[2-fluoro-4-[2-[[1-(1-fluoroethyl)-5-methylpyrazol-4-yl]methyl]pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[2-fluoro-4-[2-[[3-methoxy-1-(2-methoxyethyl)pyrazol-4-yl]methyl]pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[2-fluoro-4-[2-[[3-(methoxymethyl)-1-methylpyrazol-4-yl]methyl]pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[2-fluoro-4-[2-[(2-methyl-1,3-dihydroisoindol-5-yl)methyl]pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[2-fluoro-4-[2-[(2-methylpyrazol-3-yl)methyl]pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide.

Molecular Properties

Compound Name2-[4-[2-[(1-cyclopropyl-5-methylpyrazol-4-yl)methyl]pyrimidin-5-yl]-2-fluorophenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[2-fluoro-4-[2-[[1-(1-fluoroethyl)-3-methylpyrazol-4-yl]methyl]pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[2-fluoro-4-[2-[[1-(1-fluoroethyl)-5-methylpyrazol-4-yl]methyl]pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[2-fluoro-4-[2-[[3-methoxy-1-(2-methoxyethyl)pyrazol-4-yl]methyl]pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[2-fluoro-4-[2-[[3-(methoxymethyl)-1-methylpyrazol-4-yl]methyl]pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[2-fluoro-4-[2-[(2-methyl-1,3-dihydroisoindol-5-yl)methyl]pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[2-fluoro-4-[2-[(2-methylpyrazol-3-yl)methyl]pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide
PubChem CID157079994
Molecular FormulaC185H165F30N41O17
Molecular Weight3804.56 g/mol
Exact Mass3802.28
IUPAC Name2-[4-[2-[(1-cyclopropyl-5-methylpyrazol-4-yl)methyl]pyrimidin-5-yl]-2-fluorophenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[2-fluoro-4-[2-[[1-(1-fluoroethyl)-3-methylpyrazol-4-yl]methyl]pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[2-fluoro-4-[2-[[1-(1-fluoroethyl)-5-methylpyrazol-4-yl]methyl]pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[2-fluoro-4-[2-[[3-methoxy-1-(2-methoxyethyl)pyrazol-4-yl]methyl]pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[2-fluoro-4-[2-[[3-(methoxymethyl)-1-methylpyrazol-4-yl]methyl]pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[2-fluoro-4-[2-[(2-methyl-1,3-dihydroisoindol-5-yl)methyl]pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[2-fluoro-4-[2-[(2-methylpyrazol-3-yl)methyl]pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide
SMILESCN1Cc2ccc(Cc3ncc(-c4ccc(CC(=O)Nc5cc(C6(C(F)(F)F)CC6)on5)c(F)c4)cn3)cc2C1.COCCn1cc(Cc2ncc(-c3ccc(CC(=O)Nc4cc(C5(C(F)(F)F)CC5)on4)c(F)c3)cn2)c(OC)n1.COCc1nn(C)cc1Cc1ncc(-c2ccc(CC(=O)Nc3cc(C4(C(F)(F)F)CC4)on3)c(F)c2)cn1.Cc1c(Cc2ncc(-c3ccc(CC(=O)Nc4cc(C5(C(F)(F)F)CC5)on4)c(F)c3)cn2)cnn1C(C)F.Cc1c(Cc2ncc(-c3ccc(CC(=O)Nc4cc(C5(C(F)(F)F)CC5)on4)c(F)c3)cn2)cnn1C1CC1.Cc1nn(C(C)F)cc1Cc1ncc(-c2ccc(CC(=O)Nc3cc(C4(C(F)(F)F)CC4)on3)c(F)c2)cn1.Cn1nccc1Cc1ncc(-c2ccc(CC(=O)Nc3cc(C4(C(F)(F)F)CC4)on3)c(F)c2)cn1
InChIInChI=1S/C29H25F4N5O2.C27H26F4N6O4.C27H24F4N6O2.2C26H23F5N6O2.C26H24F4N6O3.C24H20F4N6O2/c1-38-15-20-3-2-17(8-21(20)16-38)9-25-34-13-22(14-35-25)18-4-5-19(23(30)10-18)11-27(39)36-26-12-24(40-37-26)28(6-7-28)29(31,32)33;1-39-8-7-37-15-18(25(35-37)40-2)10-22-32-13-19(14-33-22)16-3-4-17(20(28)9-16)11-24(38)34-23-12-21(41-36-23)26(5-6-26)27(29,30)31;1-15-18(14-34-37(15)20-4-5-20)9-23-32-12-19(13-33-23)16-2-3-17(21(28)8-16)10-25(38)35-24-11-22(39-36-24)26(6-7-26)27(29,30)31;1-14-18(13-37(35-14)15(2)27)8-22-32-11-19(12-33-22)16-3-4-17(20(28)7-16)9-24(38)34-23-10-21(39-36-23)25(5-6-25)26(29,30)31;1-14-18(13-34-37(14)15(2)27)8-22-32-11-19(12-33-22)16-3-4-17(20(28)7-16)9-24(38)35-23-10-21(39-36-23)25(5-6-25)26(29,30)31;1-36-13-17(20(34-36)14-38-2)8-22-31-11-18(12-32-22)15-3-4-16(19(27)7-15)9-24(37)33-23-10-21(39-35-23)25(5-6-25)26(28,29)30;1-34-17(4-7-31-34)10-20-29-12-16(13-30-20)14-2-3-15(18(25)8-14)9-22(35)32-21-11-19(36-33-21)23(5-6-23)24(26,27)28/h2-5,8,10,12-14H,6-7,9,11,15-16H2,1H3,(H,36,37,39);3-4,9,12-15H,5-8,10-11H2,1-2H3,(H,34,36,38);2-3,8,11-14,20H,4-7,9-10H2,1H3,(H,35,36,38);3-4,7,10-13,15H,5-6,8-9H2,1-2H3,(H,34,36,38);3-4,7,10-13,15H,5-6,8-9H2,1-2H3,(H,35,36,38);3-4,7,10-13H,5-6,8-9,14H2,1-2H3,(H,33,35,37);2-4,7-8,11-13H,5-6,9-10H2,1H3,(H,32,33,35)
