N-(5-tert-butyl-1,2-oxazol-3-yl)-2-[2-fluoro-4-[2-(indolizin-1-ylmethyl)pyrimidin-5-yl]phenyl]acetamide;N-[5-[1-(1,1-difluoroethyl)cyclopropyl]-1,2-oxazol-3-yl]-2-[3-fluoro-4-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-5-yl]phenyl]acetamide;2-[2-fluoro-4-[2-(imidazo[1,2-a]pyrazin-3-ylmethyl)pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[2-fluoro-4-[2-(2H-pyrrol-5-ylmethyl)pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[2-fluoro-4-[2-(1,3-thiazol-2-ylmethyl)pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide

C125H103F16N29O10S — CID 157070097

IUPACN-(5-tert-butyl-1,2-oxazol-3-yl)-2-[2-fluoro-4-[2-(indolizin-1-ylmethyl)pyrimidin-5-yl]phenyl]acetamide;N-[5-[1-(1,1-difluoroethyl)cyclopropyl]-1,2-oxazol-3-yl]-2-[3-fluoro-4-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-5-yl]phenyl]acetamide;2-[2-fluoro-4-[2-(imidazo[1,2-a]pyrazin-3-ylmethyl)pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[2-fluoro-4-[2-(2H-pyrrol-5-ylmethyl)pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[2-fluoro-4-[2-(1,3-thiazol-2-ylmethyl)pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide
SMILESCC(C)(C)c1cc(NC(=O)Cc2ccc(-c3cnc(Cc4ccn5ccccc45)nc3)cc2F)no1.Cn1cc(Nc2ncc(-c3ccc(CC(=O)Nc4cc(C5(C(C)(F)F)CC5)on4)cc3F)cn2)cn1.O=C(Cc1ccc(-c2cnc(CC3=NCC=C3)nc2)cc1F)Nc1cc(C2(C(F)(F)F)CC2)on1.O=C(Cc1ccc(-c2cnc(Cc3cnc4cnccn34)nc2)cc1F)Nc1cc(C2(C(F)(F)F)CC2)on1.O=C(Cc1ccc(-c2cnc(Cc3nccs3)nc2)cc1F)Nc1cc(C2(C(F)(F)F)CC2)on1
InChIInChI=1S/C28H26FN5O2.C26H19F4N7O2.C24H19F4N5O2.C24H22F3N7O2.C23H17F4N5O2S/c1-28(2,3)24-15-26(33-36-24)32-27(35)14-19-8-7-18(12-22(19)29)21-16-30-25(31-17-21)13-20-9-11-34-10-5-4-6-23(20)34;27-19-7-15(17-11-32-21(33-12-17)9-18-13-34-23-14-31-5-6-37(18)23)1-2-16(19)8-24(38)35-22-10-20(39-36-22)25(3-4-25)26(28,29)30;25-18-8-14(16-12-30-20(31-13-16)10-17-2-1-7-29-17)3-4-15(18)9-22(34)32-21-11-19(35-33-21)23(5-6-23)24(26,27)28;1-23(26,27)24(5-6-24)19-9-20(33-36-19)32-21(35)8-14-3-4-17(18(25)7-14)15-10-28-22(29-11-15)31-16-12-30-34(2)13-16;24-16-7-13(15-11-29-18(30-12-15)10-21-28-5-6-35-21)1-2-14(16)8-20(33)31-19-9-17(34-32-19)22(3-4-22)23(25,26)27/h4-12,15-17H,13-14H2,1-3H3,(H,32,33,35);1-2,5-7,10-14H,3-4,8-9H2,(H,35,36,38);1-4,8,11-13H,5-7,9-10H2,(H,32,33,34);3-4,7,9-13H,5-6,8H2,1-2H3,(H,28,29,31)(H,32,33,35);1-2,5-7,9,11-12H,3-4,8,10H2,(H,31,32,33)
InChIKeyACIDVDAVDSWITJ-UHFFFAOYSA-N
MW2507.43 g/mol
LogP24.58
Rot. Bonds35

