6-chloro-1-(2-cyclobutylpyrazol-3-yl)-7-(2-fluorophenyl)-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]pyrido[2,3-d]pyrimidin-2-one;16-chloro-3-ethyl-13-fluoro-19-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]-8-oxa-1,4,20,23-tetrazapentacyclo[13.6.2.02,7.09,14.018,22]tricosa-2(7),3,5,9(14),10,12,15,17,19,22-decaen-21-one;6-chloro-7-methyl-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]-1-(2-propan-2-ylphenyl)pyrido[2,3-d]pyrimidin-2-one;6-chloro-7-methyl-4-(4-prop-2-enoylpiperazin-1-yl)-1-[[1-(trifluoromethyl)cyclopropyl]methyl]pyrido[2,3-d]pyrimidin-2-one

C101H100Cl4F5N23O9 — CID 159268509

About 6-chloro-1-(2-cyclobutylpyrazol-3-yl)-7-(2-fluorophenyl)-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]pyrido[2,3-d]pyrimidin-2-one;16-chloro-3-ethyl-13-fluoro-19-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]-8-oxa-1,4,20,23-tetrazapentacyclo[13.6.2.02,7.09,14.018,22]tricosa-2(7),3,5,9(14),10,12,15,17,19,22-decaen-21-one;6-chloro-7-methyl-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]-1-(2-propan-2-ylphenyl)pyrido[2,3-d]pyrimidin-2-one;6-chloro-7-methyl-4-(4-prop-2-enoylpiperazin-1-yl)-1-[[1-(trifluoromethyl)cyclopropyl]methyl]pyrido[2,3-d]pyrimidin-2-one

6-chloro-1-(2-cyclobutylpyrazol-3-yl)-7-(2-fluorophenyl)-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]pyrido[2,3-d]pyrimidin-2-one;16-chloro-3-ethyl-13-fluoro-19-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]-8-oxa-1,4,20,23-tetrazapentacyclo[13.6.2.02,7.09,14.018,22]tricosa-2(7),3,5,9(14),10,12,15,17,19,22-decaen-21-one;6-chloro-7-methyl-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]-1-(2-propan-2-ylphenyl)pyrido[2,3-d]pyrimidin-2-one;6-chloro-7-methyl-4-(4-prop-2-enoylpiperazin-1-yl)-1-[[1-(trifluoromethyl)cyclopropyl]methyl]pyrido[2,3-d]pyrimidin-2-one (PubChem CID 159268509) has the molecular formula C101H100Cl4F5N23O9 and a molecular weight of 2016.86 g/mol. Its IUPAC name is 6-chloro-1-(2-cyclobutylpyrazol-3-yl)-7-(2-fluorophenyl)-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]pyrido[2,3-d]pyrimidin-2-one;16-chloro-3-ethyl-13-fluoro-19-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]-8-oxa-1,4,20,23-tetrazapentacyclo[13.6.2.02,7.09,14.018,22]tricosa-2(7),3,5,9(14),10,12,15,17,19,22-decaen-21-one;6-chloro-7-methyl-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]-1-(2-propan-2-ylphenyl)pyrido[2,3-d]pyrimidin-2-one;6-chloro-7-methyl-4-(4-prop-2-enoylpiperazin-1-yl)-1-[[1-(trifluoromethyl)cyclopropyl]methyl]pyrido[2,3-d]pyrimidin-2-one.