InChIKeyADKRJJJIDNLHQY-UHFFFAOYSA-N
XLogP35.69
TPSA704.22 Ų
H-Bond Donors7
H-Bond Acceptors51
Rotatable Bonds58
Heavy Atoms273
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003804.56
LogP ≤ 535.69
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1051

Analyze 2-[4-[2-[(1-cyclopropyl-5-methylpyrazol-4-yl)methyl]pyrimidin-5-yl]-2-fluorophenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[2-fluoro-4-[2-[[1-(1-fluoroethyl)-3-methylpyrazol-4-yl]methyl]pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[2-fluoro-4-[2-[[1-(1-fluoroethyl)-5-methylpyrazol-4-yl]methyl]pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[2-fluoro-4-[2-[[3-methoxy-1-(2-methoxyethyl)pyrazol-4-yl]methyl]pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[2-fluoro-4-[2-[[3-(methoxymethyl)-1-methylpyrazol-4-yl]methyl]pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[2-fluoro-4-[2-[(2-methyl-1,3-dihydroisoindol-5-yl)methyl]pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[2-fluoro-4-[2-[(2-methylpyrazol-3-yl)methyl]pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-[(1-cyclopropyl-5-methylpyrazol-4-yl)methyl]pyrimidin-5-yl]-2-fluorophenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[2-fluoro-4-[2-[[1-(1-fluoroethyl)-3-methylpyrazol-4-yl]methyl]pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[2-fluoro-4-[2-[[1-(1-fluoroethyl)-5-methylpyrazol-4-yl]methyl]pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[2-fluoro-4-[2-[[3-methoxy-1-(2-methoxyethyl)pyrazol-4-yl]methyl]pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[2-fluoro-4-[2-[[3-(methoxymethyl)-1-methylpyrazol-4-yl]methyl]pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[2-fluoro-4-[2-[(2-methyl-1,3-dihydroisoindol-5-yl)methyl]pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[2-fluoro-4-[2-[(2-methylpyrazol-3-yl)methyl]pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide?
The IUPAC name of 2-[4-[2-[(1-cyclopropyl-5-methylpyrazol-4-yl)methyl]pyrimidin-5-yl]-2-fluorophenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[2-fluoro-4-[2-[[1-(1-fluoroethyl)-3-methylpyrazol-4-yl]methyl]pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[2-fluoro-4-[2-[[1-(1-fluoroethyl)-5-methylpyrazol-4-yl]methyl]pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[2-fluoro-4-[2-[[3-methoxy-1-(2-methoxyethyl)pyrazol-4-yl]methyl]pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[2-fluoro-4-[2-[[3-(methoxymethyl)-1-methylpyrazol-4-yl]methyl]pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[2-fluoro-4-[2-[(2-methyl-1,3-dihydroisoindol-5-yl)methyl]pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[2-fluoro-4-[2-[(2-methylpyrazol-3-yl)methyl]pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide (CID 157079994) is 2-[4-[2-[(1-cyclopropyl-5-methylpyrazol-4-yl)methyl]pyrimidin-5-yl]-2-fluorophenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[2-fluoro-4-[2-[[1-(1-fluoroethyl)-3-methylpyrazol-4-yl]methyl]pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[2-fluoro-4-[2-[[1-(1-fluoroethyl)-5-methylpyrazol-4-yl]methyl]pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[2-fluoro-4-[2-[[3-methoxy-1-(2-methoxyethyl)pyrazol-4-yl]methyl]pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[2-fluoro-4-[2-[[3-(methoxymethyl)-1-methylpyrazol-4-yl]methyl]pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[2-fluoro-4-[2-[(2-methyl-1,3-dihydroisoindol-5-yl)methyl]pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[2-fluoro-4-[2-[(2-methylpyrazol-3-yl)methyl]pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide.