About N-(5-tert-butyl-1,2-oxazol-3-yl)-2-[2-fluoro-4-[2-(indolizin-1-ylmethyl)pyrimidin-5-yl]phenyl]acetamide;N-[5-[1-(1,1-difluoroethyl)cyclopropyl]-1,2-oxazol-3-yl]-2-[3-fluoro-4-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-5-yl]phenyl]acetamide;2-[2-fluoro-4-[2-(imidazo[1,2-a]pyrazin-3-ylmethyl)pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[2-fluoro-4-[2-(2H-pyrrol-5-ylmethyl)pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[2-fluoro-4-[2-(1,3-thiazol-2-ylmethyl)pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide

N-(5-tert-butyl-1,2-oxazol-3-yl)-2-[2-fluoro-4-[2-(indolizin-1-ylmethyl)pyrimidin-5-yl]phenyl]acetamide;N-[5-[1-(1,1-difluoroethyl)cyclopropyl]-1,2-oxazol-3-yl]-2-[3-fluoro-4-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-5-yl]phenyl]acetamide;2-[2-fluoro-4-[2-(imidazo[1,2-a]pyrazin-3-ylmethyl)pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[2-fluoro-4-[2-(2H-pyrrol-5-ylmethyl)pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[2-fluoro-4-[2-(1,3-thiazol-2-ylmethyl)pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide (PubChem CID 157070097) has the molecular formula C125H103F16N29O10S and a molecular weight of 2507.43 g/mol. Its IUPAC name is N-(5-tert-butyl-1,2-oxazol-3-yl)-2-[2-fluoro-4-[2-(indolizin-1-ylmethyl)pyrimidin-5-yl]phenyl]acetamide;N-[5-[1-(1,1-difluoroethyl)cyclopropyl]-1,2-oxazol-3-yl]-2-[3-fluoro-4-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-5-yl]phenyl]acetamide;2-[2-fluoro-4-[2-(imidazo[1,2-a]pyrazin-3-ylmethyl)pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[2-fluoro-4-[2-(2H-pyrrol-5-ylmethyl)pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[2-fluoro-4-[2-(1,3-thiazol-2-ylmethyl)pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide.

