1-[4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2-propan-2-yl-3-pyridinyl]-4,7-dichloro-6-fluoropyrido[2,3-d]pyrimidin-2-one;7-chloro-6-fluoro-1-[4-(2-hydroxyethyl)-2-propan-2-yl-3-pyridinyl]-4-[(2S)-2-methylpiperidin-1-yl]pyrido[2,3-d]pyrimidin-2-one;16,19-difluoro-11-hydroxy-22-[(2S)-2-methylpiperidin-1-yl]-3-propan-2-yl-10-oxa-1,4,23,26-tetrazapentacyclo[16.6.2.02,7.012,17.021,25]hexacosa-2(7),3,5,12(17),13,15,18,20,22,25-decaen-24-one;(2-fluoro-6-formylphenyl)boronic acid;(2S)-2-methylpiperidine

C89H106BCl3F5N15O10Si — CID 160877177

About 1-[4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2-propan-2-yl-3-pyridinyl]-4,7-dichloro-6-fluoropyrido[2,3-d]pyrimidin-2-one;7-chloro-6-fluoro-1-[4-(2-hydroxyethyl)-2-propan-2-yl-3-pyridinyl]-4-[(2S)-2-methylpiperidin-1-yl]pyrido[2,3-d]pyrimidin-2-one;16,19-difluoro-11-hydroxy-22-[(2S)-2-methylpiperidin-1-yl]-3-propan-2-yl-10-oxa-1,4,23,26-tetrazapentacyclo[16.6.2.02,7.012,17.021,25]hexacosa-2(7),3,5,12(17),13,15,18,20,22,25-decaen-24-one;(2-fluoro-6-formylphenyl)boronic acid;(2S)-2-methylpiperidine

1-[4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2-propan-2-yl-3-pyridinyl]-4,7-dichloro-6-fluoropyrido[2,3-d]pyrimidin-2-one;7-chloro-6-fluoro-1-[4-(2-hydroxyethyl)-2-propan-2-yl-3-pyridinyl]-4-[(2S)-2-methylpiperidin-1-yl]pyrido[2,3-d]pyrimidin-2-one;16,19-difluoro-11-hydroxy-22-[(2S)-2-methylpiperidin-1-yl]-3-propan-2-yl-10-oxa-1,4,23,26-tetrazapentacyclo[16.6.2.02,7.012,17.021,25]hexacosa-2(7),3,5,12(17),13,15,18,20,22,25-decaen-24-one;(2-fluoro-6-formylphenyl)boronic acid;(2S)-2-methylpiperidine (PubChem CID 160877177) has the molecular formula C89H106BCl3F5N15O10Si and a molecular weight of 1786.17 g/mol. Its IUPAC name is 1-[4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2-propan-2-yl-3-pyridinyl]-4,7-dichloro-6-fluoropyrido[2,3-d]pyrimidin-2-one;7-chloro-6-fluoro-1-[4-(2-hydroxyethyl)-2-propan-2-yl-3-pyridinyl]-4-[(2S)-2-methylpiperidin-1-yl]pyrido[2,3-d]pyrimidin-2-one;16,19-difluoro-11-hydroxy-22-[(2S)-2-methylpiperidin-1-yl]-3-propan-2-yl-10-oxa-1,4,23,26-tetrazapentacyclo[16.6.2.02,7.012,17.021,25]hexacosa-2(7),3,5,12(17),13,15,18,20,22,25-decaen-24-one;(2-fluoro-6-formylphenyl)boronic acid;(2S)-2-methylpiperidine.

