4-[[5-bromo-4-[[(1S,2S)-2-(cyclopropylcarbamoyl)cyclopentyl]methyl]pyrimidin-2-yl]amino]-N-methyl-N-(1-methylpiperidin-4-yl)benzamide;4-[[5-bromo-4-[[(1S,2S)-2-[(1-methylcyclopropyl)carbamoyl]cyclopentyl]methyl]pyrimidin-2-yl]amino]-N-methyl-N-(1-methylpiperidin-4-yl)benzamide;4-[[5-bromo-4-[[(1S,2S)-2-(propan-2-ylcarbamoyl)cyclopentyl]methyl]pyrimidin-2-yl]amino]-N-methyl-N-(1-methylpiperidin-4-yl)benzamide;N-methyl-N-(1-methylpiperidin-4-yl)-4-[[4-[[(1S,2S)-2-(propan-2-ylcarbamoyl)cyclobutyl]methyl]-5-(trifluoromethyl)pyrimidin-2-yl]amino]benzamide

C113H152Br3F3N24O8 — CID 159817312

About 4-[[5-bromo-4-[[(1S,2S)-2-(cyclopropylcarbamoyl)cyclopentyl]methyl]pyrimidin-2-yl]amino]-N-methyl-N-(1-methylpiperidin-4-yl)benzamide;4-[[5-bromo-4-[[(1S,2S)-2-[(1-methylcyclopropyl)carbamoyl]cyclopentyl]methyl]pyrimidin-2-yl]amino]-N-methyl-N-(1-methylpiperidin-4-yl)benzamide;4-[[5-bromo-4-[[(1S,2S)-2-(propan-2-ylcarbamoyl)cyclopentyl]methyl]pyrimidin-2-yl]amino]-N-methyl-N-(1-methylpiperidin-4-yl)benzamide;N-methyl-N-(1-methylpiperidin-4-yl)-4-[[4-[[(1S,2S)-2-(propan-2-ylcarbamoyl)cyclobutyl]methyl]-5-(trifluoromethyl)pyrimidin-2-yl]amino]benzamide

4-[[5-bromo-4-[[(1S,2S)-2-(cyclopropylcarbamoyl)cyclopentyl]methyl]pyrimidin-2-yl]amino]-N-methyl-N-(1-methylpiperidin-4-yl)benzamide;4-[[5-bromo-4-[[(1S,2S)-2-[(1-methylcyclopropyl)carbamoyl]cyclopentyl]methyl]pyrimidin-2-yl]amino]-N-methyl-N-(1-methylpiperidin-4-yl)benzamide;4-[[5-bromo-4-[[(1S,2S)-2-(propan-2-ylcarbamoyl)cyclopentyl]methyl]pyrimidin-2-yl]amino]-N-methyl-N-(1-methylpiperidin-4-yl)benzamide;N-methyl-N-(1-methylpiperidin-4-yl)-4-[[4-[[(1S,2S)-2-(propan-2-ylcarbamoyl)cyclobutyl]methyl]-5-(trifluoromethyl)pyrimidin-2-yl]amino]benzamide (PubChem CID 159817312) has the molecular formula C113H152Br3F3N24O8 and a molecular weight of 2271.32 g/mol. Its IUPAC name is 4-[[5-bromo-4-[[(1S,2S)-2-(cyclopropylcarbamoyl)cyclopentyl]methyl]pyrimidin-2-yl]amino]-N-methyl-N-(1-methylpiperidin-4-yl)benzamide;4-[[5-bromo-4-[[(1S,2S)-2-[(1-methylcyclopropyl)carbamoyl]cyclopentyl]methyl]pyrimidin-2-yl]amino]-N-methyl-N-(1-methylpiperidin-4-yl)benzamide;4-[[5-bromo-4-[[(1S,2S)-2-(propan-2-ylcarbamoyl)cyclopentyl]methyl]pyrimidin-2-yl]amino]-N-methyl-N-(1-methylpiperidin-4-yl)benzamide;N-methyl-N-(1-methylpiperidin-4-yl)-4-[[4-[[(1S,2S)-2-(propan-2-ylcarbamoyl)cyclobutyl]methyl]-5-(trifluoromethyl)pyrimidin-2-yl]amino]benzamide.

