2-[cyclopentyl(methyl)amino]-N-[6-[4-[(2-fluorophenyl)carbamoyl]piperazin-1-yl]-3-pyridinyl]-4-(trifluoromethyl)pyrimidine-5-carboxamide;2-(4-methoxyphenyl)-1-[4-[5-[2-oxo-2-[2-piperidin-1-yl-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethyl]-2-pyridinyl]piperazin-1-yl]ethanone;2-[6-[4-[2-(2-methylphenyl)ethyl]piperazin-1-yl]-3-pyridinyl]-1-[2-piperidin-1-yl-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethanone;1-[2-piperidin-1-yl-4-(trifluoromethyl)-1,3-oxazol-5-yl]-2-[6-[4-[2-[2-(trifluoromethyl)phenyl]acetyl]piperazin-1-yl]-3-pyridinyl]ethanone;1-[2-piperidin-1-yl-4-(trifluoromethyl)-1,3-oxazol-5-yl]-2-[6-[4-[2-(2,4,6-trimethylphenyl)acetyl]piperazin-1-yl]-3-pyridinyl]ethanone

C146H161F19N28O14 — CID 123736329

About 2-[cyclopentyl(methyl)amino]-N-[6-[4-[(2-fluorophenyl)carbamoyl]piperazin-1-yl]-3-pyridinyl]-4-(trifluoromethyl)pyrimidine-5-carboxamide;2-(4-methoxyphenyl)-1-[4-[5-[2-oxo-2-[2-piperidin-1-yl-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethyl]-2-pyridinyl]piperazin-1-yl]ethanone;2-[6-[4-[2-(2-methylphenyl)ethyl]piperazin-1-yl]-3-pyridinyl]-1-[2-piperidin-1-yl-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethanone;1-[2-piperidin-1-yl-4-(trifluoromethyl)-1,3-oxazol-5-yl]-2-[6-[4-[2-[2-(trifluoromethyl)phenyl]acetyl]piperazin-1-yl]-3-pyridinyl]ethanone;1-[2-piperidin-1-yl-4-(trifluoromethyl)-1,3-oxazol-5-yl]-2-[6-[4-[2-(2,4,6-trimethylphenyl)acetyl]piperazin-1-yl]-3-pyridinyl]ethanone

2-[cyclopentyl(methyl)amino]-N-[6-[4-[(2-fluorophenyl)carbamoyl]piperazin-1-yl]-3-pyridinyl]-4-(trifluoromethyl)pyrimidine-5-carboxamide;2-(4-methoxyphenyl)-1-[4-[5-[2-oxo-2-[2-piperidin-1-yl-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethyl]-2-pyridinyl]piperazin-1-yl]ethanone;2-[6-[4-[2-(2-methylphenyl)ethyl]piperazin-1-yl]-3-pyridinyl]-1-[2-piperidin-1-yl-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethanone;1-[2-piperidin-1-yl-4-(trifluoromethyl)-1,3-oxazol-5-yl]-2-[6-[4-[2-[2-(trifluoromethyl)phenyl]acetyl]piperazin-1-yl]-3-pyridinyl]ethanone;1-[2-piperidin-1-yl-4-(trifluoromethyl)-1,3-oxazol-5-yl]-2-[6-[4-[2-(2,4,6-trimethylphenyl)acetyl]piperazin-1-yl]-3-pyridinyl]ethanone (PubChem CID 123736329) has the molecular formula C146H161F19N28O14 and a molecular weight of 2893.04 g/mol. Its IUPAC name is 2-[cyclopentyl(methyl)amino]-N-[6-[4-[(2-fluorophenyl)carbamoyl]piperazin-1-yl]-3-pyridinyl]-4-(trifluoromethyl)pyrimidine-5-carboxamide;2-(4-methoxyphenyl)-1-[4-[5-[2-oxo-2-[2-piperidin-1-yl-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethyl]-2-pyridinyl]piperazin-1-yl]ethanone;2-[6-[4-[2-(2-methylphenyl)ethyl]piperazin-1-yl]-3-pyridinyl]-1-[2-piperidin-1-yl-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethanone;1-[2-piperidin-1-yl-4-(trifluoromethyl)-1,3-oxazol-5-yl]-2-[6-[4-[2-[2-(trifluoromethyl)phenyl]acetyl]piperazin-1-yl]-3-pyridinyl]ethanone;1-[2-piperidin-1-yl-4-(trifluoromethyl)-1,3-oxazol-5-yl]-2-[6-[4-[2-(2,4,6-trimethylphenyl)acetyl]piperazin-1-yl]-3-pyridinyl]ethanone.