Molecular Properties

• Compound Name: 1-[4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2-propan-2-yl-3-pyridinyl]-4,7-dichloro-6-fluoropyrido[2,3-d]pyrimidin-2-one;7-chloro-6-fluoro-1-[4-(2-hydroxyethyl)-2-propan-2-yl-3-pyridinyl]-4-[(2S)-2-methylpiperidin-1-yl]pyrido[2,3-d]pyrimidin-2-one;16,19-difluoro-11-hydroxy-22-[(2S)-2-methylpiperidin-1-yl]-3-propan-2-yl-10-oxa-1,4,23,26-tetrazapentacyclo[16.6.2.02,7.012,17.021,25]hexacosa-2(7),3,5,12(17),13,15,18,20,22,25-decaen-24-one;(2-fluoro-6-formylphenyl)boronic acid;(2S)-2-methylpiperidine
• PubChem CID: 160877177
• Molecular Formula: C89H106BCl3F5N15O10Si
• Molecular Weight: 1786.17 g/mol
• Exact Mass: 1783.71
• IUPAC Name: 1-[4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2-propan-2-yl-3-pyridinyl]-4,7-dichloro-6-fluoropyrido[2,3-d]pyrimidin-2-one;7-chloro-6-fluoro-1-[4-(2-hydroxyethyl)-2-propan-2-yl-3-pyridinyl]-4-[(2S)-2-methylpiperidin-1-yl]pyrido[2,3-d]pyrimidin-2-one;16,19-difluoro-11-hydroxy-22-[(2S)-2-methylpiperidin-1-yl]-3-propan-2-yl-10-oxa-1,4,23,26-tetrazapentacyclo[16.6.2.02,7.012,17.021,25]hexacosa-2(7),3,5,12(17),13,15,18,20,22,25-decaen-24-one;(2-fluoro-6-formylphenyl)boronic acid;(2S)-2-methylpiperidine
• SMILES: CC(C)c1nccc(CCO)c1-n1c(=O)nc(N2CCCC[C@@H]2C)c2cc(F)c(Cl)nc21.CC(C)c1nccc(CCO[Si](C)(C)C(C)(C)C)c1-n1c(=O)nc(Cl)c2cc(F)c(Cl)nc21.CC(C)c1nccc2c1-n1c(=O)nc(N3CCCC[C@@H]3C)c3cc(F)c(nc31)-c1c(F)cccc1C(O)OCC2.C[C@H]1CCCCN1.O=Cc1cccc(F)c1B(O)O
• InChI: InChI=1S/C30H31F2N5O3.C23H29Cl2FN4O2Si.C23H27ClFN5O2.C7H6BFO3.C6H13N/c1-16(2)24-26-18(10-12-33-24)11-14-40-29(38)19-8-6-9-21(31)23(19)25-22(32)15-20-27(36-13-5-4-7-17(36)3)35-30(39)37(26)28(20)34-25;1-13(2)17-18(14(8-10-27-17)9-11-32-33(6,7)23(3,4)5)30-21-15(19(24)29-22(30)31)12-16(26)20(25)28-21;1-13(2)18-19(15(8-11-31)7-9-26-18)30-22-16(12-17(25)20(24)27-22)21(28-23(30)32)29-10-5-4-6-14(29)3;9-6-3-1-2-5(4-10)7(6)8(11)12;1-6-4-2-3-5-7-6/h6,8-10,12,15-17,29,38H,4-5,7,11,13-14H2,1-3H3;8,10,12-13H,9,11H2,1-7H3;7,9,12-14,31H,4-6,8,10-11H2,1-3H3;1-4,11-12H;6-7H,2-5H2,1H3/t17-,29?;;14-;;6-/m0.0.0/s1
• InChIKey: SMNXXSHNNDOGGJ-XDLUKBLDSA-N
• XLogP: 15.97
• TPSA: 316.97 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 25
• Rotatable Bonds: 15
• Heavy Atoms: 124
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1786.17
LogP ≤ 5	15.97
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	25

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-[4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2-propan-2-yl-3-pyridinyl]-4,7-dichloro-6-fluoropyrido[2,3-d]pyrimidin-2-one;7-chloro-6-fluoro-1-[4-(2-hydroxyethyl)-2-propan-2-yl-3-pyridinyl]-4-[(2S)-2-methylpiperidin-1-yl]pyrido[2,3-d]pyrimidin-2-one;16,19-difluoro-11-hydroxy-22-[(2S)-2-methylpiperidin-1-yl]-3-propan-2-yl-10-oxa-1,4,23,26-tetrazapentacyclo[16.6.2.02,7.012,17.021,25]hexacosa-2(7),3,5,12(17),13,15,18,20,22,25-decaen-24-one;(2-fluoro-6-formylphenyl)boronic acid;(2S)-2-methylpiperidine?

