4-bromobenzoyl chloride;3-bromo-N-cyclopropylbenzamide;3-[2-chloro-4-[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]-N-cyclopropylbenzamide;cyclopropanamine;N-cyclopropyl-3-[4-[(3S)-3-methylmorpholin-4-yl]-2-(4-oxa-7-azaspiro[2.5]octan-7-yl)pyrido[2,3-d]pyrimidin-7-yl]benzamide;bis(N-cyclopropyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide);(3S)-4-(2,7-dichloropyrido[2,3-d]pyrimidin-4-yl)-3-methylmorpholine;4-oxa-7-azaspiro[2.5]octane;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane

C132H166B4Br2Cl4N20O19 — CID 160670215

About 4-bromobenzoyl chloride;3-bromo-N-cyclopropylbenzamide;3-[2-chloro-4-[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]-N-cyclopropylbenzamide;cyclopropanamine;N-cyclopropyl-3-[4-[(3S)-3-methylmorpholin-4-yl]-2-(4-oxa-7-azaspiro[2.5]octan-7-yl)pyrido[2,3-d]pyrimidin-7-yl]benzamide;bis(N-cyclopropyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide);(3S)-4-(2,7-dichloropyrido[2,3-d]pyrimidin-4-yl)-3-methylmorpholine;4-oxa-7-azaspiro[2.5]octane;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane

4-bromobenzoyl chloride;3-bromo-N-cyclopropylbenzamide;3-[2-chloro-4-[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]-N-cyclopropylbenzamide;cyclopropanamine;N-cyclopropyl-3-[4-[(3S)-3-methylmorpholin-4-yl]-2-(4-oxa-7-azaspiro[2.5]octan-7-yl)pyrido[2,3-d]pyrimidin-7-yl]benzamide;bis(N-cyclopropyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide);(3S)-4-(2,7-dichloropyrido[2,3-d]pyrimidin-4-yl)-3-methylmorpholine;4-oxa-7-azaspiro[2.5]octane;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane (PubChem CID 160670215) has the molecular formula C132H166B4Br2Cl4N20O19 and a molecular weight of 2681.77 g/mol. Its IUPAC name is 4-bromobenzoyl chloride;3-bromo-N-cyclopropylbenzamide;3-[2-chloro-4-[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]-N-cyclopropylbenzamide;cyclopropanamine;N-cyclopropyl-3-[4-[(3S)-3-methylmorpholin-4-yl]-2-(4-oxa-7-azaspiro[2.5]octan-7-yl)pyrido[2,3-d]pyrimidin-7-yl]benzamide;bis(N-cyclopropyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide);(3S)-4-(2,7-dichloropyrido[2,3-d]pyrimidin-4-yl)-3-methylmorpholine;4-oxa-7-azaspiro[2.5]octane;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane.