Molecular Properties

• Compound Name: 2-[cyclopentyl(methyl)amino]-N-[6-[4-[(2-fluorophenyl)carbamoyl]piperazin-1-yl]-3-pyridinyl]-4-(trifluoromethyl)pyrimidine-5-carboxamide;2-(4-methoxyphenyl)-1-[4-[5-[2-oxo-2-[2-piperidin-1-yl-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethyl]-2-pyridinyl]piperazin-1-yl]ethanone;2-[6-[4-[2-(2-methylphenyl)ethyl]piperazin-1-yl]-3-pyridinyl]-1-[2-piperidin-1-yl-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethanone;1-[2-piperidin-1-yl-4-(trifluoromethyl)-1,3-oxazol-5-yl]-2-[6-[4-[2-[2-(trifluoromethyl)phenyl]acetyl]piperazin-1-yl]-3-pyridinyl]ethanone;1-[2-piperidin-1-yl-4-(trifluoromethyl)-1,3-oxazol-5-yl]-2-[6-[4-[2-(2,4,6-trimethylphenyl)acetyl]piperazin-1-yl]-3-pyridinyl]ethanone
• PubChem CID: 123736329
• Molecular Formula: C146H161F19N28O14
• Molecular Weight: 2893.04 g/mol
• Exact Mass: 2891.24
• IUPAC Name: 2-[cyclopentyl(methyl)amino]-N-[6-[4-[(2-fluorophenyl)carbamoyl]piperazin-1-yl]-3-pyridinyl]-4-(trifluoromethyl)pyrimidine-5-carboxamide;2-(4-methoxyphenyl)-1-[4-[5-[2-oxo-2-[2-piperidin-1-yl-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethyl]-2-pyridinyl]piperazin-1-yl]ethanone;2-[6-[4-[2-(2-methylphenyl)ethyl]piperazin-1-yl]-3-pyridinyl]-1-[2-piperidin-1-yl-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethanone;1-[2-piperidin-1-yl-4-(trifluoromethyl)-1,3-oxazol-5-yl]-2-[6-[4-[2-[2-(trifluoromethyl)phenyl]acetyl]piperazin-1-yl]-3-pyridinyl]ethanone;1-[2-piperidin-1-yl-4-(trifluoromethyl)-1,3-oxazol-5-yl]-2-[6-[4-[2-(2,4,6-trimethylphenyl)acetyl]piperazin-1-yl]-3-pyridinyl]ethanone
• SMILES: CN(c1ncc(C(=O)Nc2ccc(N3CCN(C(=O)Nc4ccccc4F)CC3)nc2)c(C(F)(F)F)n1)C1CCCC1.COc1ccc(CC(=O)N2CCN(c3ccc(CC(=O)c4oc(N5CCCCC5)nc4C(F)(F)F)cn3)CC2)cc1.Cc1cc(C)c(CC(=O)N2CCN(c3ccc(CC(=O)c4oc(N5CCCCC5)nc4C(F)(F)F)cn3)CC2)c(C)c1.Cc1ccccc1CCN1CCN(c2ccc(CC(=O)c3oc(N4CCCCC4)nc3C(F)(F)F)cn2)CC1.O=C(Cc1ccc(N2CCN(C(=O)Cc3ccccc3C(F)(F)F)CC2)nc1)c1oc(N2CCCCC2)nc1C(F)(F)F
• InChI: InChI=1S/C31H36F3N5O3.C29H29F6N5O3.C29H32F3N5O4.C29H34F3N5O2.C28H30F4N8O2/c1-20-15-21(2)24(22(3)16-20)18-27(41)38-13-11-37(12-14-38)26-8-7-23(19-35-26)17-25(40)28-29(31(32,33)34)36-30(42-28)39-9-5-4-6-10-39;30-28(31,32)21-7-3-2-6-20(21)17-24(42)39-14-12-38(13-15-39)23-9-8-19(18-36-23)16-22(41)25-26(29(33,34)35)37-27(43-25)40-10-4-1-5-11-40;1-40-22-8-5-20(6-9-22)18-25(39)36-15-13-35(14-16-36)24-10-7-21(19-33-24)17-23(38)26-27(29(30,31)32)34-28(41-26)37-11-3-2-4-12-37;1-21-7-3-4-8-23(21)11-14-35-15-17-36(18-16-35)25-10-9-22(20-33-25)19-24(38)26-27(29(30,31)32)34-28(39-26)37-12-5-2-6-13-37;1-38(19-6-2-3-7-19)26-34-17-20(24(37-26)28(30,31)32)25(41)35-18-10-11-23(33-16-18)39-12-14-40(15-13-39)27(42)36-22-9-5-4-8-21(22)29/h7-8,15-16,19H,4-6,9-14,17-18H2,1-3H3;2-3,6-9,18H,1,4-5,10-17H2;5-10,19H,2-4,11-18H2,1H3;3-4,7-10,20H,2,5-6,11-19H2,1H3;4-5,8-11,16-17,19H,2-3,6-7,12-15H2,1H3,(H,35,41)(H,36,42)
• InChIKey: SDTDDIWYMUONMR-UHFFFAOYSA-N
• XLogP: 25.33
• TPSA: 429.87 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 36
• Rotatable Bonds: 36
• Heavy Atoms: 207
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2893.04
LogP ≤ 5	25.33
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	36