Molecular Properties

Compound NameN-(5-tert-butyl-1,2-oxazol-3-yl)-2-[2-fluoro-4-[2-(indolizin-1-ylmethyl)pyrimidin-5-yl]phenyl]acetamide;N-[5-[1-(1,1-difluoroethyl)cyclopropyl]-1,2-oxazol-3-yl]-2-[3-fluoro-4-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-5-yl]phenyl]acetamide;2-[2-fluoro-4-[2-(imidazo[1,2-a]pyrazin-3-ylmethyl)pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[2-fluoro-4-[2-(2H-pyrrol-5-ylmethyl)pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[2-fluoro-4-[2-(1,3-thiazol-2-ylmethyl)pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide
PubChem CID157070097
Molecular FormulaC125H103F16N29O10S
Molecular Weight2507.43 g/mol
Exact Mass2505.79
IUPAC NameN-(5-tert-butyl-1,2-oxazol-3-yl)-2-[2-fluoro-4-[2-(indolizin-1-ylmethyl)pyrimidin-5-yl]phenyl]acetamide;N-[5-[1-(1,1-difluoroethyl)cyclopropyl]-1,2-oxazol-3-yl]-2-[3-fluoro-4-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-5-yl]phenyl]acetamide;2-[2-fluoro-4-[2-(imidazo[1,2-a]pyrazin-3-ylmethyl)pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[2-fluoro-4-[2-(2H-pyrrol-5-ylmethyl)pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[2-fluoro-4-[2-(1,3-thiazol-2-ylmethyl)pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide
SMILESCC(C)(C)c1cc(NC(=O)Cc2ccc(-c3cnc(Cc4ccn5ccccc45)nc3)cc2F)no1.Cn1cc(Nc2ncc(-c3ccc(CC(=O)Nc4cc(C5(C(C)(F)F)CC5)on4)cc3F)cn2)cn1.O=C(Cc1ccc(-c2cnc(CC3=NCC=C3)nc2)cc1F)Nc1cc(C2(C(F)(F)F)CC2)on1.O=C(Cc1ccc(-c2cnc(Cc3cnc4cnccn34)nc2)cc1F)Nc1cc(C2(C(F)(F)F)CC2)on1.O=C(Cc1ccc(-c2cnc(Cc3nccs3)nc2)cc1F)Nc1cc(C2(C(F)(F)F)CC2)on1
InChIInChI=1S/C28H26FN5O2.C26H19F4N7O2.C24H19F4N5O2.C24H22F3N7O2.C23H17F4N5O2S/c1-28(2,3)24-15-26(33-36-24)32-27(35)14-19-8-7-18(12-22(19)29)21-16-30-25(31-17-21)13-20-9-11-34-10-5-4-6-23(20)34;27-19-7-15(17-11-32-21(33-12-17)9-18-13-34-23-14-31-5-6-37(18)23)1-2-16(19)8-24(38)35-22-10-20(39-36-22)25(3-4-25)26(28,29)30;25-18-8-14(16-12-30-20(31-13-16)10-17-2-1-7-29-17)3-4-15(18)9-22(34)32-21-11-19(35-33-21)23(5-6-23)24(26,27)28;1-23(26,27)24(5-6-24)19-9-20(33-36-19)32-21(35)8-14-3-4-17(18(25)7-14)15-10-28-22(29-11-15)31-16-12-30-34(2)13-16;24-16-7-13(15-11-29-18(30-12-15)10-21-28-5-6-35-21)1-2-14(16)8-20(33)31-19-9-17(34-32-19)22(3-4-22)23(25,26)27/h4-12,15-17H,13-14H2,1-3H3,(H,32,33,35);1-2,5-7,10-14H,3-4,8-9H2,(H,35,36,38);1-4,8,11-13H,5-7,9-10H2,(H,32,33,34);3-4,7,9-13H,5-6,8H2,1-2H3,(H,28,29,31)(H,32,33,35);1-2,5-7,9,11-12H,3-4,8,10H2,(H,31,32,33)
InChIKeyACIDVDAVDSWITJ-UHFFFAOYSA-N
XLogP24.58
TPSA494.25 Ų
H-Bond Donors6
H-Bond Acceptors35
Rotatable Bonds35
Heavy Atoms181
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002507.43
LogP ≤ 524.58
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1035

Analyze N-(5-tert-butyl-1,2-oxazol-3-yl)-2-[2-fluoro-4-[2-(indolizin-1-ylmethyl)pyrimidin-5-yl]phenyl]acetamide;N-[5-[1-(1,1-difluoroethyl)cyclopropyl]-1,2-oxazol-3-yl]-2-[3-fluoro-4-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-5-yl]phenyl]acetamide;2-[2-fluoro-4-[2-(imidazo[1,2-a]pyrazin-3-ylmethyl)pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[2-fluoro-4-[2-(2H-pyrrol-5-ylmethyl)pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[2-fluoro-4-[2-(1,3-thiazol-2-ylmethyl)pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide with MolForge