Molecular Properties

• Compound Name: 4-[[5-bromo-4-[[(1S,2S)-2-(cyclopropylcarbamoyl)cyclopentyl]methyl]pyrimidin-2-yl]amino]-N-methyl-N-(1-methylpiperidin-4-yl)benzamide;4-[[5-bromo-4-[[(1S,2S)-2-[(1-methylcyclopropyl)carbamoyl]cyclopentyl]methyl]pyrimidin-2-yl]amino]-N-methyl-N-(1-methylpiperidin-4-yl)benzamide;4-[[5-bromo-4-[[(1S,2S)-2-(propan-2-ylcarbamoyl)cyclopentyl]methyl]pyrimidin-2-yl]amino]-N-methyl-N-(1-methylpiperidin-4-yl)benzamide;N-methyl-N-(1-methylpiperidin-4-yl)-4-[[4-[[(1S,2S)-2-(propan-2-ylcarbamoyl)cyclobutyl]methyl]-5-(trifluoromethyl)pyrimidin-2-yl]amino]benzamide
• PubChem CID: 159817312
• Molecular Formula: C113H152Br3F3N24O8
• Molecular Weight: 2271.32 g/mol
• Exact Mass: 2266.97
• IUPAC Name: 4-[[5-bromo-4-[[(1S,2S)-2-(cyclopropylcarbamoyl)cyclopentyl]methyl]pyrimidin-2-yl]amino]-N-methyl-N-(1-methylpiperidin-4-yl)benzamide;4-[[5-bromo-4-[[(1S,2S)-2-[(1-methylcyclopropyl)carbamoyl]cyclopentyl]methyl]pyrimidin-2-yl]amino]-N-methyl-N-(1-methylpiperidin-4-yl)benzamide;4-[[5-bromo-4-[[(1S,2S)-2-(propan-2-ylcarbamoyl)cyclopentyl]methyl]pyrimidin-2-yl]amino]-N-methyl-N-(1-methylpiperidin-4-yl)benzamide;N-methyl-N-(1-methylpiperidin-4-yl)-4-[[4-[[(1S,2S)-2-(propan-2-ylcarbamoyl)cyclobutyl]methyl]-5-(trifluoromethyl)pyrimidin-2-yl]amino]benzamide
• SMILES: CC(C)NC(=O)[C@H]1CCC[C@H]1Cc1nc(Nc2ccc(C(=O)N(C)C3CCN(C)CC3)cc2)ncc1Br.CC(C)NC(=O)[C@H]1CC[C@H]1Cc1nc(Nc2ccc(C(=O)N(C)C3CCN(C)CC3)cc2)ncc1C(F)(F)F.CN1CCC(N(C)C(=O)c2ccc(Nc3ncc(Br)c(C[C@@H]4CCC[C@@H]4C(=O)NC4(C)CC4)n3)cc2)CC1.CN1CCC(N(C)C(=O)c2ccc(Nc3ncc(Br)c(C[C@@H]4CCC[C@@H]4C(=O)NC4CC4)n3)cc2)CC1
• InChI: InChI=1S/C29H39BrN6O2.C28H37BrN6O2.C28H39BrN6O2.C28H37F3N6O2/c1-29(13-14-29)34-26(37)23-6-4-5-20(23)17-25-24(30)18-31-28(33-25)32-21-9-7-19(8-10-21)27(38)36(3)22-11-15-35(2)16-12-22;1-34-14-12-22(13-15-34)35(2)27(37)18-6-8-21(9-7-18)32-28-30-17-24(29)25(33-28)16-19-4-3-5-23(19)26(36)31-20-10-11-20;1-18(2)31-26(36)23-7-5-6-20(23)16-25-24(29)17-30-28(33-25)32-21-10-8-19(9-11-21)27(37)35(4)22-12-14-34(3)15-13-22;1-17(2)33-25(38)22-10-7-19(22)15-24-23(28(29,30)31)16-32-27(35-24)34-20-8-5-18(6-9-20)26(39)37(4)21-11-13-36(3)14-12-21/h7-10,18,20,22-23H,4-6,11-17H2,1-3H3,(H,34,37)(H,31,32,33);6-9,17,19-20,22-23H,3-5,10-16H2,1-2H3,(H,31,36)(H,30,32,33);8-11,17-18,20,22-23H,5-7,12-16H2,1-4H3,(H,31,36)(H,30,32,33);5-6,8-9,16-17,19,21-22H,7,10-15H2,1-4H3,(H,33,38)(H,32,34,35)/t20-,23-;19-,23-;20-,23-;19-,22-/m0000/s1
• InChIKey: NLTVGUHOVDDMAW-XOFWKPBRSA-N
• XLogP: 18.29
• TPSA: 361.84 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 24
• Rotatable Bonds: 32
• Heavy Atoms: 151
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2271.32
LogP ≤ 5	18.29
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	24