Molecular Properties

• Compound Name: 4-bromobenzoyl chloride;3-bromo-N-cyclopropylbenzamide;3-[2-chloro-4-[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]-N-cyclopropylbenzamide;cyclopropanamine;N-cyclopropyl-3-[4-[(3S)-3-methylmorpholin-4-yl]-2-(4-oxa-7-azaspiro[2.5]octan-7-yl)pyrido[2,3-d]pyrimidin-7-yl]benzamide;bis(N-cyclopropyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide);(3S)-4-(2,7-dichloropyrido[2,3-d]pyrimidin-4-yl)-3-methylmorpholine;4-oxa-7-azaspiro[2.5]octane;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane
• PubChem CID: 160670215
• Molecular Formula: C132H166B4Br2Cl4N20O19
• Molecular Weight: 2681.77 g/mol
• Exact Mass: 2677.01
• IUPAC Name: 4-bromobenzoyl chloride;3-bromo-N-cyclopropylbenzamide;3-[2-chloro-4-[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]-N-cyclopropylbenzamide;cyclopropanamine;N-cyclopropyl-3-[4-[(3S)-3-methylmorpholin-4-yl]-2-(4-oxa-7-azaspiro[2.5]octan-7-yl)pyrido[2,3-d]pyrimidin-7-yl]benzamide;bis(N-cyclopropyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide);(3S)-4-(2,7-dichloropyrido[2,3-d]pyrimidin-4-yl)-3-methylmorpholine;4-oxa-7-azaspiro[2.5]octane;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane
• SMILES: C1COC2(CC2)CN1.CC1(C)OB(B2OC(C)(C)C(C)(C)O2)OC1(C)C.CC1(C)OB(c2cccc(C(=O)NC3CC3)c2)OC1(C)C.CC1(C)OB(c2cccc(C(=O)NC3CC3)c2)OC1(C)C.C[C@H]1COCCN1c1nc(Cl)nc2nc(-c3cccc(C(=O)NC4CC4)c3)ccc12.C[C@H]1COCCN1c1nc(Cl)nc2nc(Cl)ccc12.C[C@H]1COCCN1c1nc(N2CCOC3(CC3)C2)nc2nc(-c3cccc(C(=O)NC4CC4)c3)ccc12.NC1CC1.O=C(Cl)c1ccc(Br)cc1.O=C(NC1CC1)c1cccc(Br)c1
• InChI: InChI=1S/C28H32N6O3.C22H22ClN5O2.2C16H22BNO3.C12H24B2O4.C12H12Cl2N4O.C10H10BrNO.C7H4BrClO.C6H11NO.C3H7N/c1-18-16-36-13-12-34(18)25-22-7-8-23(19-3-2-4-20(15-19)26(35)29-21-5-6-21)30-24(22)31-27(32-25)33-11-14-37-28(17-33)9-10-28;1-13-12-30-10-9-28(13)20-17-7-8-18(25-19(17)26-22(23)27-20)14-3-2-4-15(11-14)21(29)24-16-5-6-16;2*1-15(2)16(3,4)21-17(20-15)12-7-5-6-11(10-12)14(19)18-13-8-9-13;1-9(2)10(3,4)16-13(15-9)14-17-11(5,6)12(7,8)18-14;1-7-6-19-5-4-18(7)11-8-2-3-9(13)15-10(8)16-12(14)17-11;11-8-3-1-2-7(6-8)10(13)12-9-4-5-9;8-6-3-1-5(2-4-6)7(9)10;1-2-6(1)5-7-3-4-8-6;4-3-1-2-3/h2-4,7-8,15,18,21H,5-6,9-14,16-17H2,1H3,(H,29,35);2-4,7-8,11,13,16H,5-6,9-10,12H2,1H3,(H,24,29);2*5-7,10,13H,8-9H2,1-4H3,(H,18,19);1-8H3;2-3,7H,4-6H2,1H3;1-3,6,9H,4-5H2,(H,12,13);1-4H;7H,1-5H2;3H,1-2,4H2/t18-;13-;;;;7-;;;;/m00...0..../s1
• InChIKey: RMVHUQCPMUAOIZ-QKLNLHRDSA-N
• XLogP: 20.62
• TPSA: 449.58 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 34
• Rotatable Bonds: 20
• Heavy Atoms: 181
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2681.77
LogP ≤ 5	20.62
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	34

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-bromobenzoyl chloride;3-bromo-N-cyclopropylbenzamide;3-[2-chloro-4-[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]-N-cyclopropylbenzamide;cyclopropanamine;N-cyclopropyl-3-[4-[(3S)-3-methylmorpholin-4-yl]-2-(4-oxa-7-azaspiro[2.5]octan-7-yl)pyrido[2,3-d]pyrimidin-7-yl]benzamide;bis(N-cyclopropyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide);(3S)-4-(2,7-dichloropyrido[2,3-d]pyrimidin-4-yl)-3-methylmorpholine;4-oxa-7-azaspiro[2.5]octane;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane?

