4-[[5-bromo-4-[[(1S,2S)-2-(cyclobutylcarbamoyl)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;4-[[5-chloro-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-[[5-methyl-4-[[(1S,2S)-2-(propan-2-ylcarbamoyl)cyclopentyl]methyl]pyrimidin-2-yl]amino]benzamide

C114H159Br2ClN24O8 — CID 158252914

About 4-[[5-bromo-4-[[(1S,2S)-2-(cyclobutylcarbamoyl)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;4-[[5-chloro-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-[[5-methyl-4-[[(1S,2S)-2-(propan-2-ylcarbamoyl)cyclopentyl]methyl]pyrimidin-2-yl]amino]benzamide

4-[[5-bromo-4-[[(1S,2S)-2-(cyclobutylcarbamoyl)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;4-[[5-chloro-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-[[5-methyl-4-[[(1S,2S)-2-(propan-2-ylcarbamoyl)cyclopentyl]methyl]pyrimidin-2-yl]amino]benzamide (PubChem CID 158252914) has the molecular formula C114H159Br2ClN24O8 and a molecular weight of 2188.95 g/mol. Its IUPAC name is 4-[[5-bromo-4-[[(1S,2S)-2-(cyclobutylcarbamoyl)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;4-[[5-chloro-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-[[5-methyl-4-[[(1S,2S)-2-(propan-2-ylcarbamoyl)cyclopentyl]methyl]pyrimidin-2-yl]amino]benzamide.

Molecular Properties

• Compound Name: 4-[[5-bromo-4-[[(1S,2S)-2-(cyclobutylcarbamoyl)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;4-[[5-chloro-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-[[5-methyl-4-[[(1S,2S)-2-(propan-2-ylcarbamoyl)cyclopentyl]methyl]pyrimidin-2-yl]amino]benzamide
• PubChem CID: 158252914
• Molecular Formula: C114H159Br2ClN24O8
• Molecular Weight: 2188.95 g/mol
• Exact Mass: 2185.08
• IUPAC Name: 4-[[5-bromo-4-[[(1S,2S)-2-(cyclobutylcarbamoyl)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;4-[[5-chloro-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-[[5-methyl-4-[[(1S,2S)-2-(propan-2-ylcarbamoyl)cyclopentyl]methyl]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]1CCC[C@H]1Cc1nc(Nc2ccc(C(=O)N(C)C3CCN(C)CC3)cc2)ncc1Cl.CN1CCC(N(C)C(=O)c2ccc(Nc3ncc(Br)c(C[C@@H]4CCC[C@@H]4C(=O)NC4CCC4)n3)cc2)CC1.Cc1cnc(Nc2ccc(C(=O)N(C)C3CCN(C)CC3)cc2)nc1C[C@@H]1CCC[C@@H]1C(=O)NC(C)C
• InChI: InChI=1S/C29H39BrN6O2.C29H42N6O2.C28H39BrN6O2.C28H39ClN6O2/c1-35-15-13-23(14-16-35)36(2)28(38)19-9-11-22(12-10-19)33-29-31-18-25(30)26(34-29)17-20-5-3-8-24(20)27(37)32-21-6-4-7-21;1-19(2)31-27(36)25-8-6-7-22(25)17-26-20(3)18-30-29(33-26)32-23-11-9-21(10-12-23)28(37)35(5)24-13-15-34(4)16-14-24;2*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/h9-12,18,20-21,23-24H,3-8,13-17H2,1-2H3,(H,32,37)(H,31,33,34);9-12,18-19,22,24-25H,6-8,13-17H2,1-5H3,(H,31,36)(H,30,32,33);2*8-11,17-18,20,22-23H,5-7,12-16H2,1-4H3,(H,31,36)(H,30,32,33)/t20-,24-;22-,25-;2*20-,23-/m0000/s1
• InChIKey: GGXXNXMDTCLRIK-NKIOYUOMSA-N
• XLogP: 18.11
• TPSA: 361.84 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 24
• Rotatable Bonds: 32
• Heavy Atoms: 149
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2188.95
LogP ≤ 5	18.11
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-(cyclobutylcarbamoyl)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;4-[[5-chloro-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-[[5-methyl-4-[[(1S,2S)-2-(propan-2-ylcarbamoyl)cyclopentyl]methyl]pyrimidin-2-yl]amino]benzamide?

