2-[2-[2-[2-(4-cyclohexylanilino)-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]-3-pyridinyl]acetamide;2-[2-[2-[2-(4-cyclopentylanilino)-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]phenyl]acetamide;2-[2-[2-[2-[4-(1-ethylpiperidin-3-yl)anilino]-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]-3-pyridinyl]acetamide;2-[2-[2-[2-[4-(1-ethylpiperidin-4-yl)anilino]-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]-3-pyridinyl]acetamide;2-[2-[2-[2-[4-[(4-methylpiperazin-1-yl)methyl]anilino]-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]phenyl]acetamide;2-[2-[2-[2-(1,2,3,4-tetrahydroisoquinolin-6-ylmethyl)-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]phenyl]acetamide

C158H173F18N31O6 — CID 160635859

IUPAC2-[2-[2-[2-(4-cyclohexylanilino)-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]-3-pyridinyl]acetamide;2-[2-[2-[2-(4-cyclopentylanilino)-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]phenyl]acetamide;2-[2-[2-[2-[4-(1-ethylpiperidin-3-yl)anilino]-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]-3-pyridinyl]acetamide;2-[2-[2-[2-[4-(1-ethylpiperidin-4-yl)anilino]-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]-3-pyridinyl]acetamide;2-[2-[2-[2-[4-[(4-methylpiperazin-1-yl)methyl]anilino]-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]phenyl]acetamide;2-[2-[2-[2-(1,2,3,4-tetrahydroisoquinolin-6-ylmethyl)-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]phenyl]acetamide
SMILESCCN1CCC(c2ccc(Nc3ncc(C(F)(F)F)c(CCc4ncccc4CC(N)=O)n3)cc2)CC1.CCN1CCCC(c2ccc(Nc3ncc(C(F)(F)F)c(CCc4ncccc4CC(N)=O)n3)cc2)C1.CN1CCN(Cc2ccc(Nc3ncc(C(F)(F)F)c(CCc4ccccc4CC(N)=O)n3)cc2)CC1.NC(=O)Cc1ccccc1CCc1nc(Cc2ccc3c(c2)CCNC3)ncc1C(F)(F)F.NC(=O)Cc1ccccc1CCc1nc(Nc2ccc(C3CCCC3)cc2)ncc1C(F)(F)F.NC(=O)Cc1cccnc1CCc1nc(Nc2ccc(C3CCCCC3)cc2)ncc1C(F)(F)F
InChIInChI=1S/3C27H31F3N6O.C26H28F3N5O.C26H27F3N4O.C25H25F3N4O/c1-35-12-14-36(15-13-35)18-19-6-9-22(10-7-19)33-26-32-17-23(27(28,29)30)24(34-26)11-8-20-4-2-3-5-21(20)16-25(31)37;1-2-36-14-4-6-20(17-36)18-7-9-21(10-8-18)34-26-33-16-22(27(28,29)30)24(35-26)12-11-23-19(15-25(31)37)5-3-13-32-23;1-2-36-14-11-19(12-15-36)18-5-7-21(8-6-18)34-26-33-17-22(27(28,29)30)24(35-26)10-9-23-20(16-25(31)37)4-3-13-32-23;27-26(28,29)21-16-32-25(33-20-10-8-18(9-11-20)17-5-2-1-3-6-17)34-23(21)13-12-22-19(15-24(30)35)7-4-14-31-22;27-26(28,29)22-16-31-25(32-21-12-9-19(10-13-21)17-5-1-2-6-17)33-23(22)14-11-18-7-3-4-8-20(18)15-24(30)34;26-25(27,28)21-15-31-24(12-16-5-6-20-14-30-10-9-19(20)11-16)32-22(21)8-7-17-3-1-2-4-18(17)13-23(29)33/h2-7,9-10,17H,8,11-16,18H2,1H3,(H2,31,37)(H,32,33,34);3,5,7-10,13,16,20H,2,4,6,11-12,14-15,17H2,1H3,(H2,31,37)(H,33,34,35);3-8,13,17,19H,2,9-12,14-16H2,1H3,(H2,31,37)(H,33,34,35);4,7-11,14,16-17H,1-3,5-6,12-13,15H2,(H2,30,35)(H,32,33,34);3-4,7-10,12-13,16-17H,1-2,5-6,11,14-15H2,(H2,30,34)(H,31,32,33);1-6,11,15,30H,7-10,12-14H2,(H2,29,33)
InChIKeyRINIOZATSDWBFM-UHFFFAOYSA-N
MW2944.30 g/mol
LogP27.84
Rot. Bonds50