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Related Compounds

2-[2-fluoro-4-[2-[[1-[2-[3-[[2-[2-fluoro-4-[2-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-ylamino)pyrimidin-5-yl]phenyl]acetyl]amino]-1,2-oxazol-5-yl]-2-(trifluoromethyl)cyclopropyl]imidazol-4-yl]amino]pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide
CID 155273547
CID 157242465
CID 157242465
3-[2-[8-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]imidazo[1,2-b]pyridazin-3-yl]ethynyl]-4-methyl-N-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]benzamide;3-[2-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]ethynyl]-4-methyl-N-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]benzamide;3-[2-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]thieno[3,2-d]pyrimidin-7-yl]ethynyl]-4-methyl-N-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]benzamide
CID 157281490
2-[4-(5-benzylpyrazin-2-yl)-2-fluorophenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[4-(6-benzyl-3-pyridinyl)-2-fluorophenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[4-(2-benzylpyrimidin-5-yl)-2-fluorophenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[4-(2-benzylpyrimidin-5-yl)-2-fluorophenyl]-N-[5-(1,1,1-trifluoro-2-methylpropan-2-yl)-1,2-oxazol-3-yl]acetamide;2-[2-fluoro-4-[2-[(1-methylpyrazol-3-yl)methyl]pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[2-fluoro-4-[2-[(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-[(1-methylpyrazol-4-yl)methyl]pyrimidin-5-yl]phenyl]-N-[5-(1,1,1-trifluoro-2-methylpropan-2-yl)-1,2-oxazol-3-yl]acetamide
CID 157688271
CID 157743058
CID 157743058
CID 158196624
CID 158196624
N-[4-(2-amino-2-iminoethyl)-3-(trifluoromethyl)phenyl]-4-methyl-3-[2-(1H-pyrrolo[2,3-b]pyridin-5-yl)ethynyl]benzamide;N-(5-tert-butyl-1,2-oxazol-3-yl)-3-(2-isoquinolin-4-ylethynyl)-4-methylbenzamide;3-(2-cinnolin-4-ylethynyl)-N-[3-cyclopropyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]-4-methylbenzamide;N-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-2-[2-(1,6-naphthyridin-8-yl)ethynyl]-1,3-thiazole-5-carboxamide
CID 158483029
CID 158697463
CID 158697463
CID 159654146
CID 159654146
1-[2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-1,3-thiazol-5-yl]-3-(1H-indol-3-ylmethyl)heptan-1-one;1-[2-(6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl)-1,3-thiazol-5-yl]-3-(1H-indol-3-ylmethyl)heptan-1-one;2-[5-[3-(1H-indol-3-ylmethyl)heptanoyl]-1,3-thiazol-2-yl]-8-(trifluoromethyl)-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-6-one;3-(1H-indol-3-ylmethyl)-1-[2-(1-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl)-1,3-thiazol-5-yl]heptan-1-one;3-(1H-indol-3-ylmethyl)-1-[2-(3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-1,3-thiazol-5-yl]heptan-1-one;3-(1H-indol-3-ylmethyl)-1-[2-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-1,3-thiazol-5-yl]heptan-1-one
CID 160902476
CID 160962567
CID 160962567
N-[6-amino-5-[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]-2-chlorobenzamide;N-[6-amino-5-[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]-3-methylbenzamide;N-[6-amino-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]-4-tert-butylbenzamide;N-[6-amino-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]-1,2-oxazole-5-carboxamide;N-[6-amino-5-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-8-yl]-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-[6-(trifluoromethyl)imidazo[2,1-b][1,3]thiazol-5-yl]-2-pyridinyl]-4-methylbenzamide
CID 161068775