Frequently Asked Questions

What is the IUPAC name of 4-[[5-bromo-4-[[(1S,2S)-2-(cyclopropylcarbamoyl)cyclopentyl]methyl]pyrimidin-2-yl]amino]-N-methyl-N-(1-methylpiperidin-4-yl)benzamide;4-[[5-bromo-4-[[(1S,2S)-2-[(1-methylcyclopropyl)carbamoyl]cyclopentyl]methyl]pyrimidin-2-yl]amino]-N-methyl-N-(1-methylpiperidin-4-yl)benzamide;4-[[5-bromo-4-[[(1S,2S)-2-(propan-2-ylcarbamoyl)cyclopentyl]methyl]pyrimidin-2-yl]amino]-N-methyl-N-(1-methylpiperidin-4-yl)benzamide;N-methyl-N-(1-methylpiperidin-4-yl)-4-[[4-[[(1S,2S)-2-(propan-2-ylcarbamoyl)cyclobutyl]methyl]-5-(trifluoromethyl)pyrimidin-2-yl]amino]benzamide?

The IUPAC name of 4-[[5-bromo-4-[[(1S,2S)-2-(cyclopropylcarbamoyl)cyclopentyl]methyl]pyrimidin-2-yl]amino]-N-methyl-N-(1-methylpiperidin-4-yl)benzamide;4-[[5-bromo-4-[[(1S,2S)-2-[(1-methylcyclopropyl)carbamoyl]cyclopentyl]methyl]pyrimidin-2-yl]amino]-N-methyl-N-(1-methylpiperidin-4-yl)benzamide;4-[[5-bromo-4-[[(1S,2S)-2-(propan-2-ylcarbamoyl)cyclopentyl]methyl]pyrimidin-2-yl]amino]-N-methyl-N-(1-methylpiperidin-4-yl)benzamide;N-methyl-N-(1-methylpiperidin-4-yl)-4-[[4-[[(1S,2S)-2-(propan-2-ylcarbamoyl)cyclobutyl]methyl]-5-(trifluoromethyl)pyrimidin-2-yl]amino]benzamide (CID 159817312) is 4-[[5-bromo-4-[[(1S,2S)-2-(cyclopropylcarbamoyl)cyclopentyl]methyl]pyrimidin-2-yl]amino]-N-methyl-N-(1-methylpiperidin-4-yl)benzamide;4-[[5-bromo-4-[[(1S,2S)-2-[(1-methylcyclopropyl)carbamoyl]cyclopentyl]methyl]pyrimidin-2-yl]amino]-N-methyl-N-(1-methylpiperidin-4-yl)benzamide;4-[[5-bromo-4-[[(1S,2S)-2-(propan-2-ylcarbamoyl)cyclopentyl]methyl]pyrimidin-2-yl]amino]-N-methyl-N-(1-methylpiperidin-4-yl)benzamide;N-methyl-N-(1-methylpiperidin-4-yl)-4-[[4-[[(1S,2S)-2-(propan-2-ylcarbamoyl)cyclobutyl]methyl]-5-(trifluoromethyl)pyrimidin-2-yl]amino]benzamide.

