(2R)-N-[4-[2-[4-[4-(cyclobutanecarbonyl)piperazin-1-yl]anilino]pyrimidin-4-yl]phenyl]pyrrolidine-2-carboxamide;N-ethyl-4-[4-[[4-[4-[[(2R)-pyrrolidine-2-carbonyl]amino]phenyl]pyrimidin-2-yl]amino]phenyl]piperazine-1-carboxamide;1-methyl-N-[4-[2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]phenyl]piperidine-2-carboxamide;N-[4-[2-[4-[4-(piperidine-4-carbonyl)piperazin-1-yl]anilino]pyrimidin-4-yl]phenyl]acetamide;(2R)-N-[4-[2-[4-[4-[(2R)-pyrrolidine-2-carbonyl]piperazin-1-yl]anilino]pyrimidin-4-yl]phenyl]pyrrolidine-2-carboxamide;(2R)-N-[4-[2-[4-[4-[(2S)-pyrrolidine-2-carbonyl]piperazin-1-yl]anilino]pyrimidin-4-yl]phenyl]pyrrolidine-2-carboxamide

C173H206N44O12 — CID 159711432

About (2R)-N-[4-[2-[4-[4-(cyclobutanecarbonyl)piperazin-1-yl]anilino]pyrimidin-4-yl]phenyl]pyrrolidine-2-carboxamide;N-ethyl-4-[4-[[4-[4-[[(2R)-pyrrolidine-2-carbonyl]amino]phenyl]pyrimidin-2-yl]amino]phenyl]piperazine-1-carboxamide;1-methyl-N-[4-[2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]phenyl]piperidine-2-carboxamide;N-[4-[2-[4-[4-(piperidine-4-carbonyl)piperazin-1-yl]anilino]pyrimidin-4-yl]phenyl]acetamide;(2R)-N-[4-[2-[4-[4-[(2R)-pyrrolidine-2-carbonyl]piperazin-1-yl]anilino]pyrimidin-4-yl]phenyl]pyrrolidine-2-carboxamide;(2R)-N-[4-[2-[4-[4-[(2S)-pyrrolidine-2-carbonyl]piperazin-1-yl]anilino]pyrimidin-4-yl]phenyl]pyrrolidine-2-carboxamide

(2R)-N-[4-[2-[4-[4-(cyclobutanecarbonyl)piperazin-1-yl]anilino]pyrimidin-4-yl]phenyl]pyrrolidine-2-carboxamide;N-ethyl-4-[4-[[4-[4-[[(2R)-pyrrolidine-2-carbonyl]amino]phenyl]pyrimidin-2-yl]amino]phenyl]piperazine-1-carboxamide;1-methyl-N-[4-[2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]phenyl]piperidine-2-carboxamide;N-[4-[2-[4-[4-(piperidine-4-carbonyl)piperazin-1-yl]anilino]pyrimidin-4-yl]phenyl]acetamide;(2R)-N-[4-[2-[4-[4-[(2R)-pyrrolidine-2-carbonyl]piperazin-1-yl]anilino]pyrimidin-4-yl]phenyl]pyrrolidine-2-carboxamide;(2R)-N-[4-[2-[4-[4-[(2S)-pyrrolidine-2-carbonyl]piperazin-1-yl]anilino]pyrimidin-4-yl]phenyl]pyrrolidine-2-carboxamide (PubChem CID 159711432) has the molecular formula C173H206N44O12 and a molecular weight of 3093.85 g/mol. Its IUPAC name is (2R)-N-[4-[2-[4-[4-(cyclobutanecarbonyl)piperazin-1-yl]anilino]pyrimidin-4-yl]phenyl]pyrrolidine-2-carboxamide;N-ethyl-4-[4-[[4-[4-[[(2R)-pyrrolidine-2-carbonyl]amino]phenyl]pyrimidin-2-yl]amino]phenyl]piperazine-1-carboxamide;1-methyl-N-[4-[2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]phenyl]piperidine-2-carboxamide;N-[4-[2-[4-[4-(piperidine-4-carbonyl)piperazin-1-yl]anilino]pyrimidin-4-yl]phenyl]acetamide;(2R)-N-[4-[2-[4-[4-[(2R)-pyrrolidine-2-carbonyl]piperazin-1-yl]anilino]pyrimidin-4-yl]phenyl]pyrrolidine-2-carboxamide;(2R)-N-[4-[2-[4-[4-[(2S)-pyrrolidine-2-carbonyl]piperazin-1-yl]anilino]pyrimidin-4-yl]phenyl]pyrrolidine-2-carboxamide.