What is the SMILES notation for 2-[4-[2-[(1-cyclopropyl-5-methylpyrazol-4-yl)methyl]pyrimidin-5-yl]-2-fluorophenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[2-fluoro-4-[2-[[1-(1-fluoroethyl)-3-methylpyrazol-4-yl]methyl]pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[2-fluoro-4-[2-[[1-(1-fluoroethyl)-5-methylpyrazol-4-yl]methyl]pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[2-fluoro-4-[2-[[3-methoxy-1-(2-methoxyethyl)pyrazol-4-yl]methyl]pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[2-fluoro-4-[2-[[3-(methoxymethyl)-1-methylpyrazol-4-yl]methyl]pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[2-fluoro-4-[2-[(2-methyl-1,3-dihydroisoindol-5-yl)methyl]pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[2-fluoro-4-[2-[(2-methylpyrazol-3-yl)methyl]pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide?
The canonical SMILES for 2-[4-[2-[(1-cyclopropyl-5-methylpyrazol-4-yl)methyl]pyrimidin-5-yl]-2-fluorophenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[2-fluoro-4-[2-[[1-(1-fluoroethyl)-3-methylpyrazol-4-yl]methyl]pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[2-fluoro-4-[2-[[1-(1-fluoroethyl)-5-methylpyrazol-4-yl]methyl]pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[2-fluoro-4-[2-[[3-methoxy-1-(2-methoxyethyl)pyrazol-4-yl]methyl]pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[2-fluoro-4-[2-[[3-(methoxymethyl)-1-methylpyrazol-4-yl]methyl]pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[2-fluoro-4-[2-[(2-methyl-1,3-dihydroisoindol-5-yl)methyl]pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[2-fluoro-4-[2-[(2-methylpyrazol-3-yl)methyl]pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide is CN1Cc2ccc(Cc3ncc(-c4ccc(CC(=O)Nc5cc(C6(C(F)(F)F)CC6)on5)c(F)c4)cn3)cc2C1.COCCn1cc(Cc2ncc(-c3ccc(CC(=O)Nc4cc(C5(C(F)(F)F)CC5)on4)c(F)c3)cn2)c(OC)n1.COCc1nn(C)cc1Cc1ncc(-c2ccc(CC(=O)Nc3cc(C4(C(F)(F)F)CC4)on3)c(F)c2)cn1.Cc1c(Cc2ncc(-c3ccc(CC(=O)Nc4cc(C5(C(F)(F)F)CC5)on4)c(F)c3)cn2)cnn1C(C)F.Cc1c(Cc2ncc(-c3ccc(CC(=O)Nc4cc(C5(C(F)(F)F)CC5)on4)c(F)c3)cn2)cnn1C1CC1.Cc1nn(C(C)F)cc1Cc1ncc(-c2ccc(CC(=O)Nc3cc(C4(C(F)(F)F)CC4)on3)c(F)c2)cn1.Cn1nccc1Cc1ncc(-c2ccc(CC(=O)Nc3cc(C4(C(F)(F)F)CC4)on3)c(F)c2)cn1.
What is the InChIKey of 2-[4-[2-[(1-cyclopropyl-5-methylpyrazol-4-yl)methyl]pyrimidin-5-yl]-2-fluorophenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[2-fluoro-4-[2-[[1-(1-fluoroethyl)-3-methylpyrazol-4-yl]methyl]pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[2-fluoro-4-[2-[[1-(1-fluoroethyl)-5-methylpyrazol-4-yl]methyl]pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[2-fluoro-4-[2-[[3-methoxy-1-(2-methoxyethyl)pyrazol-4-yl]methyl]pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[2-fluoro-4-[2-[[3-(methoxymethyl)-1-methylpyrazol-4-yl]methyl]pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[2-fluoro-4-[2-[(2-methyl-1,3-dihydroisoindol-5-yl)methyl]pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[2-fluoro-4-[2-[(2-methylpyrazol-3-yl)methyl]pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide?
The InChIKey is ADKRJJJIDNLHQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H25F4N5O2.C27H26F4N6O4.C27H24F4N6O2.2C26H23F5N6O2.C26H24F4N6O3.C24H20F4N6O2/c1-38-15-20-3-2-17(8-21(20)16-38)9-25-34-13-22(14-35-25)18-4-5-19(23(30)10-18)11-27(39)36-26-12-24(40-37-26)28(6-7-28)29(31,32)33;1-39-8-7-37-15-18(25(35-37)40-2)10-22-32-13-19(14-33-22)16-3-4-17(20(28)9-16)11-24(38)34-23-12-21(41-36-23)26(5-6-26)27(29,30)31;1-15-18(14-34-37(15)20-4-5-20)9-23-32-12-19(13-33-23)16-2-3-17(21(28)8-16)10-25(38)35-24-11-22(39-36-24)26(6-7-26)27(29,30)31;1-14-18(13-37(35-14)15(2)27)8-22-32-11-19(12-33-22)16-3-4-17(20(28)7-16)9-24(38)34-23-10-21(39-36-23)25(5-6-25)26(29,30)31;1-14-18(13-34-37(14)15(2)27)8-22-32-11-19(12-33-22)16-3-4-17(20(28)7-16)9-24(38)35-23-10-21(39-36-23)25(5-6-25)26(29,30)31;1-36-13-17(20(34-36)14-38-2)8-22-31-11-18(12-32-22)15-3-4-16(19(27)7-15)9-24(37)33-23-10-21(39-35-23)25(5-6-25)26(28,29)30;1-34-17(4-7-31-34)10-20-29-12-16(13-30-20)14-2-3-15(18(25)8-14)9-22(35)32-21-11-19(36-33-21)23(5-6-23)24(26,27)28/h2-5,8,10,12-14H,6-7,9,11,15-16H2,1H3,(H,36,37,39);3-4,9,12-15H,5-8,10-11H2,1-2H3,(H,34,36,38);2-3,8,11-14,20H,4-7,9-10H2,1H3,(H,35,36,38);3-4,7,10-13,15H,5-6,8-9H2,1-2H3,(H,34,36,38);3-4,7,10-13,15H,5-6,8-9H2,1-2H3,(H,35,36,38);3-4,7,10-13H,5-6,8-9,14H2,1-2H3,(H,33,35,37);2-4,7-8,11-13H,5-6,9-10H2,1H3,(H,32,33,35).
What are the key properties of 2-[4-[2-[(1-cyclopropyl-5-methylpyrazol-4-yl)methyl]pyrimidin-5-yl]-2-fluorophenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[2-fluoro-4-[2-[[1-(1-fluoroethyl)-3-methylpyrazol-4-yl]methyl]pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[2-fluoro-4-[2-[[1-(1-fluoroethyl)-5-methylpyrazol-4-yl]methyl]pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[2-fluoro-4-[2-[[3-methoxy-1-(2-methoxyethyl)pyrazol-4-yl]methyl]pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[2-fluoro-4-[2-[[3-(methoxymethyl)-1-methylpyrazol-4-yl]methyl]pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[2-fluoro-4-[2-[(2-methyl-1,3-dihydroisoindol-5-yl)methyl]pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[2-fluoro-4-[2-[(2-methylpyrazol-3-yl)methyl]pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide?
2-[4-[2-[(1-cyclopropyl-5-methylpyrazol-4-yl)methyl]pyrimidin-5-yl]-2-fluorophenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[2-fluoro-4-[2-[[1-(1-fluoroethyl)-3-methylpyrazol-4-yl]methyl]pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[2-fluoro-4-[2-[[1-(1-fluoroethyl)-5-methylpyrazol-4-yl]methyl]pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[2-fluoro-4-[2-[[3-methoxy-1-(2-methoxyethyl)pyrazol-4-yl]methyl]pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[2-fluoro-4-[2-[[3-(methoxymethyl)-1-methylpyrazol-4-yl]methyl]pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[2-fluoro-4-[2-[(2-methyl-1,3-dihydroisoindol-5-yl)methyl]pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[2-fluoro-4-[2-[(2-methylpyrazol-3-yl)methyl]pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide has a molecular weight of 3804.56 g/mol, XLogP of 35.69, 58 rotatable bonds, 7 hydrogen bond donors, and 51 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-[(1-cyclopropyl-5-methylpyrazol-4-yl)methyl]pyrimidin-5-yl]-2-fluorophenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[2-fluoro-4-[2-[[1-(1-fluoroethyl)-3-methylpyrazol-4-yl]methyl]pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[2-fluoro-4-[2-[[1-(1-fluoroethyl)-5-methylpyrazol-4-yl]methyl]pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[2-fluoro-4-[2-[[3-methoxy-1-(2-methoxyethyl)pyrazol-4-yl]methyl]pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[2-fluoro-4-[2-[[3-(methoxymethyl)-1-methylpyrazol-4-yl]methyl]pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[2-fluoro-4-[2-[(2-methyl-1,3-dihydroisoindol-5-yl)methyl]pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[2-fluoro-4-[2-[(2-methylpyrazol-3-yl)methyl]pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide is sourced from PubChem (CID 157079994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).