N-(2-anilinopyrimidin-5-yl)-5-[[2-fluoro-5-(trifluoromethyl)benzoyl]amino]-2-methylbenzamide;N-(2-anilinopyrimidin-5-yl)-2-methyl-5-[[2-(1-methylpiperidin-4-yl)oxy-5-(trifluoromethyl)benzoyl]amino]benzamide;1-methylpiperidin-4-ol

C64H63F7N12O6 — CID 158647705

IUPACN-(2-anilinopyrimidin-5-yl)-5-[[2-fluoro-5-(trifluoromethyl)benzoyl]amino]-2-methylbenzamide;N-(2-anilinopyrimidin-5-yl)-2-methyl-5-[[2-(1-methylpiperidin-4-yl)oxy-5-(trifluoromethyl)benzoyl]amino]benzamide;1-methylpiperidin-4-ol
SMILESCN1CCC(O)CC1.Cc1ccc(NC(=O)c2cc(C(F)(F)F)ccc2F)cc1C(=O)Nc1cnc(Nc2ccccc2)nc1.Cc1ccc(NC(=O)c2cc(C(F)(F)F)ccc2OC2CCN(C)CC2)cc1C(=O)Nc1cnc(Nc2ccccc2)nc1
InChIInChI=1S/C32H31F3N6O3.C26H19F4N5O2.C6H13NO/c1-20-8-10-23(17-26(20)29(42)39-24-18-36-31(37-19-24)40-22-6-4-3-5-7-22)38-30(43)27-16-21(32(33,34)35)9-11-28(27)44-25-12-14-41(2)15-13-25;1-15-7-9-18(33-24(37)21-11-16(26(28,29)30)8-10-22(21)27)12-20(15)23(36)34-19-13-31-25(32-14-19)35-17-5-3-2-4-6-17;1-7-4-2-6(8)3-5-7/h3-11,16-19,25H,12-15H2,1-2H3,(H,38,43)(H,39,42)(H,36,37,40);2-14H,1H3,(H,33,37)(H,34,36)(H,31,32,35);6,8H,2-5H2,1H3
InChIKeyIBEBCOUFEQMDOZ-UHFFFAOYSA-N
MW1229.27 g/mol
LogP12.79
Rot. Bonds14

About N-(2-anilinopyrimidin-5-yl)-5-[[2-fluoro-5-(trifluoromethyl)benzoyl]amino]-2-methylbenzamide;N-(2-anilinopyrimidin-5-yl)-2-methyl-5-[[2-(1-methylpiperidin-4-yl)oxy-5-(trifluoromethyl)benzoyl]amino]benzamide;1-methylpiperidin-4-ol

N-(2-anilinopyrimidin-5-yl)-5-[[2-fluoro-5-(trifluoromethyl)benzoyl]amino]-2-methylbenzamide;N-(2-anilinopyrimidin-5-yl)-2-methyl-5-[[2-(1-methylpiperidin-4-yl)oxy-5-(trifluoromethyl)benzoyl]amino]benzamide;1-methylpiperidin-4-ol (PubChem CID 158647705) has the molecular formula C64H63F7N12O6 and a molecular weight of 1229.27 g/mol. Its IUPAC name is N-(2-anilinopyrimidin-5-yl)-5-[[2-fluoro-5-(trifluoromethyl)benzoyl]amino]-2-methylbenzamide;N-(2-anilinopyrimidin-5-yl)-2-methyl-5-[[2-(1-methylpiperidin-4-yl)oxy-5-(trifluoromethyl)benzoyl]amino]benzamide;1-methylpiperidin-4-ol.