Molecular Properties

• Compound Name: (2R)-N-[4-[2-[4-[4-(cyclobutanecarbonyl)piperazin-1-yl]anilino]pyrimidin-4-yl]phenyl]pyrrolidine-2-carboxamide;N-ethyl-4-[4-[[4-[4-[[(2R)-pyrrolidine-2-carbonyl]amino]phenyl]pyrimidin-2-yl]amino]phenyl]piperazine-1-carboxamide;1-methyl-N-[4-[2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]phenyl]piperidine-2-carboxamide;N-[4-[2-[4-[4-(piperidine-4-carbonyl)piperazin-1-yl]anilino]pyrimidin-4-yl]phenyl]acetamide;(2R)-N-[4-[2-[4-[4-[(2R)-pyrrolidine-2-carbonyl]piperazin-1-yl]anilino]pyrimidin-4-yl]phenyl]pyrrolidine-2-carboxamide;(2R)-N-[4-[2-[4-[4-[(2S)-pyrrolidine-2-carbonyl]piperazin-1-yl]anilino]pyrimidin-4-yl]phenyl]pyrrolidine-2-carboxamide
• PubChem CID: 159711432
• Molecular Formula: C173H206N44O12
• Molecular Weight: 3093.85 g/mol
• Exact Mass: 3091.69
• IUPAC Name: (2R)-N-[4-[2-[4-[4-(cyclobutanecarbonyl)piperazin-1-yl]anilino]pyrimidin-4-yl]phenyl]pyrrolidine-2-carboxamide;N-ethyl-4-[4-[[4-[4-[[(2R)-pyrrolidine-2-carbonyl]amino]phenyl]pyrimidin-2-yl]amino]phenyl]piperazine-1-carboxamide;1-methyl-N-[4-[2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]phenyl]piperidine-2-carboxamide;N-[4-[2-[4-[4-(piperidine-4-carbonyl)piperazin-1-yl]anilino]pyrimidin-4-yl]phenyl]acetamide;(2R)-N-[4-[2-[4-[4-[(2R)-pyrrolidine-2-carbonyl]piperazin-1-yl]anilino]pyrimidin-4-yl]phenyl]pyrrolidine-2-carboxamide;(2R)-N-[4-[2-[4-[4-[(2S)-pyrrolidine-2-carbonyl]piperazin-1-yl]anilino]pyrimidin-4-yl]phenyl]pyrrolidine-2-carboxamide