About 2-[2-[2-[2-(4-cyclohexylanilino)-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]-3-pyridinyl]acetamide;2-[2-[2-[2-(4-cyclopentylanilino)-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]phenyl]acetamide;2-[2-[2-[2-[4-(1-ethylpiperidin-3-yl)anilino]-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]-3-pyridinyl]acetamide;2-[2-[2-[2-[4-(1-ethylpiperidin-4-yl)anilino]-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]-3-pyridinyl]acetamide;2-[2-[2-[2-[4-[(4-methylpiperazin-1-yl)methyl]anilino]-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]phenyl]acetamide;2-[2-[2-[2-(1,2,3,4-tetrahydroisoquinolin-6-ylmethyl)-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]phenyl]acetamide

2-[2-[2-[2-(4-cyclohexylanilino)-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]-3-pyridinyl]acetamide;2-[2-[2-[2-(4-cyclopentylanilino)-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]phenyl]acetamide;2-[2-[2-[2-[4-(1-ethylpiperidin-3-yl)anilino]-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]-3-pyridinyl]acetamide;2-[2-[2-[2-[4-(1-ethylpiperidin-4-yl)anilino]-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]-3-pyridinyl]acetamide;2-[2-[2-[2-[4-[(4-methylpiperazin-1-yl)methyl]anilino]-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]phenyl]acetamide;2-[2-[2-[2-(1,2,3,4-tetrahydroisoquinolin-6-ylmethyl)-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]phenyl]acetamide (PubChem CID 160635859) has the molecular formula C158H173F18N31O6 and a molecular weight of 2944.30 g/mol. Its IUPAC name is 2-[2-[2-[2-(4-cyclohexylanilino)-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]-3-pyridinyl]acetamide;2-[2-[2-[2-(4-cyclopentylanilino)-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]phenyl]acetamide;2-[2-[2-[2-[4-(1-ethylpiperidin-3-yl)anilino]-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]-3-pyridinyl]acetamide;2-[2-[2-[2-[4-(1-ethylpiperidin-4-yl)anilino]-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]-3-pyridinyl]acetamide;2-[2-[2-[2-[4-[(4-methylpiperazin-1-yl)methyl]anilino]-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]phenyl]acetamide;2-[2-[2-[2-(1,2,3,4-tetrahydroisoquinolin-6-ylmethyl)-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]phenyl]acetamide.

Molecular Properties

Compound Name2-[2-[2-[2-(4-cyclohexylanilino)-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]-3-pyridinyl]acetamide;2-[2-[2-[2-(4-cyclopentylanilino)-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]phenyl]acetamide;2-[2-[2-[2-[4-(1-ethylpiperidin-3-yl)anilino]-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]-3-pyridinyl]acetamide;2-[2-[2-[2-[4-(1-ethylpiperidin-4-yl)anilino]-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]-3-pyridinyl]acetamide;2-[2-[2-[2-[4-[(4-methylpiperazin-1-yl)methyl]anilino]-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]phenyl]acetamide;2-[2-[2-[2-(1,2,3,4-tetrahydroisoquinolin-6-ylmethyl)-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]phenyl]acetamide