The IUPAC name of 4-bromobenzoyl chloride;3-bromo-N-cyclopropylbenzamide;3-[2-chloro-4-[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]-N-cyclopropylbenzamide;cyclopropanamine;N-cyclopropyl-3-[4-[(3S)-3-methylmorpholin-4-yl]-2-(4-oxa-7-azaspiro[2.5]octan-7-yl)pyrido[2,3-d]pyrimidin-7-yl]benzamide;bis(N-cyclopropyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide);(3S)-4-(2,7-dichloropyrido[2,3-d]pyrimidin-4-yl)-3-methylmorpholine;4-oxa-7-azaspiro[2.5]octane;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane (CID 160670215) is 4-bromobenzoyl chloride;3-bromo-N-cyclopropylbenzamide;3-[2-chloro-4-[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]-N-cyclopropylbenzamide;cyclopropanamine;N-cyclopropyl-3-[4-[(3S)-3-methylmorpholin-4-yl]-2-(4-oxa-7-azaspiro[2.5]octan-7-yl)pyrido[2,3-d]pyrimidin-7-yl]benzamide;bis(N-cyclopropyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide);(3S)-4-(2,7-dichloropyrido[2,3-d]pyrimidin-4-yl)-3-methylmorpholine;4-oxa-7-azaspiro[2.5]octane;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane.

What is the SMILES notation for 4-bromobenzoyl chloride;3-bromo-N-cyclopropylbenzamide;3-[2-chloro-4-[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]-N-cyclopropylbenzamide;cyclopropanamine;N-cyclopropyl-3-[4-[(3S)-3-methylmorpholin-4-yl]-2-(4-oxa-7-azaspiro[2.5]octan-7-yl)pyrido[2,3-d]pyrimidin-7-yl]benzamide;bis(N-cyclopropyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide);(3S)-4-(2,7-dichloropyrido[2,3-d]pyrimidin-4-yl)-3-methylmorpholine;4-oxa-7-azaspiro[2.5]octane;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane?

The canonical SMILES for 4-bromobenzoyl chloride;3-bromo-N-cyclopropylbenzamide;3-[2-chloro-4-[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]-N-cyclopropylbenzamide;cyclopropanamine;N-cyclopropyl-3-[4-[(3S)-3-methylmorpholin-4-yl]-2-(4-oxa-7-azaspiro[2.5]octan-7-yl)pyrido[2,3-d]pyrimidin-7-yl]benzamide;bis(N-cyclopropyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide);(3S)-4-(2,7-dichloropyrido[2,3-d]pyrimidin-4-yl)-3-methylmorpholine;4-oxa-7-azaspiro[2.5]octane;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane is C1COC2(CC2)CN1.CC1(C)OB(B2OC(C)(C)C(C)(C)O2)OC1(C)C.CC1(C)OB(c2cccc(C(=O)NC3CC3)c2)OC1(C)C.CC1(C)OB(c2cccc(C(=O)NC3CC3)c2)OC1(C)C.C[C@H]1COCCN1c1nc(Cl)nc2nc(-c3cccc(C(=O)NC4CC4)c3)ccc12.C[C@H]1COCCN1c1nc(Cl)nc2nc(Cl)ccc12.C[C@H]1COCCN1c1nc(N2CCOC3(CC3)C2)nc2nc(-c3cccc(C(=O)NC4CC4)c3)ccc12.NC1CC1.O=C(Cl)c1ccc(Br)cc1.O=C(NC1CC1)c1cccc(Br)c1.

What is the InChIKey of 4-bromobenzoyl chloride;3-bromo-N-cyclopropylbenzamide;3-[2-chloro-4-[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]-N-cyclopropylbenzamide;cyclopropanamine;N-cyclopropyl-3-[4-[(3S)-3-methylmorpholin-4-yl]-2-(4-oxa-7-azaspiro[2.5]octan-7-yl)pyrido[2,3-d]pyrimidin-7-yl]benzamide;bis(N-cyclopropyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide);(3S)-4-(2,7-dichloropyrido[2,3-d]pyrimidin-4-yl)-3-methylmorpholine;4-oxa-7-azaspiro[2.5]octane;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane?

