N-[4-[2-[4-[4-(cyclobutanecarbonyl)piperazin-1-yl]anilino]pyrimidin-4-yl]phenyl]oxolane-3-carboxamide;ethyl 3-[4-[2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]anilino]-3-oxopropanoate;N-ethyl-4-[4-[[4-[4-(oxolane-3-carbonylamino)phenyl]pyrimidin-2-yl]amino]phenyl]piperazine-1-carboxamide;N-[4-[2-[4-[4-(2-methylpropanoyl)piperazin-1-yl]anilino]pyrimidin-4-yl]phenyl]oxolane-3-carboxamide

C112H128N24O13 — CID 157272302

About N-[4-[2-[4-[4-(cyclobutanecarbonyl)piperazin-1-yl]anilino]pyrimidin-4-yl]phenyl]oxolane-3-carboxamide;ethyl 3-[4-[2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]anilino]-3-oxopropanoate;N-ethyl-4-[4-[[4-[4-(oxolane-3-carbonylamino)phenyl]pyrimidin-2-yl]amino]phenyl]piperazine-1-carboxamide;N-[4-[2-[4-[4-(2-methylpropanoyl)piperazin-1-yl]anilino]pyrimidin-4-yl]phenyl]oxolane-3-carboxamide

N-[4-[2-[4-[4-(cyclobutanecarbonyl)piperazin-1-yl]anilino]pyrimidin-4-yl]phenyl]oxolane-3-carboxamide;ethyl 3-[4-[2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]anilino]-3-oxopropanoate;N-ethyl-4-[4-[[4-[4-(oxolane-3-carbonylamino)phenyl]pyrimidin-2-yl]amino]phenyl]piperazine-1-carboxamide;N-[4-[2-[4-[4-(2-methylpropanoyl)piperazin-1-yl]anilino]pyrimidin-4-yl]phenyl]oxolane-3-carboxamide (PubChem CID 157272302) has the molecular formula C112H128N24O13 and a molecular weight of 2018.41 g/mol. Its IUPAC name is N-[4-[2-[4-[4-(cyclobutanecarbonyl)piperazin-1-yl]anilino]pyrimidin-4-yl]phenyl]oxolane-3-carboxamide;ethyl 3-[4-[2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]anilino]-3-oxopropanoate;N-ethyl-4-[4-[[4-[4-(oxolane-3-carbonylamino)phenyl]pyrimidin-2-yl]amino]phenyl]piperazine-1-carboxamide;N-[4-[2-[4-[4-(2-methylpropanoyl)piperazin-1-yl]anilino]pyrimidin-4-yl]phenyl]oxolane-3-carboxamide.

Molecular Properties

• Compound Name: N-[4-[2-[4-[4-(cyclobutanecarbonyl)piperazin-1-yl]anilino]pyrimidin-4-yl]phenyl]oxolane-3-carboxamide;ethyl 3-[4-[2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]anilino]-3-oxopropanoate;N-ethyl-4-[4-[[4-[4-(oxolane-3-carbonylamino)phenyl]pyrimidin-2-yl]amino]phenyl]piperazine-1-carboxamide;N-[4-[2-[4-[4-(2-methylpropanoyl)piperazin-1-yl]anilino]pyrimidin-4-yl]phenyl]oxolane-3-carboxamide
• PubChem CID: 157272302
• Molecular Formula: C112H128N24O13
• Molecular Weight: 2018.41 g/mol
• Exact Mass: 2017.01
• IUPAC Name: N-[4-[2-[4-[4-(cyclobutanecarbonyl)piperazin-1-yl]anilino]pyrimidin-4-yl]phenyl]oxolane-3-carboxamide;ethyl 3-[4-[2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]anilino]-3-oxopropanoate;N-ethyl-4-[4-[[4-[4-(oxolane-3-carbonylamino)phenyl]pyrimidin-2-yl]amino]phenyl]piperazine-1-carboxamide;N-[4-[2-[4-[4-(2-methylpropanoyl)piperazin-1-yl]anilino]pyrimidin-4-yl]phenyl]oxolane-3-carboxamide
• SMILES: CC(C)C(=O)N1CCN(c2ccc(Nc3nccc(-c4ccc(NC(=O)C5CCOC5)cc4)n3)cc2)CC1.CCNC(=O)N1CCN(c2ccc(Nc3nccc(-c4ccc(NC(=O)C5CCOC5)cc4)n3)cc2)CC1.CCOC(=O)CC(=O)Nc1ccc(-c2ccnc(Nc3ccc(N4CCOCC4)cc3)n2)cc1.O=C(Nc1ccc(-c2ccnc(Nc3ccc(N4CCN(C(=O)C5CCC5)CC4)cc3)n2)cc1)C1CCOC1
• InChI: InChI=1S/C30H34N6O3.C29H34N6O3.C28H33N7O3.C25H27N5O4/c37-28(23-13-19-39-20-23)32-24-6-4-21(5-7-24)27-12-14-31-30(34-27)33-25-8-10-26(11-9-25)35-15-17-36(18-16-35)29(38)22-2-1-3-22;1-20(2)28(37)35-16-14-34(15-17-35)25-9-7-24(8-10-25)32-29-30-13-11-26(33-29)21-3-5-23(6-4-21)31-27(36)22-12-18-38-19-22;1-2-29-28(37)35-16-14-34(15-17-35)24-9-7-23(8-10-24)32-27-30-13-11-25(33-27)20-3-5-22(6-4-20)31-26(36)21-12-18-38-19-21;1-2-34-24(32)17-23(31)27-19-5-3-18(4-6-19)22-11-12-26-25(29-22)28-20-7-9-21(10-8-20)30-13-15-33-16-14-30/h4-12,14,22-23H,1-3,13,15-20H2,(H,32,37)(H,31,33,34);3-11,13,20,22H,12,14-19H2,1-2H3,(H,31,36)(H,30,32,33);3-11,13,21H,2,12,14-19H2,1H3,(H,29,37)(H,31,36)(H,30,32,33);3-12H,2,13-17H2,1H3,(H,27,31)(H,26,28,29)
• InChIKey: AYRKMQPIKVIFKF-UHFFFAOYSA-N
• XLogP: 15.81
• TPSA: 416.78 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 29
• Rotatable Bonds: 29
• Heavy Atoms: 149
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2018.41
LogP ≤ 5	15.81
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	29