PubChem CID160635859
Molecular FormulaC158H173F18N31O6
Molecular Weight2944.30 g/mol
Exact Mass2942.39
IUPAC Name2-[2-[2-[2-(4-cyclohexylanilino)-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]-3-pyridinyl]acetamide;2-[2-[2-[2-(4-cyclopentylanilino)-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]phenyl]acetamide;2-[2-[2-[2-[4-(1-ethylpiperidin-3-yl)anilino]-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]-3-pyridinyl]acetamide;2-[2-[2-[2-[4-(1-ethylpiperidin-4-yl)anilino]-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]-3-pyridinyl]acetamide;2-[2-[2-[2-[4-[(4-methylpiperazin-1-yl)methyl]anilino]-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]phenyl]acetamide;2-[2-[2-[2-(1,2,3,4-tetrahydroisoquinolin-6-ylmethyl)-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]phenyl]acetamide
SMILESCCN1CCC(c2ccc(Nc3ncc(C(F)(F)F)c(CCc4ncccc4CC(N)=O)n3)cc2)CC1.CCN1CCCC(c2ccc(Nc3ncc(C(F)(F)F)c(CCc4ncccc4CC(N)=O)n3)cc2)C1.CN1CCN(Cc2ccc(Nc3ncc(C(F)(F)F)c(CCc4ccccc4CC(N)=O)n3)cc2)CC1.NC(=O)Cc1ccccc1CCc1nc(Cc2ccc3c(c2)CCNC3)ncc1C(F)(F)F.NC(=O)Cc1ccccc1CCc1nc(Nc2ccc(C3CCCC3)cc2)ncc1C(F)(F)F.NC(=O)Cc1cccnc1CCc1nc(Nc2ccc(C3CCCCC3)cc2)ncc1C(F)(F)F
InChIInChI=1S/3C27H31F3N6O.C26H28F3N5O.C26H27F3N4O.C25H25F3N4O/c1-35-12-14-36(15-13-35)18-19-6-9-22(10-7-19)33-26-32-17-23(27(28,29)30)24(34-26)11-8-20-4-2-3-5-21(20)16-25(31)37;1-2-36-14-4-6-20(17-36)18-7-9-21(10-8-18)34-26-33-16-22(27(28,29)30)24(35-26)12-11-23-19(15-25(31)37)5-3-13-32-23;1-2-36-14-11-19(12-15-36)18-5-7-21(8-6-18)34-26-33-17-22(27(28,29)30)24(35-26)10-9-23-20(16-25(31)37)4-3-13-32-23;27-26(28,29)21-16-32-25(33-20-10-8-18(9-11-20)17-5-2-1-3-6-17)34-23(21)13-12-22-19(15-24(30)35)7-4-14-31-22;27-26(28,29)22-16-31-25(32-21-12-9-19(10-13-21)17-5-1-2-6-17)33-23(22)14-11-18-7-3-4-8-20(18)15-24(30)34;26-25(27,28)21-15-31-24(12-16-5-6-20-14-30-10-9-19(20)11-16)32-22(21)8-7-17-3-1-2-4-18(17)13-23(29)33/h2-7,9-10,17H,8,11-16,18H2,1H3,(H2,31,37)(H,32,33,34);3,5,7-10,13,16,20H,2,4,6,11-12,14-15,17H2,1H3,(H2,31,37)(H,33,34,35);3-8,13,17,19H,2,9-12,14-16H2,1H3,(H2,31,37)(H,33,34,35);4,7-11,14,16-17H,1-3,5-6,12-13,15H2,(H2,30,35)(H,32,33,34);3-4,7-10,12-13,16-17H,1-2,5-6,11,14-15H2,(H2,30,34)(H,31,32,33);1-6,11,15,30H,7-10,12-14H2,(H2,29,33)
InChIKeyRINIOZATSDWBFM-UHFFFAOYSA-N
XLogP27.84
TPSA537.03 Ų
H-Bond Donors12
H-Bond Acceptors31
Rotatable Bonds50
Heavy Atoms213
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002944.30
LogP ≤ 527.84
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1031

Analyze 2-[2-[2-[2-(4-cyclohexylanilino)-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]-3-pyridinyl]acetamide;2-[2-[2-[2-(4-cyclopentylanilino)-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]phenyl]acetamide;2-[2-[2-[2-[4-(1-ethylpiperidin-3-yl)anilino]-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]-3-pyridinyl]acetamide;2-[2-[2-[2-[4-(1-ethylpiperidin-4-yl)anilino]-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]-3-pyridinyl]acetamide;2-[2-[2-[2-[4-[(4-methylpiperazin-1-yl)methyl]anilino]-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]phenyl]acetamide;2-[2-[2-[2-(1,2,3,4-tetrahydroisoquinolin-6-ylmethyl)-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]phenyl]acetamide with MolForge