What is the SMILES notation for 4-[[5-bromo-4-[[(1S,2S)-2-(cyclopropylcarbamoyl)cyclopentyl]methyl]pyrimidin-2-yl]amino]-N-methyl-N-(1-methylpiperidin-4-yl)benzamide;4-[[5-bromo-4-[[(1S,2S)-2-[(1-methylcyclopropyl)carbamoyl]cyclopentyl]methyl]pyrimidin-2-yl]amino]-N-methyl-N-(1-methylpiperidin-4-yl)benzamide;4-[[5-bromo-4-[[(1S,2S)-2-(propan-2-ylcarbamoyl)cyclopentyl]methyl]pyrimidin-2-yl]amino]-N-methyl-N-(1-methylpiperidin-4-yl)benzamide;N-methyl-N-(1-methylpiperidin-4-yl)-4-[[4-[[(1S,2S)-2-(propan-2-ylcarbamoyl)cyclobutyl]methyl]-5-(trifluoromethyl)pyrimidin-2-yl]amino]benzamide?

The canonical SMILES for 4-[[5-bromo-4-[[(1S,2S)-2-(cyclopropylcarbamoyl)cyclopentyl]methyl]pyrimidin-2-yl]amino]-N-methyl-N-(1-methylpiperidin-4-yl)benzamide;4-[[5-bromo-4-[[(1S,2S)-2-[(1-methylcyclopropyl)carbamoyl]cyclopentyl]methyl]pyrimidin-2-yl]amino]-N-methyl-N-(1-methylpiperidin-4-yl)benzamide;4-[[5-bromo-4-[[(1S,2S)-2-(propan-2-ylcarbamoyl)cyclopentyl]methyl]pyrimidin-2-yl]amino]-N-methyl-N-(1-methylpiperidin-4-yl)benzamide;N-methyl-N-(1-methylpiperidin-4-yl)-4-[[4-[[(1S,2S)-2-(propan-2-ylcarbamoyl)cyclobutyl]methyl]-5-(trifluoromethyl)pyrimidin-2-yl]amino]benzamide is CC(C)NC(=O)[C@H]1CCC[C@H]1Cc1nc(Nc2ccc(C(=O)N(C)C3CCN(C)CC3)cc2)ncc1Br.CC(C)NC(=O)[C@H]1CC[C@H]1Cc1nc(Nc2ccc(C(=O)N(C)C3CCN(C)CC3)cc2)ncc1C(F)(F)F.CN1CCC(N(C)C(=O)c2ccc(Nc3ncc(Br)c(C[C@@H]4CCC[C@@H]4C(=O)NC4(C)CC4)n3)cc2)CC1.CN1CCC(N(C)C(=O)c2ccc(Nc3ncc(Br)c(C[C@@H]4CCC[C@@H]4C(=O)NC4CC4)n3)cc2)CC1.

What is the InChIKey of 4-[[5-bromo-4-[[(1S,2S)-2-(cyclopropylcarbamoyl)cyclopentyl]methyl]pyrimidin-2-yl]amino]-N-methyl-N-(1-methylpiperidin-4-yl)benzamide;4-[[5-bromo-4-[[(1S,2S)-2-[(1-methylcyclopropyl)carbamoyl]cyclopentyl]methyl]pyrimidin-2-yl]amino]-N-methyl-N-(1-methylpiperidin-4-yl)benzamide;4-[[5-bromo-4-[[(1S,2S)-2-(propan-2-ylcarbamoyl)cyclopentyl]methyl]pyrimidin-2-yl]amino]-N-methyl-N-(1-methylpiperidin-4-yl)benzamide;N-methyl-N-(1-methylpiperidin-4-yl)-4-[[4-[[(1S,2S)-2-(propan-2-ylcarbamoyl)cyclobutyl]methyl]-5-(trifluoromethyl)pyrimidin-2-yl]amino]benzamide?