• SMILES: CC(=O)Nc1ccc(-c2ccnc(Nc3ccc(N4CCN(C(=O)C5CCNCC5)CC4)cc3)n2)cc1.CCNC(=O)N1CCN(c2ccc(Nc3nccc(-c4ccc(NC(=O)[C@H]5CCCN5)cc4)n3)cc2)CC1.CN1CCCCC1C(=O)Nc1ccc(-c2ccnc(Nc3ccc(N4CCOCC4)cc3)n2)cc1.O=C(Nc1ccc(-c2ccnc(Nc3ccc(N4CCN(C(=O)C5CCC5)CC4)cc3)n2)cc1)[C@H]1CCCN1.O=C(Nc1ccc(-c2ccnc(Nc3ccc(N4CCN(C(=O)[C@@H]5CCCN5)CC4)cc3)n2)cc1)[C@H]1CCCN1.O=C(Nc1ccc(-c2ccnc(Nc3ccc(N4CCN(C(=O)[C@H]5CCCN5)CC4)cc3)n2)cc1)[C@H]1CCCN1
• InChI: InChI=1S/2C30H36N8O2.C30H35N7O2.C28H34N8O2.C28H33N7O2.C27H32N6O2/c2*39-28(26-3-1-14-31-26)34-22-7-5-21(6-8-22)25-13-16-33-30(36-25)35-23-9-11-24(12-10-23)37-17-19-38(20-18-37)29(40)27-4-2-15-32-27;38-28(27-5-2-15-31-27)33-23-8-6-21(7-9-23)26-14-16-32-30(35-26)34-24-10-12-25(13-11-24)36-17-19-37(20-18-36)29(39)22-3-1-4-22;1-2-29-28(38)36-18-16-35(17-19-36)23-11-9-22(10-12-23)33-27-31-15-13-24(34-27)20-5-7-21(8-6-20)32-26(37)25-4-3-14-30-25;1-20(36)31-23-4-2-21(3-5-23)26-12-15-30-28(33-26)32-24-6-8-25(9-7-24)34-16-18-35(19-17-34)27(37)22-10-13-29-14-11-22;1-32-15-3-2-4-25(32)26(34)29-21-7-5-20(6-8-21)24-13-14-28-27(31-24)30-22-9-11-23(12-10-22)33-16-18-35-19-17-33/h2*5-13,16,26-27,31-32H,1-4,14-15,17-20H2,(H,34,39)(H,33,35,36);6-14,16,22,27,31H,1-5,15,17-20H2,(H,33,38)(H,32,34,35);5-13,15,25,30H,2-4,14,16-19H2,1H3,(H,29,38)(H,32,37)(H,31,33,34);2-9,12,15,22,29H,10-11,13-14,16-19H2,1H3,(H,31,36)(H,30,32,33);5-14,25H,2-4,15-19H2,1H3,(H,29,34)(H,28,30,31)/t26-,27+;26-,27-;27-;25-;;/m1111../s1
• InChIKey: MYWTXBGJSDTRCD-WUJWHWJRSA-N
• XLogP: 21.05
• TPSA: 631.16 Ų
• H-Bond Donors: 20
• H-Bond Acceptors: 44
• Rotatable Bonds: 40
• Heavy Atoms: 229
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3093.85
LogP ≤ 5	21.05
H-Bond Donors ≤ 5	20
H-Bond Acceptors ≤ 10	44