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Related Compounds

(E)-N-(4-((4-ethylpiperazin-1-yl)methyl)-3-(trifluoromethyl)phenyl)-4-methyl-3-(2-(5-(2-methyl-6-(piperazin-1-yl)pyrimidin-4-ylamino)pyrazin-2-yl)vinyl)benzamide
CID 24816492
N-[3-[1-cyclohexyl-7-[(6-methyl-3-pyridinyl)amino]-2-oxo-4H-pyrimido[4,5-d]pyrimidin-3-yl]-4-methylphenyl]-4-methyl-3-(trifluoromethyl)benzamide
CID 145967106
4-methyl-N-[4-methyl-3-[7-[(6-methyl-3-pyridinyl)amino]-2-oxo-1-phenyl-4H-pyrimido[4,5-d]pyrimidin-3-yl]phenyl]-3-(trifluoromethyl)benzamide
CID 145972806
N-[4-methyl-3-[1-methyl-7-[(6-methyl-3-pyridinyl)amino]-2-oxo-4H-pyrimido[4,5-d]pyrimidin-3-yl]phenyl]-4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)benzamide
CID 145977177
N-[3-[1-benzyl-7-[(6-methyl-3-pyridinyl)amino]-2-oxo-4H-pyrimido[4,5-d]pyrimidin-3-yl]-4-methylphenyl]-4-methyl-3-(trifluoromethyl)benzamide
CID 145978330
N-[3-[[2-[3-[[1-(2-fluoroacetyl)piperidin-4-yl]amino]anilino]pyrimidin-5-yl]carbamoyl]-4-methylphenyl]isoquinoline-6-carboxamide
CID 168285808
N-(6-acetyl-2-phenyl-5,6,7,8-tetrahydro-1,6-naphthyridin-3-yl)-2-fluoro-5-(pyrimidin-2-yl)-4-(trifluoromethyl)benzamide
CID 118393366
N-(6-acetyl-2-phenyl-5,6,7,8-tetrahydro-1,6-naphthyridin-3-yl)-3-(pyrimidin-2-yl)-4-(trifluoromethyl)benzamide
CID 118393390
3-(2-fluoro-5-(pyrimidin-2-yl)-4-(trifluoromethyl)benzamido)-N-methyl-2-phenyl-7,8-dihydro-1,6-naphthyridine-6(5H)-carboxamide
CID 118393548
3-(2-fluoro-5-(pyrimidin-2-yl)-4-(trifluoromethyl)benzamido)-2-phenyl-7,8-dihydro-1,6-naphthyridine-6(5H)-carboxamide
CID 118393573
1-benzyl-N-[4-({[6-methyl-2-(4-pyridin-2-ylpiperazin-1-yl)quinazolin-4-yl]amino}methyl)phenyl]piperidine-4-carboxamide
CID 25026716
N-[3-[[2-[3-[1-[(E)-4-(dimethylamino)but-2-enoyl]piperidin-4-yl]anilino]pyrimidin-5-yl]carbamoyl]-4-methylphenyl]isoquinoline-6-carboxamide
CID 172449208

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-[2-(4-cyclohexylanilino)-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]-3-pyridinyl]acetamide;2-[2-[2-[2-(4-cyclopentylanilino)-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]phenyl]acetamide;2-[2-[2-[2-[4-(1-ethylpiperidin-3-yl)anilino]-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]-3-pyridinyl]acetamide;2-[2-[2-[2-[4-(1-ethylpiperidin-4-yl)anilino]-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]-3-pyridinyl]acetamide;2-[2-[2-[2-[4-[(4-methylpiperazin-1-yl)methyl]anilino]-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]phenyl]acetamide;2-[2-[2-[2-(1,2,3,4-tetrahydroisoquinolin-6-ylmethyl)-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]phenyl]acetamide?