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-[4-[4-(cyclobutanecarbonyl)piperazin-1-yl]anilino]pyrimidin-4-yl]phenyl]oxolane-3-carboxamide;ethyl 3-[4-[2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]anilino]-3-oxopropanoate;N-ethyl-4-[4-[[4-[4-(oxolane-3-carbonylamino)phenyl]pyrimidin-2-yl]amino]phenyl]piperazine-1-carboxamide;N-[4-[2-[4-[4-(2-methylpropanoyl)piperazin-1-yl]anilino]pyrimidin-4-yl]phenyl]oxolane-3-carboxamide?

The IUPAC name of N-[4-[2-[4-[4-(cyclobutanecarbonyl)piperazin-1-yl]anilino]pyrimidin-4-yl]phenyl]oxolane-3-carboxamide;ethyl 3-[4-[2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]anilino]-3-oxopropanoate;N-ethyl-4-[4-[[4-[4-(oxolane-3-carbonylamino)phenyl]pyrimidin-2-yl]amino]phenyl]piperazine-1-carboxamide;N-[4-[2-[4-[4-(2-methylpropanoyl)piperazin-1-yl]anilino]pyrimidin-4-yl]phenyl]oxolane-3-carboxamide (CID 157272302) is N-[4-[2-[4-[4-(cyclobutanecarbonyl)piperazin-1-yl]anilino]pyrimidin-4-yl]phenyl]oxolane-3-carboxamide;ethyl 3-[4-[2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]anilino]-3-oxopropanoate;N-ethyl-4-[4-[[4-[4-(oxolane-3-carbonylamino)phenyl]pyrimidin-2-yl]amino]phenyl]piperazine-1-carboxamide;N-[4-[2-[4-[4-(2-methylpropanoyl)piperazin-1-yl]anilino]pyrimidin-4-yl]phenyl]oxolane-3-carboxamide.

What is the SMILES notation for N-[4-[2-[4-[4-(cyclobutanecarbonyl)piperazin-1-yl]anilino]pyrimidin-4-yl]phenyl]oxolane-3-carboxamide;ethyl 3-[4-[2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]anilino]-3-oxopropanoate;N-ethyl-4-[4-[[4-[4-(oxolane-3-carbonylamino)phenyl]pyrimidin-2-yl]amino]phenyl]piperazine-1-carboxamide;N-[4-[2-[4-[4-(2-methylpropanoyl)piperazin-1-yl]anilino]pyrimidin-4-yl]phenyl]oxolane-3-carboxamide?