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[4-[2-[4-[4-(cyclobutanecarbonyl)piperazin-1-yl]anilino]pyrimidin-4-yl]phenyl]pyrrolidine-2-carboxamide;N-ethyl-4-[4-[[4-[4-[[(2R)-pyrrolidine-2-carbonyl]amino]phenyl]pyrimidin-2-yl]amino]phenyl]piperazine-1-carboxamide;1-methyl-N-[4-[2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]phenyl]piperidine-2-carboxamide;N-[4-[2-[4-[4-(piperidine-4-carbonyl)piperazin-1-yl]anilino]pyrimidin-4-yl]phenyl]acetamide;(2R)-N-[4-[2-[4-[4-[(2R)-pyrrolidine-2-carbonyl]piperazin-1-yl]anilino]pyrimidin-4-yl]phenyl]pyrrolidine-2-carboxamide;(2R)-N-[4-[2-[4-[4-[(2S)-pyrrolidine-2-carbonyl]piperazin-1-yl]anilino]pyrimidin-4-yl]phenyl]pyrrolidine-2-carboxamide?

The IUPAC name of (2R)-N-[4-[2-[4-[4-(cyclobutanecarbonyl)piperazin-1-yl]anilino]pyrimidin-4-yl]phenyl]pyrrolidine-2-carboxamide;N-ethyl-4-[4-[[4-[4-[[(2R)-pyrrolidine-2-carbonyl]amino]phenyl]pyrimidin-2-yl]amino]phenyl]piperazine-1-carboxamide;1-methyl-N-[4-[2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]phenyl]piperidine-2-carboxamide;N-[4-[2-[4-[4-(piperidine-4-carbonyl)piperazin-1-yl]anilino]pyrimidin-4-yl]phenyl]acetamide;(2R)-N-[4-[2-[4-[4-[(2R)-pyrrolidine-2-carbonyl]piperazin-1-yl]anilino]pyrimidin-4-yl]phenyl]pyrrolidine-2-carboxamide;(2R)-N-[4-[2-[4-[4-[(2S)-pyrrolidine-2-carbonyl]piperazin-1-yl]anilino]pyrimidin-4-yl]phenyl]pyrrolidine-2-carboxamide (CID 159711432) is (2R)-N-[4-[2-[4-[4-(cyclobutanecarbonyl)piperazin-1-yl]anilino]pyrimidin-4-yl]phenyl]pyrrolidine-2-carboxamide;N-ethyl-4-[4-[[4-[4-[[(2R)-pyrrolidine-2-carbonyl]amino]phenyl]pyrimidin-2-yl]amino]phenyl]piperazine-1-carboxamide;1-methyl-N-[4-[2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]phenyl]piperidine-2-carboxamide;N-[4-[2-[4-[4-(piperidine-4-carbonyl)piperazin-1-yl]anilino]pyrimidin-4-yl]phenyl]acetamide;(2R)-N-[4-[2-[4-[4-[(2R)-pyrrolidine-2-carbonyl]piperazin-1-yl]anilino]pyrimidin-4-yl]phenyl]pyrrolidine-2-carboxamide;(2R)-N-[4-[2-[4-[4-[(2S)-pyrrolidine-2-carbonyl]piperazin-1-yl]anilino]pyrimidin-4-yl]phenyl]pyrrolidine-2-carboxamide.

What is the SMILES notation for (2R)-N-[4-[2-[4-[4-(cyclobutanecarbonyl)piperazin-1-yl]anilino]pyrimidin-4-yl]phenyl]pyrrolidine-2-carboxamide;N-ethyl-4-[4-[[4-[4-[[(2R)-pyrrolidine-2-carbonyl]amino]phenyl]pyrimidin-2-yl]amino]phenyl]piperazine-1-carboxamide;1-methyl-N-[4-[2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]phenyl]piperidine-2-carboxamide;N-[4-[2-[4-[4-(piperidine-4-carbonyl)piperazin-1-yl]anilino]pyrimidin-4-yl]phenyl]acetamide;(2R)-N-[4-[2-[4-[4-[(2R)-pyrrolidine-2-carbonyl]piperazin-1-yl]anilino]pyrimidin-4-yl]phenyl]pyrrolidine-2-carboxamide;(2R)-N-[4-[2-[4-[4-[(2S)-pyrrolidine-2-carbonyl]piperazin-1-yl]anilino]pyrimidin-4-yl]phenyl]pyrrolidine-2-carboxamide?