The InChIKey is RMVHUQCPMUAOIZ-QKLNLHRDSA-N. The full InChI is InChI=1S/C28H32N6O3.C22H22ClN5O2.2C16H22BNO3.C12H24B2O4.C12H12Cl2N4O.C10H10BrNO.C7H4BrClO.C6H11NO.C3H7N/c1-18-16-36-13-12-34(18)25-22-7-8-23(19-3-2-4-20(15-19)26(35)29-21-5-6-21)30-24(22)31-27(32-25)33-11-14-37-28(17-33)9-10-28;1-13-12-30-10-9-28(13)20-17-7-8-18(25-19(17)26-22(23)27-20)14-3-2-4-15(11-14)21(29)24-16-5-6-16;2*1-15(2)16(3,4)21-17(20-15)12-7-5-6-11(10-12)14(19)18-13-8-9-13;1-9(2)10(3,4)16-13(15-9)14-17-11(5,6)12(7,8)18-14;1-7-6-19-5-4-18(7)11-8-2-3-9(13)15-10(8)16-12(14)17-11;11-8-3-1-2-7(6-8)10(13)12-9-4-5-9;8-6-3-1-5(2-4-6)7(9)10;1-2-6(1)5-7-3-4-8-6;4-3-1-2-3/h2-4,7-8,15,18,21H,5-6,9-14,16-17H2,1H3,(H,29,35);2-4,7-8,11,13,16H,5-6,9-10,12H2,1H3,(H,24,29);2*5-7,10,13H,8-9H2,1-4H3,(H,18,19);1-8H3;2-3,7H,4-6H2,1H3;1-3,6,9H,4-5H2,(H,12,13);1-4H;7H,1-5H2;3H,1-2,4H2/t18-;13-;;;;7-;;;;/m00...0..../s1.

What are the key properties of 4-bromobenzoyl chloride;3-bromo-N-cyclopropylbenzamide;3-[2-chloro-4-[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]-N-cyclopropylbenzamide;cyclopropanamine;N-cyclopropyl-3-[4-[(3S)-3-methylmorpholin-4-yl]-2-(4-oxa-7-azaspiro[2.5]octan-7-yl)pyrido[2,3-d]pyrimidin-7-yl]benzamide;bis(N-cyclopropyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide);(3S)-4-(2,7-dichloropyrido[2,3-d]pyrimidin-4-yl)-3-methylmorpholine;4-oxa-7-azaspiro[2.5]octane;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane?

4-bromobenzoyl chloride;3-bromo-N-cyclopropylbenzamide;3-[2-chloro-4-[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]-N-cyclopropylbenzamide;cyclopropanamine;N-cyclopropyl-3-[4-[(3S)-3-methylmorpholin-4-yl]-2-(4-oxa-7-azaspiro[2.5]octan-7-yl)pyrido[2,3-d]pyrimidin-7-yl]benzamide;bis(N-cyclopropyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide);(3S)-4-(2,7-dichloropyrido[2,3-d]pyrimidin-4-yl)-3-methylmorpholine;4-oxa-7-azaspiro[2.5]octane;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane has a molecular weight of 2681.77 g/mol, XLogP of 20.62, 20 rotatable bonds, 7 hydrogen bond donors, and 34 hydrogen bond acceptors.

Where does this data come from?

All data for 4-bromobenzoyl chloride;3-bromo-N-cyclopropylbenzamide;3-[2-chloro-4-[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]-N-cyclopropylbenzamide;cyclopropanamine;N-cyclopropyl-3-[4-[(3S)-3-methylmorpholin-4-yl]-2-(4-oxa-7-azaspiro[2.5]octan-7-yl)pyrido[2,3-d]pyrimidin-7-yl]benzamide;bis(N-cyclopropyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide);(3S)-4-(2,7-dichloropyrido[2,3-d]pyrimidin-4-yl)-3-methylmorpholine;4-oxa-7-azaspiro[2.5]octane;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane is sourced from PubChem (CID 160670215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).