The IUPAC name of 1-[4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2-propan-2-yl-3-pyridinyl]-4,7-dichloro-6-fluoropyrido[2,3-d]pyrimidin-2-one;7-chloro-6-fluoro-1-[4-(2-hydroxyethyl)-2-propan-2-yl-3-pyridinyl]-4-[(2S)-2-methylpiperidin-1-yl]pyrido[2,3-d]pyrimidin-2-one;16,19-difluoro-11-hydroxy-22-[(2S)-2-methylpiperidin-1-yl]-3-propan-2-yl-10-oxa-1,4,23,26-tetrazapentacyclo[16.6.2.02,7.012,17.021,25]hexacosa-2(7),3,5,12(17),13,15,18,20,22,25-decaen-24-one;(2-fluoro-6-formylphenyl)boronic acid;(2S)-2-methylpiperidine (CID 160877177) is 1-[4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2-propan-2-yl-3-pyridinyl]-4,7-dichloro-6-fluoropyrido[2,3-d]pyrimidin-2-one;7-chloro-6-fluoro-1-[4-(2-hydroxyethyl)-2-propan-2-yl-3-pyridinyl]-4-[(2S)-2-methylpiperidin-1-yl]pyrido[2,3-d]pyrimidin-2-one;16,19-difluoro-11-hydroxy-22-[(2S)-2-methylpiperidin-1-yl]-3-propan-2-yl-10-oxa-1,4,23,26-tetrazapentacyclo[16.6.2.02,7.012,17.021,25]hexacosa-2(7),3,5,12(17),13,15,18,20,22,25-decaen-24-one;(2-fluoro-6-formylphenyl)boronic acid;(2S)-2-methylpiperidine.

What is the SMILES notation for 1-[4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2-propan-2-yl-3-pyridinyl]-4,7-dichloro-6-fluoropyrido[2,3-d]pyrimidin-2-one;7-chloro-6-fluoro-1-[4-(2-hydroxyethyl)-2-propan-2-yl-3-pyridinyl]-4-[(2S)-2-methylpiperidin-1-yl]pyrido[2,3-d]pyrimidin-2-one;16,19-difluoro-11-hydroxy-22-[(2S)-2-methylpiperidin-1-yl]-3-propan-2-yl-10-oxa-1,4,23,26-tetrazapentacyclo[16.6.2.02,7.012,17.021,25]hexacosa-2(7),3,5,12(17),13,15,18,20,22,25-decaen-24-one;(2-fluoro-6-formylphenyl)boronic acid;(2S)-2-methylpiperidine?

The canonical SMILES for 1-[4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2-propan-2-yl-3-pyridinyl]-4,7-dichloro-6-fluoropyrido[2,3-d]pyrimidin-2-one;7-chloro-6-fluoro-1-[4-(2-hydroxyethyl)-2-propan-2-yl-3-pyridinyl]-4-[(2S)-2-methylpiperidin-1-yl]pyrido[2,3-d]pyrimidin-2-one;16,19-difluoro-11-hydroxy-22-[(2S)-2-methylpiperidin-1-yl]-3-propan-2-yl-10-oxa-1,4,23,26-tetrazapentacyclo[16.6.2.02,7.012,17.021,25]hexacosa-2(7),3,5,12(17),13,15,18,20,22,25-decaen-24-one;(2-fluoro-6-formylphenyl)boronic acid;(2S)-2-methylpiperidine is CC(C)c1nccc(CCO)c1-n1c(=O)nc(N2CCCC[C@@H]2C)c2cc(F)c(Cl)nc21.CC(C)c1nccc(CCO[Si](C)(C)C(C)(C)C)c1-n1c(=O)nc(Cl)c2cc(F)c(Cl)nc21.CC(C)c1nccc2c1-n1c(=O)nc(N3CCCC[C@@H]3C)c3cc(F)c(nc31)-c1c(F)cccc1C(O)OCC2.C[C@H]1CCCCN1.O=Cc1cccc(F)c1B(O)O.

What is the InChIKey of 1-[4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2-propan-2-yl-3-pyridinyl]-4,7-dichloro-6-fluoropyrido[2,3-d]pyrimidin-2-one;7-chloro-6-fluoro-1-[4-(2-hydroxyethyl)-2-propan-2-yl-3-pyridinyl]-4-[(2S)-2-methylpiperidin-1-yl]pyrido[2,3-d]pyrimidin-2-one;16,19-difluoro-11-hydroxy-22-[(2S)-2-methylpiperidin-1-yl]-3-propan-2-yl-10-oxa-1,4,23,26-tetrazapentacyclo[16.6.2.02,7.012,17.021,25]hexacosa-2(7),3,5,12(17),13,15,18,20,22,25-decaen-24-one;(2-fluoro-6-formylphenyl)boronic acid;(2S)-2-methylpiperidine?