The canonical SMILES for (2R)-N-[4-[2-[4-[4-(cyclobutanecarbonyl)piperazin-1-yl]anilino]pyrimidin-4-yl]phenyl]pyrrolidine-2-carboxamide;N-ethyl-4-[4-[[4-[4-[[(2R)-pyrrolidine-2-carbonyl]amino]phenyl]pyrimidin-2-yl]amino]phenyl]piperazine-1-carboxamide;1-methyl-N-[4-[2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]phenyl]piperidine-2-carboxamide;N-[4-[2-[4-[4-(piperidine-4-carbonyl)piperazin-1-yl]anilino]pyrimidin-4-yl]phenyl]acetamide;(2R)-N-[4-[2-[4-[4-[(2R)-pyrrolidine-2-carbonyl]piperazin-1-yl]anilino]pyrimidin-4-yl]phenyl]pyrrolidine-2-carboxamide;(2R)-N-[4-[2-[4-[4-[(2S)-pyrrolidine-2-carbonyl]piperazin-1-yl]anilino]pyrimidin-4-yl]phenyl]pyrrolidine-2-carboxamide is CC(=O)Nc1ccc(-c2ccnc(Nc3ccc(N4CCN(C(=O)C5CCNCC5)CC4)cc3)n2)cc1.CCNC(=O)N1CCN(c2ccc(Nc3nccc(-c4ccc(NC(=O)[C@H]5CCCN5)cc4)n3)cc2)CC1.CN1CCCCC1C(=O)Nc1ccc(-c2ccnc(Nc3ccc(N4CCOCC4)cc3)n2)cc1.O=C(Nc1ccc(-c2ccnc(Nc3ccc(N4CCN(C(=O)C5CCC5)CC4)cc3)n2)cc1)[C@H]1CCCN1.O=C(Nc1ccc(-c2ccnc(Nc3ccc(N4CCN(C(=O)[C@@H]5CCCN5)CC4)cc3)n2)cc1)[C@H]1CCCN1.O=C(Nc1ccc(-c2ccnc(Nc3ccc(N4CCN(C(=O)[C@H]5CCCN5)CC4)cc3)n2)cc1)[C@H]1CCCN1.

What is the InChIKey of (2R)-N-[4-[2-[4-[4-(cyclobutanecarbonyl)piperazin-1-yl]anilino]pyrimidin-4-yl]phenyl]pyrrolidine-2-carboxamide;N-ethyl-4-[4-[[4-[4-[[(2R)-pyrrolidine-2-carbonyl]amino]phenyl]pyrimidin-2-yl]amino]phenyl]piperazine-1-carboxamide;1-methyl-N-[4-[2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]phenyl]piperidine-2-carboxamide;N-[4-[2-[4-[4-(piperidine-4-carbonyl)piperazin-1-yl]anilino]pyrimidin-4-yl]phenyl]acetamide;(2R)-N-[4-[2-[4-[4-[(2R)-pyrrolidine-2-carbonyl]piperazin-1-yl]anilino]pyrimidin-4-yl]phenyl]pyrrolidine-2-carboxamide;(2R)-N-[4-[2-[4-[4-[(2S)-pyrrolidine-2-carbonyl]piperazin-1-yl]anilino]pyrimidin-4-yl]phenyl]pyrrolidine-2-carboxamide?

The InChIKey is MYWTXBGJSDTRCD-WUJWHWJRSA-N. The full InChI is InChI=1S/2C30H36N8O2.C30H35N7O2.C28H34N8O2.C28H33N7O2.C27H32N6O2/c2*39-28(26-3-1-14-31-26)34-22-7-5-21(6-8-22)25-13-16-33-30(36-25)35-23-9-11-24(12-10-23)37-17-19-38(20-18-37)29(40)27-4-2-15-32-27;38-28(27-5-2-15-31-27)33-23-8-6-21(7-9-23)26-14-16-32-30(35-26)34-24-10-12-25(13-11-24)36-17-19-37(20-18-36)29(39)22-3-1-4-22;1-2-29-28(38)36-18-16-35(17-19-36)23-11-9-22(10-12-23)33-27-31-15-13-24(34-27)20-5-7-21(8-6-20)32-26(37)25-4-3-14-30-25;1-20(36)31-23-4-2-21(3-5-23)26-12-15-30-28(33-26)32-24-6-8-25(9-7-24)34-16-18-35(19-17-34)27(37)22-10-13-29-14-11-22;1-32-15-3-2-4-25(32)26(34)29-21-7-5-20(6-8-21)24-13-14-28-27(31-24)30-22-9-11-23(12-10-22)33-16-18-35-19-17-33/h2*5-13,16,26-27,31-32H,1-4,14-15,17-20H2,(H,34,39)(H,33,35,36);6-14,16,22,27,31H,1-5,15,17-20H2,(H,33,38)(H,32,34,35);5-13,15,25,30H,2-4,14,16-19H2,1H3,(H,29,38)(H,32,37)(H,31,33,34);2-9,12,15,22,29H,10-11,13-14,16-19H2,1H3,(H,31,36)(H,30,32,33);5-14,25H,2-4,15-19H2,1H3,(H,29,34)(H,28,30,31)/t26-,27+;26-,27-;27-;25-;;/m1111../s1.