The IUPAC name of 2-[2-[2-[2-(4-cyclohexylanilino)-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]-3-pyridinyl]acetamide;2-[2-[2-[2-(4-cyclopentylanilino)-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]phenyl]acetamide;2-[2-[2-[2-[4-(1-ethylpiperidin-3-yl)anilino]-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]-3-pyridinyl]acetamide;2-[2-[2-[2-[4-(1-ethylpiperidin-4-yl)anilino]-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]-3-pyridinyl]acetamide;2-[2-[2-[2-[4-[(4-methylpiperazin-1-yl)methyl]anilino]-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]phenyl]acetamide;2-[2-[2-[2-(1,2,3,4-tetrahydroisoquinolin-6-ylmethyl)-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]phenyl]acetamide (CID 160635859) is 2-[2-[2-[2-(4-cyclohexylanilino)-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]-3-pyridinyl]acetamide;2-[2-[2-[2-(4-cyclopentylanilino)-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]phenyl]acetamide;2-[2-[2-[2-[4-(1-ethylpiperidin-3-yl)anilino]-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]-3-pyridinyl]acetamide;2-[2-[2-[2-[4-(1-ethylpiperidin-4-yl)anilino]-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]-3-pyridinyl]acetamide;2-[2-[2-[2-[4-[(4-methylpiperazin-1-yl)methyl]anilino]-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]phenyl]acetamide;2-[2-[2-[2-(1,2,3,4-tetrahydroisoquinolin-6-ylmethyl)-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]phenyl]acetamide.
What is the SMILES notation for 2-[2-[2-[2-(4-cyclohexylanilino)-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]-3-pyridinyl]acetamide;2-[2-[2-[2-(4-cyclopentylanilino)-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]phenyl]acetamide;2-[2-[2-[2-[4-(1-ethylpiperidin-3-yl)anilino]-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]-3-pyridinyl]acetamide;2-[2-[2-[2-[4-(1-ethylpiperidin-4-yl)anilino]-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]-3-pyridinyl]acetamide;2-[2-[2-[2-[4-[(4-methylpiperazin-1-yl)methyl]anilino]-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]phenyl]acetamide;2-[2-[2-[2-(1,2,3,4-tetrahydroisoquinolin-6-ylmethyl)-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]phenyl]acetamide?
The canonical SMILES for 2-[2-[2-[2-(4-cyclohexylanilino)-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]-3-pyridinyl]acetamide;2-[2-[2-[2-(4-cyclopentylanilino)-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]phenyl]acetamide;2-[2-[2-[2-[4-(1-ethylpiperidin-3-yl)anilino]-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]-3-pyridinyl]acetamide;2-[2-[2-[2-[4-(1-ethylpiperidin-4-yl)anilino]-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]-3-pyridinyl]acetamide;2-[2-[2-[2-[4-[(4-methylpiperazin-1-yl)methyl]anilino]-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]phenyl]acetamide;2-[2-[2-[2-(1,2,3,4-tetrahydroisoquinolin-6-ylmethyl)-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]phenyl]acetamide is CCN1CCC(c2ccc(Nc3ncc(C(F)(F)F)c(CCc4ncccc4CC(N)=O)n3)cc2)CC1.CCN1CCCC(c2ccc(Nc3ncc(C(F)(F)F)c(CCc4ncccc4CC(N)=O)n3)cc2)C1.CN1CCN(Cc2ccc(Nc3ncc(C(F)(F)F)c(CCc4ccccc4CC(N)=O)n3)cc2)CC1.NC(=O)Cc1ccccc1CCc1nc(Cc2ccc3c(c2)CCNC3)ncc1C(F)(F)F.NC(=O)Cc1ccccc1CCc1nc(Nc2ccc(C3CCCC3)cc2)ncc1C(F)(F)F.NC(=O)Cc1cccnc1CCc1nc(Nc2ccc(C3CCCCC3)cc2)ncc1C(F)(F)F.
What is the InChIKey of 2-[2-[2-[2-(4-cyclohexylanilino)-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]-3-pyridinyl]acetamide;2-[2-[2-[2-(4-cyclopentylanilino)-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]phenyl]acetamide;2-[2-[2-[2-[4-(1-ethylpiperidin-3-yl)anilino]-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]-3-pyridinyl]acetamide;2-[2-[2-[2-[4-(1-ethylpiperidin-4-yl)anilino]-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]-3-pyridinyl]acetamide;2-[2-[2-[2-[4-[(4-methylpiperazin-1-yl)methyl]anilino]-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]phenyl]acetamide;2-[2-[2-[2-(1,2,3,4-tetrahydroisoquinolin-6-ylmethyl)-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]phenyl]acetamide?