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopentyl(methyl)amino]-N-[6-[4-[(2-fluorophenyl)carbamoyl]piperazin-1-yl]-3-pyridinyl]-4-(trifluoromethyl)pyrimidine-5-carboxamide;2-(4-methoxyphenyl)-1-[4-[5-[2-oxo-2-[2-piperidin-1-yl-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethyl]-2-pyridinyl]piperazin-1-yl]ethanone;2-[6-[4-[2-(2-methylphenyl)ethyl]piperazin-1-yl]-3-pyridinyl]-1-[2-piperidin-1-yl-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethanone;1-[2-piperidin-1-yl-4-(trifluoromethyl)-1,3-oxazol-5-yl]-2-[6-[4-[2-[2-(trifluoromethyl)phenyl]acetyl]piperazin-1-yl]-3-pyridinyl]ethanone;1-[2-piperidin-1-yl-4-(trifluoromethyl)-1,3-oxazol-5-yl]-2-[6-[4-[2-(2,4,6-trimethylphenyl)acetyl]piperazin-1-yl]-3-pyridinyl]ethanone?

The IUPAC name of 2-[cyclopentyl(methyl)amino]-N-[6-[4-[(2-fluorophenyl)carbamoyl]piperazin-1-yl]-3-pyridinyl]-4-(trifluoromethyl)pyrimidine-5-carboxamide;2-(4-methoxyphenyl)-1-[4-[5-[2-oxo-2-[2-piperidin-1-yl-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethyl]-2-pyridinyl]piperazin-1-yl]ethanone;2-[6-[4-[2-(2-methylphenyl)ethyl]piperazin-1-yl]-3-pyridinyl]-1-[2-piperidin-1-yl-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethanone;1-[2-piperidin-1-yl-4-(trifluoromethyl)-1,3-oxazol-5-yl]-2-[6-[4-[2-[2-(trifluoromethyl)phenyl]acetyl]piperazin-1-yl]-3-pyridinyl]ethanone;1-[2-piperidin-1-yl-4-(trifluoromethyl)-1,3-oxazol-5-yl]-2-[6-[4-[2-(2,4,6-trimethylphenyl)acetyl]piperazin-1-yl]-3-pyridinyl]ethanone (CID 123736329) is 2-[cyclopentyl(methyl)amino]-N-[6-[4-[(2-fluorophenyl)carbamoyl]piperazin-1-yl]-3-pyridinyl]-4-(trifluoromethyl)pyrimidine-5-carboxamide;2-(4-methoxyphenyl)-1-[4-[5-[2-oxo-2-[2-piperidin-1-yl-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethyl]-2-pyridinyl]piperazin-1-yl]ethanone;2-[6-[4-[2-(2-methylphenyl)ethyl]piperazin-1-yl]-3-pyridinyl]-1-[2-piperidin-1-yl-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethanone;1-[2-piperidin-1-yl-4-(trifluoromethyl)-1,3-oxazol-5-yl]-2-[6-[4-[2-[2-(trifluoromethyl)phenyl]acetyl]piperazin-1-yl]-3-pyridinyl]ethanone;1-[2-piperidin-1-yl-4-(trifluoromethyl)-1,3-oxazol-5-yl]-2-[6-[4-[2-(2,4,6-trimethylphenyl)acetyl]piperazin-1-yl]-3-pyridinyl]ethanone.