The InChIKey is SMNXXSHNNDOGGJ-XDLUKBLDSA-N. The full InChI is InChI=1S/C30H31F2N5O3.C23H29Cl2FN4O2Si.C23H27ClFN5O2.C7H6BFO3.C6H13N/c1-16(2)24-26-18(10-12-33-24)11-14-40-29(38)19-8-6-9-21(31)23(19)25-22(32)15-20-27(36-13-5-4-7-17(36)3)35-30(39)37(26)28(20)34-25;1-13(2)17-18(14(8-10-27-17)9-11-32-33(6,7)23(3,4)5)30-21-15(19(24)29-22(30)31)12-16(26)20(25)28-21;1-13(2)18-19(15(8-11-31)7-9-26-18)30-22-16(12-17(25)20(24)27-22)21(28-23(30)32)29-10-5-4-6-14(29)3;9-6-3-1-2-5(4-10)7(6)8(11)12;1-6-4-2-3-5-7-6/h6,8-10,12,15-17,29,38H,4-5,7,11,13-14H2,1-3H3;8,10,12-13H,9,11H2,1-7H3;7,9,12-14,31H,4-6,8,10-11H2,1-3H3;1-4,11-12H;6-7H,2-5H2,1H3/t17-,29?;;14-;;6-/m0.0.0/s1.

What are the key properties of 1-[4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2-propan-2-yl-3-pyridinyl]-4,7-dichloro-6-fluoropyrido[2,3-d]pyrimidin-2-one;7-chloro-6-fluoro-1-[4-(2-hydroxyethyl)-2-propan-2-yl-3-pyridinyl]-4-[(2S)-2-methylpiperidin-1-yl]pyrido[2,3-d]pyrimidin-2-one;16,19-difluoro-11-hydroxy-22-[(2S)-2-methylpiperidin-1-yl]-3-propan-2-yl-10-oxa-1,4,23,26-tetrazapentacyclo[16.6.2.02,7.012,17.021,25]hexacosa-2(7),3,5,12(17),13,15,18,20,22,25-decaen-24-one;(2-fluoro-6-formylphenyl)boronic acid;(2S)-2-methylpiperidine?

1-[4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2-propan-2-yl-3-pyridinyl]-4,7-dichloro-6-fluoropyrido[2,3-d]pyrimidin-2-one;7-chloro-6-fluoro-1-[4-(2-hydroxyethyl)-2-propan-2-yl-3-pyridinyl]-4-[(2S)-2-methylpiperidin-1-yl]pyrido[2,3-d]pyrimidin-2-one;16,19-difluoro-11-hydroxy-22-[(2S)-2-methylpiperidin-1-yl]-3-propan-2-yl-10-oxa-1,4,23,26-tetrazapentacyclo[16.6.2.02,7.012,17.021,25]hexacosa-2(7),3,5,12(17),13,15,18,20,22,25-decaen-24-one;(2-fluoro-6-formylphenyl)boronic acid;(2S)-2-methylpiperidine has a molecular weight of 1786.17 g/mol, XLogP of 15.97, 15 rotatable bonds, 5 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2-propan-2-yl-3-pyridinyl]-4,7-dichloro-6-fluoropyrido[2,3-d]pyrimidin-2-one;7-chloro-6-fluoro-1-[4-(2-hydroxyethyl)-2-propan-2-yl-3-pyridinyl]-4-[(2S)-2-methylpiperidin-1-yl]pyrido[2,3-d]pyrimidin-2-one;16,19-difluoro-11-hydroxy-22-[(2S)-2-methylpiperidin-1-yl]-3-propan-2-yl-10-oxa-1,4,23,26-tetrazapentacyclo[16.6.2.02,7.012,17.021,25]hexacosa-2(7),3,5,12(17),13,15,18,20,22,25-decaen-24-one;(2-fluoro-6-formylphenyl)boronic acid;(2S)-2-methylpiperidine is sourced from PubChem (CID 160877177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).