The IUPAC name of 4-[[5-bromo-4-[[(1S,2S)-2-(cyclobutylcarbamoyl)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;4-[[5-chloro-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-[[5-methyl-4-[[(1S,2S)-2-(propan-2-ylcarbamoyl)cyclopentyl]methyl]pyrimidin-2-yl]amino]benzamide (CID 158252914) is 4-[[5-bromo-4-[[(1S,2S)-2-(cyclobutylcarbamoyl)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;4-[[5-chloro-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-[[5-methyl-4-[[(1S,2S)-2-(propan-2-ylcarbamoyl)cyclopentyl]methyl]pyrimidin-2-yl]amino]benzamide.

What is the SMILES notation for 4-[[5-bromo-4-[[(1S,2S)-2-(cyclobutylcarbamoyl)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;4-[[5-chloro-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-[[5-methyl-4-[[(1S,2S)-2-(propan-2-ylcarbamoyl)cyclopentyl]methyl]pyrimidin-2-yl]amino]benzamide?

The canonical SMILES for 4-[[5-bromo-4-[[(1S,2S)-2-(cyclobutylcarbamoyl)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;4-[[5-chloro-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-[[5-methyl-4-[[(1S,2S)-2-(propan-2-ylcarbamoyl)cyclopentyl]methyl]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]1CCC[C@H]1Cc1nc(Nc2ccc(C(=O)N(C)C3CCN(C)CC3)cc2)ncc1Cl.CN1CCC(N(C)C(=O)c2ccc(Nc3ncc(Br)c(C[C@@H]4CCC[C@@H]4C(=O)NC4CCC4)n3)cc2)CC1.Cc1cnc(Nc2ccc(C(=O)N(C)C3CCN(C)CC3)cc2)nc1C[C@@H]1CCC[C@@H]1C(=O)NC(C)C.

What is the InChIKey of 4-[[5-bromo-4-[[(1S,2S)-2-(cyclobutylcarbamoyl)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;4-[[5-chloro-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-[[5-methyl-4-[[(1S,2S)-2-(propan-2-ylcarbamoyl)cyclopentyl]methyl]pyrimidin-2-yl]amino]benzamide?

The InChIKey is GGXXNXMDTCLRIK-NKIOYUOMSA-N. The full InChI is InChI=1S/C29H39BrN6O2.C29H42N6O2.C28H39BrN6O2.C28H39ClN6O2/c1-35-15-13-23(14-16-35)36(2)28(38)19-9-11-22(12-10-19)33-29-31-18-25(30)26(34-29)17-20-5-3-8-24(20)27(37)32-21-6-4-7-21;1-19(2)31-27(36)25-8-6-7-22(25)17-26-20(3)18-30-29(33-26)32-23-11-9-21(10-12-23)28(37)35(5)24-13-15-34(4)16-14-24;2*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/h9-12,18,20-21,23-24H,3-8,13-17H2,1-2H3,(H,32,37)(H,31,33,34);9-12,18-19,22,24-25H,6-8,13-17H2,1-5H3,(H,31,36)(H,30,32,33);2*8-11,17-18,20,22-23H,5-7,12-16H2,1-4H3,(H,31,36)(H,30,32,33)/t20-,24-;22-,25-;2*20-,23-/m0000/s1.

What are the key properties of 4-[[5-bromo-4-[[(1S,2S)-2-(cyclobutylcarbamoyl)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;4-[[5-chloro-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-[[5-methyl-4-[[(1S,2S)-2-(propan-2-ylcarbamoyl)cyclopentyl]methyl]pyrimidin-2-yl]amino]benzamide?

4-[[5-bromo-4-[[(1S,2S)-2-(cyclobutylcarbamoyl)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;4-[[5-chloro-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-[[5-methyl-4-[[(1S,2S)-2-(propan-2-ylcarbamoyl)cyclopentyl]methyl]pyrimidin-2-yl]amino]benzamide has a molecular weight of 2188.95 g/mol, XLogP of 18.11, 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-(cyclobutylcarbamoyl)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;4-[[5-chloro-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-[[5-methyl-4-[[(1S,2S)-2-(propan-2-ylcarbamoyl)cyclopentyl]methyl]pyrimidin-2-yl]amino]benzamide is sourced from PubChem (CID 158252914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).