Frequently Asked Questions

What is the IUPAC name of N-(5-tert-butyl-1,2-oxazol-3-yl)-2-[2-fluoro-4-[2-(indolizin-1-ylmethyl)pyrimidin-5-yl]phenyl]acetamide;N-[5-[1-(1,1-difluoroethyl)cyclopropyl]-1,2-oxazol-3-yl]-2-[3-fluoro-4-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-5-yl]phenyl]acetamide;2-[2-fluoro-4-[2-(imidazo[1,2-a]pyrazin-3-ylmethyl)pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[2-fluoro-4-[2-(2H-pyrrol-5-ylmethyl)pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[2-fluoro-4-[2-(1,3-thiazol-2-ylmethyl)pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide?
The IUPAC name of N-(5-tert-butyl-1,2-oxazol-3-yl)-2-[2-fluoro-4-[2-(indolizin-1-ylmethyl)pyrimidin-5-yl]phenyl]acetamide;N-[5-[1-(1,1-difluoroethyl)cyclopropyl]-1,2-oxazol-3-yl]-2-[3-fluoro-4-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-5-yl]phenyl]acetamide;2-[2-fluoro-4-[2-(imidazo[1,2-a]pyrazin-3-ylmethyl)pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[2-fluoro-4-[2-(2H-pyrrol-5-ylmethyl)pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[2-fluoro-4-[2-(1,3-thiazol-2-ylmethyl)pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide (CID 157070097) is N-(5-tert-butyl-1,2-oxazol-3-yl)-2-[2-fluoro-4-[2-(indolizin-1-ylmethyl)pyrimidin-5-yl]phenyl]acetamide;N-[5-[1-(1,1-difluoroethyl)cyclopropyl]-1,2-oxazol-3-yl]-2-[3-fluoro-4-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-5-yl]phenyl]acetamide;2-[2-fluoro-4-[2-(imidazo[1,2-a]pyrazin-3-ylmethyl)pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[2-fluoro-4-[2-(2H-pyrrol-5-ylmethyl)pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[2-fluoro-4-[2-(1,3-thiazol-2-ylmethyl)pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide.
What is the SMILES notation for N-(5-tert-butyl-1,2-oxazol-3-yl)-2-[2-fluoro-4-[2-(indolizin-1-ylmethyl)pyrimidin-5-yl]phenyl]acetamide;N-[5-[1-(1,1-difluoroethyl)cyclopropyl]-1,2-oxazol-3-yl]-2-[3-fluoro-4-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-5-yl]phenyl]acetamide;2-[2-fluoro-4-[2-(imidazo[1,2-a]pyrazin-3-ylmethyl)pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[2-fluoro-4-[2-(2H-pyrrol-5-ylmethyl)pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[2-fluoro-4-[2-(1,3-thiazol-2-ylmethyl)pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide?
The canonical SMILES for N-(5-tert-butyl-1,2-oxazol-3-yl)-2-[2-fluoro-4-[2-(indolizin-1-ylmethyl)pyrimidin-5-yl]phenyl]acetamide;N-[5-[1-(1,1-difluoroethyl)cyclopropyl]-1,2-oxazol-3-yl]-2-[3-fluoro-4-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-5-yl]phenyl]acetamide;2-[2-fluoro-4-[2-(imidazo[1,2-a]pyrazin-3-ylmethyl)pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[2-fluoro-4-[2-(2H-pyrrol-5-ylmethyl)pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[2-fluoro-4-[2-(1,3-thiazol-2-ylmethyl)pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide is CC(C)(C)c1cc(NC(=O)Cc2ccc(-c3cnc(Cc4ccn5ccccc45)nc3)cc2F)no1.Cn1cc(Nc2ncc(-c3ccc(CC(=O)Nc4cc(C5(C(C)(F)F)CC5)on4)cc3F)cn2)cn1.O=C(Cc1ccc(-c2cnc(CC3=NCC=C3)nc2)cc1F)Nc1cc(C2(C(F)(F)F)CC2)on1.O=C(Cc1ccc(-c2cnc(Cc3cnc4cnccn34)nc2)cc1F)Nc1cc(C2(C(F)(F)F)CC2)on1.O=C(Cc1ccc(-c2cnc(Cc3nccs3)nc2)cc1F)Nc1cc(C2(C(F)(F)F)CC2)on1.
