2-[2-[2-[2-(4-cyclohexylanilino)-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]-3-pyridinyl]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-(1,2,3,4-tetrahydroisoquinolin-6-ylmethyl)-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]phenyl]acetamide

C105H115F12N21O4 — CID 157333610

IUPAC2-[2-[2-[2-(4-cyclohexylanilino)-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]-3-pyridinyl]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-(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.NC(=O)Cc1ccccc1CCc1nc(Cc2ccc3c(c2)CCNC3)ncc1C(F)(F)F.NC(=O)Cc1cccnc1CCc1nc(Nc2ccc(C3CCCCC3)cc2)ncc1C(F)(F)F
InChIInChI=1S/2C27H31F3N6O.C26H28F3N5O.C25H25F3N4O/c1-2-36-14-4-6-20(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;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/h3,5,7-10,13,16,20H,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);1-6,11,15,30H,7-10,12-14H2,(H2,29,33)
InChIKeyBFOQQTMIJWVOSD-UHFFFAOYSA-N
MW1963.19 g/mol
LogP18.33
Rot. Bonds33

About 2-[2-[2-[2-(4-cyclohexylanilino)-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]-3-pyridinyl]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-(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-(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-(1,2,3,4-tetrahydroisoquinolin-6-ylmethyl)-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]phenyl]acetamide (PubChem CID 157333610) has the molecular formula C105H115F12N21O4 and a molecular weight of 1963.19 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-(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-(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-(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-(1,2,3,4-tetrahydroisoquinolin-6-ylmethyl)-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]phenyl]acetamide
PubChem CID157333610
Molecular FormulaC105H115F12N21O4
Molecular Weight1963.19 g/mol
Exact Mass1961.92
IUPAC Name2-[2-[2-[2-(4-cyclohexylanilino)-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]-3-pyridinyl]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-(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.NC(=O)Cc1ccccc1CCc1nc(Cc2ccc3c(c2)CCNC3)ncc1C(F)(F)F.NC(=O)Cc1cccnc1CCc1nc(Nc2ccc(C3CCCCC3)cc2)ncc1C(F)(F)F
InChIInChI=1S/2C27H31F3N6O.C26H28F3N5O.C25H25F3N4O/c1-2-36-14-4-6-20(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;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/h3,5,7-10,13,16,20H,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);1-6,11,15,30H,7-10,12-14H2,(H2,29,33)
InChIKeyBFOQQTMIJWVOSD-UHFFFAOYSA-N
XLogP18.33
TPSA368.75 Ų
H-Bond Donors8
H-Bond Acceptors21
Rotatable Bonds33
Heavy Atoms142
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001963.19
LogP ≤ 518.33
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1021

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

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Related Compounds

4-[4-[9-(2-aminopyrimidin-5-yl)-2-oxobenzo[h][1,6]naphthyridin-1-yl]-2-(trifluoromethyl)phenyl]-N-(1-methylpiperidin-4-yl)benzamide
CID 56663021
US10927111, Example 42
CID 155253680
(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-[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
2-(2-(2-(2-((4-(1-Methylpiperidin-4-yl)phenyl)amino)-5-(trifluoromethyl)pyrimidin-4-yl)ethyl)pyridin-3-yl)acetamide
CID 60164809
2-(2-(2-(2-((4-(1-Ethylpiperidin-3-yl)phenyl)amino)-5-(trifluoromethyl)pyrimidin-4-yl)ethyl)pyridin-3-yl)acetamide
CID 71209018
2-(2-(2-(2-((4-(1-Ethylpiperidin-4-yl)phenyl)amino)-5-(trifluoromethyl)pyrimidin-4-yl)ethyl)pyridin-3-yl)acetamide
CID 71209159
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-[4-[[5-[4-Methyl-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]-2-pyridinyl]-2-pyridinyl]amino]piperidin-1-yl]-2-naphthalen-2-ylethanone
CID 119098966

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-(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-(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-(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-(1,2,3,4-tetrahydroisoquinolin-6-ylmethyl)-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]phenyl]acetamide (CID 157333610) is 2-[2-[2-[2-(4-cyclohexylanilino)-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]-3-pyridinyl]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-(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-(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-(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-(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-(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.NC(=O)Cc1ccccc1CCc1nc(Cc2ccc3c(c2)CCNC3)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-(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-(1,2,3,4-tetrahydroisoquinolin-6-ylmethyl)-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]phenyl]acetamide?
The InChIKey is BFOQQTMIJWVOSD-UHFFFAOYSA-N. The full InChI is InChI=1S/2C27H31F3N6O.C26H28F3N5O.C25H25F3N4O/c1-2-36-14-4-6-20(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;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/h3,5,7-10,13,16,20H,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);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-(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-(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-(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-(1,2,3,4-tetrahydroisoquinolin-6-ylmethyl)-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]phenyl]acetamide has a molecular weight of 1963.19 g/mol, XLogP of 18.33, 33 rotatable bonds, 8 hydrogen bond donors, and 21 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-(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-(1,2,3,4-tetrahydroisoquinolin-6-ylmethyl)-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]phenyl]acetamide is sourced from PubChem (CID 157333610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).