The InChIKey is RINIOZATSDWBFM-UHFFFAOYSA-N. The full InChI is InChI=1S/3C27H31F3N6O.C26H28F3N5O.C26H27F3N4O.C25H25F3N4O/c1-35-12-14-36(15-13-35)18-19-6-9-22(10-7-19)33-26-32-17-23(27(28,29)30)24(34-26)11-8-20-4-2-3-5-21(20)16-25(31)37;1-2-36-14-4-6-20(17-36)18-7-9-21(10-8-18)34-26-33-16-22(27(28,29)30)24(35-26)12-11-23-19(15-25(31)37)5-3-13-32-23;1-2-36-14-11-19(12-15-36)18-5-7-21(8-6-18)34-26-33-17-22(27(28,29)30)24(35-26)10-9-23-20(16-25(31)37)4-3-13-32-23;27-26(28,29)21-16-32-25(33-20-10-8-18(9-11-20)17-5-2-1-3-6-17)34-23(21)13-12-22-19(15-24(30)35)7-4-14-31-22;27-26(28,29)22-16-31-25(32-21-12-9-19(10-13-21)17-5-1-2-6-17)33-23(22)14-11-18-7-3-4-8-20(18)15-24(30)34;26-25(27,28)21-15-31-24(12-16-5-6-20-14-30-10-9-19(20)11-16)32-22(21)8-7-17-3-1-2-4-18(17)13-23(29)33/h2-7,9-10,17H,8,11-16,18H2,1H3,(H2,31,37)(H,32,33,34);3,5,7-10,13,16,20H,2,4,6,11-12,14-15,17H2,1H3,(H2,31,37)(H,33,34,35);3-8,13,17,19H,2,9-12,14-16H2,1H3,(H2,31,37)(H,33,34,35);4,7-11,14,16-17H,1-3,5-6,12-13,15H2,(H2,30,35)(H,32,33,34);3-4,7-10,12-13,16-17H,1-2,5-6,11,14-15H2,(H2,30,34)(H,31,32,33);1-6,11,15,30H,7-10,12-14H2,(H2,29,33).
What are the key properties of 2-[2-[2-[2-(4-cyclohexylanilino)-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]-3-pyridinyl]acetamide;2-[2-[2-[2-(4-cyclopentylanilino)-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]phenyl]acetamide;2-[2-[2-[2-[4-(1-ethylpiperidin-3-yl)anilino]-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]-3-pyridinyl]acetamide;2-[2-[2-[2-[4-(1-ethylpiperidin-4-yl)anilino]-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]-3-pyridinyl]acetamide;2-[2-[2-[2-[4-[(4-methylpiperazin-1-yl)methyl]anilino]-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]phenyl]acetamide;2-[2-[2-[2-(1,2,3,4-tetrahydroisoquinolin-6-ylmethyl)-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]phenyl]acetamide?
2-[2-[2-[2-(4-cyclohexylanilino)-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]-3-pyridinyl]acetamide;2-[2-[2-[2-(4-cyclopentylanilino)-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]phenyl]acetamide;2-[2-[2-[2-[4-(1-ethylpiperidin-3-yl)anilino]-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]-3-pyridinyl]acetamide;2-[2-[2-[2-[4-(1-ethylpiperidin-4-yl)anilino]-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]-3-pyridinyl]acetamide;2-[2-[2-[2-[4-[(4-methylpiperazin-1-yl)methyl]anilino]-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]phenyl]acetamide;2-[2-[2-[2-(1,2,3,4-tetrahydroisoquinolin-6-ylmethyl)-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]phenyl]acetamide has a molecular weight of 2944.30 g/mol, XLogP of 27.84, 50 rotatable bonds, 12 hydrogen bond donors, and 31 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-[2-(4-cyclohexylanilino)-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]-3-pyridinyl]acetamide;2-[2-[2-[2-(4-cyclopentylanilino)-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]phenyl]acetamide;2-[2-[2-[2-[4-(1-ethylpiperidin-3-yl)anilino]-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]-3-pyridinyl]acetamide;2-[2-[2-[2-[4-(1-ethylpiperidin-4-yl)anilino]-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]-3-pyridinyl]acetamide;2-[2-[2-[2-[4-[(4-methylpiperazin-1-yl)methyl]anilino]-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]phenyl]acetamide;2-[2-[2-[2-(1,2,3,4-tetrahydroisoquinolin-6-ylmethyl)-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]phenyl]acetamide is sourced from PubChem (CID 160635859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).