What is the InChIKey of N-(5-tert-butyl-1,2-oxazol-3-yl)-2-[2-fluoro-4-[2-(indolizin-1-ylmethyl)pyrimidin-5-yl]phenyl]acetamide;N-[5-[1-(1,1-difluoroethyl)cyclopropyl]-1,2-oxazol-3-yl]-2-[3-fluoro-4-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-5-yl]phenyl]acetamide;2-[2-fluoro-4-[2-(imidazo[1,2-a]pyrazin-3-ylmethyl)pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[2-fluoro-4-[2-(2H-pyrrol-5-ylmethyl)pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[2-fluoro-4-[2-(1,3-thiazol-2-ylmethyl)pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide?
The InChIKey is ACIDVDAVDSWITJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26FN5O2.C26H19F4N7O2.C24H19F4N5O2.C24H22F3N7O2.C23H17F4N5O2S/c1-28(2,3)24-15-26(33-36-24)32-27(35)14-19-8-7-18(12-22(19)29)21-16-30-25(31-17-21)13-20-9-11-34-10-5-4-6-23(20)34;27-19-7-15(17-11-32-21(33-12-17)9-18-13-34-23-14-31-5-6-37(18)23)1-2-16(19)8-24(38)35-22-10-20(39-36-22)25(3-4-25)26(28,29)30;25-18-8-14(16-12-30-20(31-13-16)10-17-2-1-7-29-17)3-4-15(18)9-22(34)32-21-11-19(35-33-21)23(5-6-23)24(26,27)28;1-23(26,27)24(5-6-24)19-9-20(33-36-19)32-21(35)8-14-3-4-17(18(25)7-14)15-10-28-22(29-11-15)31-16-12-30-34(2)13-16;24-16-7-13(15-11-29-18(30-12-15)10-21-28-5-6-35-21)1-2-14(16)8-20(33)31-19-9-17(34-32-19)22(3-4-22)23(25,26)27/h4-12,15-17H,13-14H2,1-3H3,(H,32,33,35);1-2,5-7,10-14H,3-4,8-9H2,(H,35,36,38);1-4,8,11-13H,5-7,9-10H2,(H,32,33,34);3-4,7,9-13H,5-6,8H2,1-2H3,(H,28,29,31)(H,32,33,35);1-2,5-7,9,11-12H,3-4,8,10H2,(H,31,32,33).
What are the key properties of N-(5-tert-butyl-1,2-oxazol-3-yl)-2-[2-fluoro-4-[2-(indolizin-1-ylmethyl)pyrimidin-5-yl]phenyl]acetamide;N-[5-[1-(1,1-difluoroethyl)cyclopropyl]-1,2-oxazol-3-yl]-2-[3-fluoro-4-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-5-yl]phenyl]acetamide;2-[2-fluoro-4-[2-(imidazo[1,2-a]pyrazin-3-ylmethyl)pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[2-fluoro-4-[2-(2H-pyrrol-5-ylmethyl)pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[2-fluoro-4-[2-(1,3-thiazol-2-ylmethyl)pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide?
N-(5-tert-butyl-1,2-oxazol-3-yl)-2-[2-fluoro-4-[2-(indolizin-1-ylmethyl)pyrimidin-5-yl]phenyl]acetamide;N-[5-[1-(1,1-difluoroethyl)cyclopropyl]-1,2-oxazol-3-yl]-2-[3-fluoro-4-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-5-yl]phenyl]acetamide;2-[2-fluoro-4-[2-(imidazo[1,2-a]pyrazin-3-ylmethyl)pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[2-fluoro-4-[2-(2H-pyrrol-5-ylmethyl)pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[2-fluoro-4-[2-(1,3-thiazol-2-ylmethyl)pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide has a molecular weight of 2507.43 g/mol, XLogP of 24.58, 35 rotatable bonds, 6 hydrogen bond donors, and 35 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-tert-butyl-1,2-oxazol-3-yl)-2-[2-fluoro-4-[2-(indolizin-1-ylmethyl)pyrimidin-5-yl]phenyl]acetamide;N-[5-[1-(1,1-difluoroethyl)cyclopropyl]-1,2-oxazol-3-yl]-2-[3-fluoro-4-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-5-yl]phenyl]acetamide;2-[2-fluoro-4-[2-(imidazo[1,2-a]pyrazin-3-ylmethyl)pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[2-fluoro-4-[2-(2H-pyrrol-5-ylmethyl)pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[2-fluoro-4-[2-(1,3-thiazol-2-ylmethyl)pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide is sourced from PubChem (CID 157070097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).