What are the key properties of (2R)-N-[4-[2-[4-[4-(cyclobutanecarbonyl)piperazin-1-yl]anilino]pyrimidin-4-yl]phenyl]pyrrolidine-2-carboxamide;N-ethyl-4-[4-[[4-[4-[[(2R)-pyrrolidine-2-carbonyl]amino]phenyl]pyrimidin-2-yl]amino]phenyl]piperazine-1-carboxamide;1-methyl-N-[4-[2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]phenyl]piperidine-2-carboxamide;N-[4-[2-[4-[4-(piperidine-4-carbonyl)piperazin-1-yl]anilino]pyrimidin-4-yl]phenyl]acetamide;(2R)-N-[4-[2-[4-[4-[(2R)-pyrrolidine-2-carbonyl]piperazin-1-yl]anilino]pyrimidin-4-yl]phenyl]pyrrolidine-2-carboxamide;(2R)-N-[4-[2-[4-[4-[(2S)-pyrrolidine-2-carbonyl]piperazin-1-yl]anilino]pyrimidin-4-yl]phenyl]pyrrolidine-2-carboxamide?

(2R)-N-[4-[2-[4-[4-(cyclobutanecarbonyl)piperazin-1-yl]anilino]pyrimidin-4-yl]phenyl]pyrrolidine-2-carboxamide;N-ethyl-4-[4-[[4-[4-[[(2R)-pyrrolidine-2-carbonyl]amino]phenyl]pyrimidin-2-yl]amino]phenyl]piperazine-1-carboxamide;1-methyl-N-[4-[2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]phenyl]piperidine-2-carboxamide;N-[4-[2-[4-[4-(piperidine-4-carbonyl)piperazin-1-yl]anilino]pyrimidin-4-yl]phenyl]acetamide;(2R)-N-[4-[2-[4-[4-[(2R)-pyrrolidine-2-carbonyl]piperazin-1-yl]anilino]pyrimidin-4-yl]phenyl]pyrrolidine-2-carboxamide;(2R)-N-[4-[2-[4-[4-[(2S)-pyrrolidine-2-carbonyl]piperazin-1-yl]anilino]pyrimidin-4-yl]phenyl]pyrrolidine-2-carboxamide has a molecular weight of 3093.85 g/mol, XLogP of 21.05, 40 rotatable bonds, 20 hydrogen bond donors, and 44 hydrogen bond acceptors.

Where does this data come from?

All data for (2R)-N-[4-[2-[4-[4-(cyclobutanecarbonyl)piperazin-1-yl]anilino]pyrimidin-4-yl]phenyl]pyrrolidine-2-carboxamide;N-ethyl-4-[4-[[4-[4-[[(2R)-pyrrolidine-2-carbonyl]amino]phenyl]pyrimidin-2-yl]amino]phenyl]piperazine-1-carboxamide;1-methyl-N-[4-[2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]phenyl]piperidine-2-carboxamide;N-[4-[2-[4-[4-(piperidine-4-carbonyl)piperazin-1-yl]anilino]pyrimidin-4-yl]phenyl]acetamide;(2R)-N-[4-[2-[4-[4-[(2R)-pyrrolidine-2-carbonyl]piperazin-1-yl]anilino]pyrimidin-4-yl]phenyl]pyrrolidine-2-carboxamide;(2R)-N-[4-[2-[4-[4-[(2S)-pyrrolidine-2-carbonyl]piperazin-1-yl]anilino]pyrimidin-4-yl]phenyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 159711432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).