The InChIKey is NLTVGUHOVDDMAW-XOFWKPBRSA-N. The full InChI is InChI=1S/C29H39BrN6O2.C28H37BrN6O2.C28H39BrN6O2.C28H37F3N6O2/c1-29(13-14-29)34-26(37)23-6-4-5-20(23)17-25-24(30)18-31-28(33-25)32-21-9-7-19(8-10-21)27(38)36(3)22-11-15-35(2)16-12-22;1-34-14-12-22(13-15-34)35(2)27(37)18-6-8-21(9-7-18)32-28-30-17-24(29)25(33-28)16-19-4-3-5-23(19)26(36)31-20-10-11-20;1-18(2)31-26(36)23-7-5-6-20(23)16-25-24(29)17-30-28(33-25)32-21-10-8-19(9-11-21)27(37)35(4)22-12-14-34(3)15-13-22;1-17(2)33-25(38)22-10-7-19(22)15-24-23(28(29,30)31)16-32-27(35-24)34-20-8-5-18(6-9-20)26(39)37(4)21-11-13-36(3)14-12-21/h7-10,18,20,22-23H,4-6,11-17H2,1-3H3,(H,34,37)(H,31,32,33);6-9,17,19-20,22-23H,3-5,10-16H2,1-2H3,(H,31,36)(H,30,32,33);8-11,17-18,20,22-23H,5-7,12-16H2,1-4H3,(H,31,36)(H,30,32,33);5-6,8-9,16-17,19,21-22H,7,10-15H2,1-4H3,(H,33,38)(H,32,34,35)/t20-,23-;19-,23-;20-,23-;19-,22-/m0000/s1.

What are the key properties of 4-[[5-bromo-4-[[(1S,2S)-2-(cyclopropylcarbamoyl)cyclopentyl]methyl]pyrimidin-2-yl]amino]-N-methyl-N-(1-methylpiperidin-4-yl)benzamide;4-[[5-bromo-4-[[(1S,2S)-2-[(1-methylcyclopropyl)carbamoyl]cyclopentyl]methyl]pyrimidin-2-yl]amino]-N-methyl-N-(1-methylpiperidin-4-yl)benzamide;4-[[5-bromo-4-[[(1S,2S)-2-(propan-2-ylcarbamoyl)cyclopentyl]methyl]pyrimidin-2-yl]amino]-N-methyl-N-(1-methylpiperidin-4-yl)benzamide;N-methyl-N-(1-methylpiperidin-4-yl)-4-[[4-[[(1S,2S)-2-(propan-2-ylcarbamoyl)cyclobutyl]methyl]-5-(trifluoromethyl)pyrimidin-2-yl]amino]benzamide?

4-[[5-bromo-4-[[(1S,2S)-2-(cyclopropylcarbamoyl)cyclopentyl]methyl]pyrimidin-2-yl]amino]-N-methyl-N-(1-methylpiperidin-4-yl)benzamide;4-[[5-bromo-4-[[(1S,2S)-2-[(1-methylcyclopropyl)carbamoyl]cyclopentyl]methyl]pyrimidin-2-yl]amino]-N-methyl-N-(1-methylpiperidin-4-yl)benzamide;4-[[5-bromo-4-[[(1S,2S)-2-(propan-2-ylcarbamoyl)cyclopentyl]methyl]pyrimidin-2-yl]amino]-N-methyl-N-(1-methylpiperidin-4-yl)benzamide;N-methyl-N-(1-methylpiperidin-4-yl)-4-[[4-[[(1S,2S)-2-(propan-2-ylcarbamoyl)cyclobutyl]methyl]-5-(trifluoromethyl)pyrimidin-2-yl]amino]benzamide has a molecular weight of 2271.32 g/mol, XLogP of 18.29, 32 rotatable bonds, 8 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[[5-bromo-4-[[(1S,2S)-2-(cyclopropylcarbamoyl)cyclopentyl]methyl]pyrimidin-2-yl]amino]-N-methyl-N-(1-methylpiperidin-4-yl)benzamide;4-[[5-bromo-4-[[(1S,2S)-2-[(1-methylcyclopropyl)carbamoyl]cyclopentyl]methyl]pyrimidin-2-yl]amino]-N-methyl-N-(1-methylpiperidin-4-yl)benzamide;4-[[5-bromo-4-[[(1S,2S)-2-(propan-2-ylcarbamoyl)cyclopentyl]methyl]pyrimidin-2-yl]amino]-N-methyl-N-(1-methylpiperidin-4-yl)benzamide;N-methyl-N-(1-methylpiperidin-4-yl)-4-[[4-[[(1S,2S)-2-(propan-2-ylcarbamoyl)cyclobutyl]methyl]-5-(trifluoromethyl)pyrimidin-2-yl]amino]benzamide is sourced from PubChem (CID 159817312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).