The canonical SMILES for N-[4-[2-[4-[4-(cyclobutanecarbonyl)piperazin-1-yl]anilino]pyrimidin-4-yl]phenyl]oxolane-3-carboxamide;ethyl 3-[4-[2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]anilino]-3-oxopropanoate;N-ethyl-4-[4-[[4-[4-(oxolane-3-carbonylamino)phenyl]pyrimidin-2-yl]amino]phenyl]piperazine-1-carboxamide;N-[4-[2-[4-[4-(2-methylpropanoyl)piperazin-1-yl]anilino]pyrimidin-4-yl]phenyl]oxolane-3-carboxamide is CC(C)C(=O)N1CCN(c2ccc(Nc3nccc(-c4ccc(NC(=O)C5CCOC5)cc4)n3)cc2)CC1.CCNC(=O)N1CCN(c2ccc(Nc3nccc(-c4ccc(NC(=O)C5CCOC5)cc4)n3)cc2)CC1.CCOC(=O)CC(=O)Nc1ccc(-c2ccnc(Nc3ccc(N4CCOCC4)cc3)n2)cc1.O=C(Nc1ccc(-c2ccnc(Nc3ccc(N4CCN(C(=O)C5CCC5)CC4)cc3)n2)cc1)C1CCOC1.

What is the InChIKey of N-[4-[2-[4-[4-(cyclobutanecarbonyl)piperazin-1-yl]anilino]pyrimidin-4-yl]phenyl]oxolane-3-carboxamide;ethyl 3-[4-[2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]anilino]-3-oxopropanoate;N-ethyl-4-[4-[[4-[4-(oxolane-3-carbonylamino)phenyl]pyrimidin-2-yl]amino]phenyl]piperazine-1-carboxamide;N-[4-[2-[4-[4-(2-methylpropanoyl)piperazin-1-yl]anilino]pyrimidin-4-yl]phenyl]oxolane-3-carboxamide?

The InChIKey is AYRKMQPIKVIFKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H34N6O3.C29H34N6O3.C28H33N7O3.C25H27N5O4/c37-28(23-13-19-39-20-23)32-24-6-4-21(5-7-24)27-12-14-31-30(34-27)33-25-8-10-26(11-9-25)35-15-17-36(18-16-35)29(38)22-2-1-3-22;1-20(2)28(37)35-16-14-34(15-17-35)25-9-7-24(8-10-25)32-29-30-13-11-26(33-29)21-3-5-23(6-4-21)31-27(36)22-12-18-38-19-22;1-2-29-28(37)35-16-14-34(15-17-35)24-9-7-23(8-10-24)32-27-30-13-11-25(33-27)20-3-5-22(6-4-20)31-26(36)21-12-18-38-19-21;1-2-34-24(32)17-23(31)27-19-5-3-18(4-6-19)22-11-12-26-25(29-22)28-20-7-9-21(10-8-20)30-13-15-33-16-14-30/h4-12,14,22-23H,1-3,13,15-20H2,(H,32,37)(H,31,33,34);3-11,13,20,22H,12,14-19H2,1-2H3,(H,31,36)(H,30,32,33);3-11,13,21H,2,12,14-19H2,1H3,(H,29,37)(H,31,36)(H,30,32,33);3-12H,2,13-17H2,1H3,(H,27,31)(H,26,28,29).

What are the key properties of N-[4-[2-[4-[4-(cyclobutanecarbonyl)piperazin-1-yl]anilino]pyrimidin-4-yl]phenyl]oxolane-3-carboxamide;ethyl 3-[4-[2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]anilino]-3-oxopropanoate;N-ethyl-4-[4-[[4-[4-(oxolane-3-carbonylamino)phenyl]pyrimidin-2-yl]amino]phenyl]piperazine-1-carboxamide;N-[4-[2-[4-[4-(2-methylpropanoyl)piperazin-1-yl]anilino]pyrimidin-4-yl]phenyl]oxolane-3-carboxamide?

N-[4-[2-[4-[4-(cyclobutanecarbonyl)piperazin-1-yl]anilino]pyrimidin-4-yl]phenyl]oxolane-3-carboxamide;ethyl 3-[4-[2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]anilino]-3-oxopropanoate;N-ethyl-4-[4-[[4-[4-(oxolane-3-carbonylamino)phenyl]pyrimidin-2-yl]amino]phenyl]piperazine-1-carboxamide;N-[4-[2-[4-[4-(2-methylpropanoyl)piperazin-1-yl]anilino]pyrimidin-4-yl]phenyl]oxolane-3-carboxamide has a molecular weight of 2018.41 g/mol, XLogP of 15.81, 29 rotatable bonds, 9 hydrogen bond donors, and 29 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[2-[4-[4-(cyclobutanecarbonyl)piperazin-1-yl]anilino]pyrimidin-4-yl]phenyl]oxolane-3-carboxamide;ethyl 3-[4-[2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]anilino]-3-oxopropanoate;N-ethyl-4-[4-[[4-[4-(oxolane-3-carbonylamino)phenyl]pyrimidin-2-yl]amino]phenyl]piperazine-1-carboxamide;N-[4-[2-[4-[4-(2-methylpropanoyl)piperazin-1-yl]anilino]pyrimidin-4-yl]phenyl]oxolane-3-carboxamide is sourced from PubChem (CID 157272302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).