What is the SMILES notation for 2-[cyclopentyl(methyl)amino]-N-[6-[4-[(2-fluorophenyl)carbamoyl]piperazin-1-yl]-3-pyridinyl]-4-(trifluoromethyl)pyrimidine-5-carboxamide;2-(4-methoxyphenyl)-1-[4-[5-[2-oxo-2-[2-piperidin-1-yl-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethyl]-2-pyridinyl]piperazin-1-yl]ethanone;2-[6-[4-[2-(2-methylphenyl)ethyl]piperazin-1-yl]-3-pyridinyl]-1-[2-piperidin-1-yl-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethanone;1-[2-piperidin-1-yl-4-(trifluoromethyl)-1,3-oxazol-5-yl]-2-[6-[4-[2-[2-(trifluoromethyl)phenyl]acetyl]piperazin-1-yl]-3-pyridinyl]ethanone;1-[2-piperidin-1-yl-4-(trifluoromethyl)-1,3-oxazol-5-yl]-2-[6-[4-[2-(2,4,6-trimethylphenyl)acetyl]piperazin-1-yl]-3-pyridinyl]ethanone?

The canonical SMILES for 2-[cyclopentyl(methyl)amino]-N-[6-[4-[(2-fluorophenyl)carbamoyl]piperazin-1-yl]-3-pyridinyl]-4-(trifluoromethyl)pyrimidine-5-carboxamide;2-(4-methoxyphenyl)-1-[4-[5-[2-oxo-2-[2-piperidin-1-yl-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethyl]-2-pyridinyl]piperazin-1-yl]ethanone;2-[6-[4-[2-(2-methylphenyl)ethyl]piperazin-1-yl]-3-pyridinyl]-1-[2-piperidin-1-yl-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethanone;1-[2-piperidin-1-yl-4-(trifluoromethyl)-1,3-oxazol-5-yl]-2-[6-[4-[2-[2-(trifluoromethyl)phenyl]acetyl]piperazin-1-yl]-3-pyridinyl]ethanone;1-[2-piperidin-1-yl-4-(trifluoromethyl)-1,3-oxazol-5-yl]-2-[6-[4-[2-(2,4,6-trimethylphenyl)acetyl]piperazin-1-yl]-3-pyridinyl]ethanone is CN(c1ncc(C(=O)Nc2ccc(N3CCN(C(=O)Nc4ccccc4F)CC3)nc2)c(C(F)(F)F)n1)C1CCCC1.COc1ccc(CC(=O)N2CCN(c3ccc(CC(=O)c4oc(N5CCCCC5)nc4C(F)(F)F)cn3)CC2)cc1.Cc1cc(C)c(CC(=O)N2CCN(c3ccc(CC(=O)c4oc(N5CCCCC5)nc4C(F)(F)F)cn3)CC2)c(C)c1.Cc1ccccc1CCN1CCN(c2ccc(CC(=O)c3oc(N4CCCCC4)nc3C(F)(F)F)cn2)CC1.O=C(Cc1ccc(N2CCN(C(=O)Cc3ccccc3C(F)(F)F)CC2)nc1)c1oc(N2CCCCC2)nc1C(F)(F)F.

What is the InChIKey of 2-[cyclopentyl(methyl)amino]-N-[6-[4-[(2-fluorophenyl)carbamoyl]piperazin-1-yl]-3-pyridinyl]-4-(trifluoromethyl)pyrimidine-5-carboxamide;2-(4-methoxyphenyl)-1-[4-[5-[2-oxo-2-[2-piperidin-1-yl-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethyl]-2-pyridinyl]piperazin-1-yl]ethanone;2-[6-[4-[2-(2-methylphenyl)ethyl]piperazin-1-yl]-3-pyridinyl]-1-[2-piperidin-1-yl-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethanone;1-[2-piperidin-1-yl-4-(trifluoromethyl)-1,3-oxazol-5-yl]-2-[6-[4-[2-[2-(trifluoromethyl)phenyl]acetyl]piperazin-1-yl]-3-pyridinyl]ethanone;1-[2-piperidin-1-yl-4-(trifluoromethyl)-1,3-oxazol-5-yl]-2-[6-[4-[2-(2,4,6-trimethylphenyl)acetyl]piperazin-1-yl]-3-pyridinyl]ethanone?