Molecular Properties

Compound NameN-(2-anilinopyrimidin-5-yl)-5-[[2-fluoro-5-(trifluoromethyl)benzoyl]amino]-2-methylbenzamide;N-(2-anilinopyrimidin-5-yl)-2-methyl-5-[[2-(1-methylpiperidin-4-yl)oxy-5-(trifluoromethyl)benzoyl]amino]benzamide;1-methylpiperidin-4-ol
PubChem CID158647705
Molecular FormulaC64H63F7N12O6
Molecular Weight1229.27 g/mol
Exact Mass1228.49
IUPAC NameN-(2-anilinopyrimidin-5-yl)-5-[[2-fluoro-5-(trifluoromethyl)benzoyl]amino]-2-methylbenzamide;N-(2-anilinopyrimidin-5-yl)-2-methyl-5-[[2-(1-methylpiperidin-4-yl)oxy-5-(trifluoromethyl)benzoyl]amino]benzamide;1-methylpiperidin-4-ol
SMILESCN1CCC(O)CC1.Cc1ccc(NC(=O)c2cc(C(F)(F)F)ccc2F)cc1C(=O)Nc1cnc(Nc2ccccc2)nc1.Cc1ccc(NC(=O)c2cc(C(F)(F)F)ccc2OC2CCN(C)CC2)cc1C(=O)Nc1cnc(Nc2ccccc2)nc1
InChIInChI=1S/C32H31F3N6O3.C26H19F4N5O2.C6H13NO/c1-20-8-10-23(17-26(20)29(42)39-24-18-36-31(37-19-24)40-22-6-4-3-5-7-22)38-30(43)27-16-21(32(33,34)35)9-11-28(27)44-25-12-14-41(2)15-13-25;1-15-7-9-18(33-24(37)21-11-16(26(28,29)30)8-10-22(21)27)12-20(15)23(36)34-19-13-31-25(32-14-19)35-17-5-3-2-4-6-17;1-7-4-2-6(8)3-5-7/h3-11,16-19,25H,12-15H2,1-2H3,(H,38,43)(H,39,42)(H,36,37,40);2-14H,1H3,(H,33,37)(H,34,36)(H,31,32,35);6,8H,2-5H2,1H3
InChIKeyIBEBCOUFEQMDOZ-UHFFFAOYSA-N
XLogP12.79
TPSA227.96 Ų
H-Bond Donors7
H-Bond Acceptors14
Rotatable Bonds14
Heavy Atoms89
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001229.27
LogP ≤ 512.79
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1014

Analyze N-(2-anilinopyrimidin-5-yl)-5-[[2-fluoro-5-(trifluoromethyl)benzoyl]amino]-2-methylbenzamide;N-(2-anilinopyrimidin-5-yl)-2-methyl-5-[[2-(1-methylpiperidin-4-yl)oxy-5-(trifluoromethyl)benzoyl]amino]benzamide;1-methylpiperidin-4-ol with MolForge

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Related Compounds

5-(2-(2-aminopyrimidin-5-yl)ethynyl)-2-methoxy-N-(2-(piperidin-1-yl)-5-(trifluoromethyl)phenyl)benzamide
CID 11620207
Aminopyrimidine amide, 17
CID 24823589
US11319299, Example 86
CID 137377514
4-[(4-methylpiperazin-1-yl)methyl]-N-[4-methyl-3-(1-pyrimidin-2-ylpiperidin-4-yl)oxyphenyl]-3-(trifluoromethyl)benzamide
CID 134130252
N-[4-methyl-3-[2-(methylamino)quinazolin-6-yl]phenyl]-2-(2-morpholin-4-ylethoxy)-5-(trifluoromethyl)benzamide
CID 58829264
N-[4-methyl-3-[2-(methylamino)quinazolin-6-yl]phenyl]-2-(1-methylpiperidin-4-yl)oxy-5-(trifluoromethyl)benzamide
CID 58829421
2-[2-(diethylamino)ethoxy]-N-[4-methyl-3-[2-(methylamino)quinazolin-6-yl]phenyl]-5-(trifluoromethyl)benzamide
CID 58829734
5-(2-amino-6-quinazolinyl)-N-(2-((3-(dimethylamino)propyl)(methyl)amino)-5-(trifluoromethyl)phenyl)-2-(ethyloxy)benzamide
CID 58829748
5-(2-aminoquinazolin-6-yl)-2-methoxy-N-[3-[(4-methylpiperazin-1-yl)methyl]-5-(trifluoromethyl)phenyl]benzamide
CID 58829835
2-[(3S)-1-ethylpiperidin-3-yl]oxy-N-[4-methyl-3-[2-(methylamino)quinazolin-6-yl]phenyl]-5-(trifluoromethyl)benzamide
CID 58829968
2-[(3R)-1-ethylpiperidin-3-yl]oxy-N-[4-methyl-3-[2-(methylamino)quinazolin-6-yl]phenyl]-5-(trifluoromethyl)benzamide
CID 58830111
2-methyl-5-(((2-((1-methyl-4-piperidinyl)oxy)-5-(trifluoromethyl)phenyl)carbonyl)amino)-N-(2-(phenylamino)-5-pyrimidinyl)benzamide
CID 59381904