The InChIKey is SDTDDIWYMUONMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H36F3N5O3.C29H29F6N5O3.C29H32F3N5O4.C29H34F3N5O2.C28H30F4N8O2/c1-20-15-21(2)24(22(3)16-20)18-27(41)38-13-11-37(12-14-38)26-8-7-23(19-35-26)17-25(40)28-29(31(32,33)34)36-30(42-28)39-9-5-4-6-10-39;30-28(31,32)21-7-3-2-6-20(21)17-24(42)39-14-12-38(13-15-39)23-9-8-19(18-36-23)16-22(41)25-26(29(33,34)35)37-27(43-25)40-10-4-1-5-11-40;1-40-22-8-5-20(6-9-22)18-25(39)36-15-13-35(14-16-36)24-10-7-21(19-33-24)17-23(38)26-27(29(30,31)32)34-28(41-26)37-11-3-2-4-12-37;1-21-7-3-4-8-23(21)11-14-35-15-17-36(18-16-35)25-10-9-22(20-33-25)19-24(38)26-27(29(30,31)32)34-28(39-26)37-12-5-2-6-13-37;1-38(19-6-2-3-7-19)26-34-17-20(24(37-26)28(30,31)32)25(41)35-18-10-11-23(33-16-18)39-12-14-40(15-13-39)27(42)36-22-9-5-4-8-21(22)29/h7-8,15-16,19H,4-6,9-14,17-18H2,1-3H3;2-3,6-9,18H,1,4-5,10-17H2;5-10,19H,2-4,11-18H2,1H3;3-4,7-10,20H,2,5-6,11-19H2,1H3;4-5,8-11,16-17,19H,2-3,6-7,12-15H2,1H3,(H,35,41)(H,36,42).

What are the key properties of 2-[cyclopentyl(methyl)amino]-N-[6-[4-[(2-fluorophenyl)carbamoyl]piperazin-1-yl]-3-pyridinyl]-4-(trifluoromethyl)pyrimidine-5-carboxamide;2-(4-methoxyphenyl)-1-[4-[5-[2-oxo-2-[2-piperidin-1-yl-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethyl]-2-pyridinyl]piperazin-1-yl]ethanone;2-[6-[4-[2-(2-methylphenyl)ethyl]piperazin-1-yl]-3-pyridinyl]-1-[2-piperidin-1-yl-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethanone;1-[2-piperidin-1-yl-4-(trifluoromethyl)-1,3-oxazol-5-yl]-2-[6-[4-[2-[2-(trifluoromethyl)phenyl]acetyl]piperazin-1-yl]-3-pyridinyl]ethanone;1-[2-piperidin-1-yl-4-(trifluoromethyl)-1,3-oxazol-5-yl]-2-[6-[4-[2-(2,4,6-trimethylphenyl)acetyl]piperazin-1-yl]-3-pyridinyl]ethanone?

2-[cyclopentyl(methyl)amino]-N-[6-[4-[(2-fluorophenyl)carbamoyl]piperazin-1-yl]-3-pyridinyl]-4-(trifluoromethyl)pyrimidine-5-carboxamide;2-(4-methoxyphenyl)-1-[4-[5-[2-oxo-2-[2-piperidin-1-yl-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethyl]-2-pyridinyl]piperazin-1-yl]ethanone;2-[6-[4-[2-(2-methylphenyl)ethyl]piperazin-1-yl]-3-pyridinyl]-1-[2-piperidin-1-yl-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethanone;1-[2-piperidin-1-yl-4-(trifluoromethyl)-1,3-oxazol-5-yl]-2-[6-[4-[2-[2-(trifluoromethyl)phenyl]acetyl]piperazin-1-yl]-3-pyridinyl]ethanone;1-[2-piperidin-1-yl-4-(trifluoromethyl)-1,3-oxazol-5-yl]-2-[6-[4-[2-(2,4,6-trimethylphenyl)acetyl]piperazin-1-yl]-3-pyridinyl]ethanone has a molecular weight of 2893.04 g/mol, XLogP of 25.33, 36 rotatable bonds, 2 hydrogen bond donors, and 36 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[cyclopentyl(methyl)amino]-N-[6-[4-[(2-fluorophenyl)carbamoyl]piperazin-1-yl]-3-pyridinyl]-4-(trifluoromethyl)pyrimidine-5-carboxamide;2-(4-methoxyphenyl)-1-[4-[5-[2-oxo-2-[2-piperidin-1-yl-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethyl]-2-pyridinyl]piperazin-1-yl]ethanone;2-[6-[4-[2-(2-methylphenyl)ethyl]piperazin-1-yl]-3-pyridinyl]-1-[2-piperidin-1-yl-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethanone;1-[2-piperidin-1-yl-4-(trifluoromethyl)-1,3-oxazol-5-yl]-2-[6-[4-[2-[2-(trifluoromethyl)phenyl]acetyl]piperazin-1-yl]-3-pyridinyl]ethanone;1-[2-piperidin-1-yl-4-(trifluoromethyl)-1,3-oxazol-5-yl]-2-[6-[4-[2-(2,4,6-trimethylphenyl)acetyl]piperazin-1-yl]-3-pyridinyl]ethanone is sourced from PubChem (CID 123736329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).