Frequently Asked Questions

What is the IUPAC name of N-(2-anilinopyrimidin-5-yl)-5-[[2-fluoro-5-(trifluoromethyl)benzoyl]amino]-2-methylbenzamide;N-(2-anilinopyrimidin-5-yl)-2-methyl-5-[[2-(1-methylpiperidin-4-yl)oxy-5-(trifluoromethyl)benzoyl]amino]benzamide;1-methylpiperidin-4-ol?
The IUPAC name of N-(2-anilinopyrimidin-5-yl)-5-[[2-fluoro-5-(trifluoromethyl)benzoyl]amino]-2-methylbenzamide;N-(2-anilinopyrimidin-5-yl)-2-methyl-5-[[2-(1-methylpiperidin-4-yl)oxy-5-(trifluoromethyl)benzoyl]amino]benzamide;1-methylpiperidin-4-ol (CID 158647705) is N-(2-anilinopyrimidin-5-yl)-5-[[2-fluoro-5-(trifluoromethyl)benzoyl]amino]-2-methylbenzamide;N-(2-anilinopyrimidin-5-yl)-2-methyl-5-[[2-(1-methylpiperidin-4-yl)oxy-5-(trifluoromethyl)benzoyl]amino]benzamide;1-methylpiperidin-4-ol.
What is the SMILES notation for N-(2-anilinopyrimidin-5-yl)-5-[[2-fluoro-5-(trifluoromethyl)benzoyl]amino]-2-methylbenzamide;N-(2-anilinopyrimidin-5-yl)-2-methyl-5-[[2-(1-methylpiperidin-4-yl)oxy-5-(trifluoromethyl)benzoyl]amino]benzamide;1-methylpiperidin-4-ol?
The canonical SMILES for N-(2-anilinopyrimidin-5-yl)-5-[[2-fluoro-5-(trifluoromethyl)benzoyl]amino]-2-methylbenzamide;N-(2-anilinopyrimidin-5-yl)-2-methyl-5-[[2-(1-methylpiperidin-4-yl)oxy-5-(trifluoromethyl)benzoyl]amino]benzamide;1-methylpiperidin-4-ol is CN1CCC(O)CC1.Cc1ccc(NC(=O)c2cc(C(F)(F)F)ccc2F)cc1C(=O)Nc1cnc(Nc2ccccc2)nc1.Cc1ccc(NC(=O)c2cc(C(F)(F)F)ccc2OC2CCN(C)CC2)cc1C(=O)Nc1cnc(Nc2ccccc2)nc1.
What is the InChIKey of N-(2-anilinopyrimidin-5-yl)-5-[[2-fluoro-5-(trifluoromethyl)benzoyl]amino]-2-methylbenzamide;N-(2-anilinopyrimidin-5-yl)-2-methyl-5-[[2-(1-methylpiperidin-4-yl)oxy-5-(trifluoromethyl)benzoyl]amino]benzamide;1-methylpiperidin-4-ol?
The InChIKey is IBEBCOUFEQMDOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H31F3N6O3.C26H19F4N5O2.C6H13NO/c1-20-8-10-23(17-26(20)29(42)39-24-18-36-31(37-19-24)40-22-6-4-3-5-7-22)38-30(43)27-16-21(32(33,34)35)9-11-28(27)44-25-12-14-41(2)15-13-25;1-15-7-9-18(33-24(37)21-11-16(26(28,29)30)8-10-22(21)27)12-20(15)23(36)34-19-13-31-25(32-14-19)35-17-5-3-2-4-6-17;1-7-4-2-6(8)3-5-7/h3-11,16-19,25H,12-15H2,1-2H3,(H,38,43)(H,39,42)(H,36,37,40);2-14H,1H3,(H,33,37)(H,34,36)(H,31,32,35);6,8H,2-5H2,1H3.
What are the key properties of N-(2-anilinopyrimidin-5-yl)-5-[[2-fluoro-5-(trifluoromethyl)benzoyl]amino]-2-methylbenzamide;N-(2-anilinopyrimidin-5-yl)-2-methyl-5-[[2-(1-methylpiperidin-4-yl)oxy-5-(trifluoromethyl)benzoyl]amino]benzamide;1-methylpiperidin-4-ol?
N-(2-anilinopyrimidin-5-yl)-5-[[2-fluoro-5-(trifluoromethyl)benzoyl]amino]-2-methylbenzamide;N-(2-anilinopyrimidin-5-yl)-2-methyl-5-[[2-(1-methylpiperidin-4-yl)oxy-5-(trifluoromethyl)benzoyl]amino]benzamide;1-methylpiperidin-4-ol has a molecular weight of 1229.27 g/mol, XLogP of 12.79, 14 rotatable bonds, 7 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-anilinopyrimidin-5-yl)-5-[[2-fluoro-5-(trifluoromethyl)benzoyl]amino]-2-methylbenzamide;N-(2-anilinopyrimidin-5-yl)-2-methyl-5-[[2-(1-methylpiperidin-4-yl)oxy-5-(trifluoromethyl)benzoyl]amino]benzamide;1-methylpiperidin-4-ol is sourced from PubChem (CID 158647705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).