Molecular Properties

• Compound Name: 6-chloro-1-(2-cyclobutylpyrazol-3-yl)-7-(2-fluorophenyl)-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]pyrido[2,3-d]pyrimidin-2-one;16-chloro-3-ethyl-13-fluoro-19-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]-8-oxa-1,4,20,23-tetrazapentacyclo[13.6.2.02,7.09,14.018,22]tricosa-2(7),3,5,9(14),10,12,15,17,19,22-decaen-21-one;6-chloro-7-methyl-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]-1-(2-propan-2-ylphenyl)pyrido[2,3-d]pyrimidin-2-one;6-chloro-7-methyl-4-(4-prop-2-enoylpiperazin-1-yl)-1-[[1-(trifluoromethyl)cyclopropyl]methyl]pyrido[2,3-d]pyrimidin-2-one
• PubChem CID: 159268509
• Molecular Formula: C101H100Cl4F5N23O9
• Molecular Weight: 2016.86 g/mol
• Exact Mass: 2013.67
• IUPAC Name: 6-chloro-1-(2-cyclobutylpyrazol-3-yl)-7-(2-fluorophenyl)-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]pyrido[2,3-d]pyrimidin-2-one;16-chloro-3-ethyl-13-fluoro-19-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]-8-oxa-1,4,20,23-tetrazapentacyclo[13.6.2.02,7.09,14.018,22]tricosa-2(7),3,5,9(14),10,12,15,17,19,22-decaen-21-one;6-chloro-7-methyl-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]-1-(2-propan-2-ylphenyl)pyrido[2,3-d]pyrimidin-2-one;6-chloro-7-methyl-4-(4-prop-2-enoylpiperazin-1-yl)-1-[[1-(trifluoromethyl)cyclopropyl]methyl]pyrido[2,3-d]pyrimidin-2-one
• SMILES: C=CC(=O)N1CCN(c2nc(=O)n(-c3ccccc3C(C)C)c3nc(C)c(Cl)cc23)[C@@H](C)C1.C=CC(=O)N1CCN(c2nc(=O)n(-c3ccnn3C3CCC3)c3nc(-c4ccccc4F)c(Cl)cc23)[C@@H](C)C1.C=CC(=O)N1CCN(c2nc(=O)n(CC3(C(F)(F)F)CC3)c3nc(C)c(Cl)cc23)CC1.C=CC(=O)N1CCN(c2nc(=O)n3c4nc(c(Cl)cc24)c2c(F)cccc2oc2ccnc(CC)c23)[C@@H](C)C1
• InChI: InChI=1S/C28H27ClFN7O2.C28H24ClFN6O3.C25H28ClN5O2.C20H21ClF3N5O2/c1-3-24(38)34-13-14-35(17(2)16-34)26-20-15-21(29)25(19-9-4-5-10-22(19)30)32-27(20)36(28(39)33-26)23-11-12-31-37(23)18-7-6-8-18;1-4-19-25-21(9-10-31-19)39-20-8-6-7-18(30)23(20)24-17(29)13-16-26(33-28(38)36(25)27(16)32-24)35-12-11-34(14-15(35)3)22(37)5-2;1-6-22(32)29-11-12-30(16(4)14-29)23-19-13-20(26)17(5)27-24(19)31(25(33)28-23)21-10-8-7-9-18(21)15(2)3;1-3-15(30)27-6-8-28(9-7-27)16-13-10-14(21)12(2)25-17(13)29(18(31)26-16)11-19(4-5-19)20(22,23)24/h3-5,9-12,15,17-18H,1,6-8,13-14,16H2,2H3;5-10,13,15H,2,4,11-12,14H2,1,3H3;6-10,13,15-16H,1,11-12,14H2,2-5H3;3,10H,1,4-9,11H2,2H3/t17-;15-;16-;/m000./s1
• InChIKey: KXKFALCVHQQTLI-IGVDRRLVSA-N
• XLogP: 16.08
• TPSA: 328.65 Ų
• H-Bond Acceptors: 28
• Rotatable Bonds: 16
• Heavy Atoms: 142
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2016.86
LogP ≤ 5	16.08
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	28

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 6-chloro-1-(2-cyclobutylpyrazol-3-yl)-7-(2-fluorophenyl)-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]pyrido[2,3-d]pyrimidin-2-one;16-chloro-3-ethyl-13-fluoro-19-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]-8-oxa-1,4,20,23-tetrazapentacyclo[13.6.2.02,7.09,14.018,22]tricosa-2(7),3,5,9(14),10,12,15,17,19,22-decaen-21-one;6-chloro-7-methyl-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]-1-(2-propan-2-ylphenyl)pyrido[2,3-d]pyrimidin-2-one;6-chloro-7-methyl-4-(4-prop-2-enoylpiperazin-1-yl)-1-[[1-(trifluoromethyl)cyclopropyl]methyl]pyrido[2,3-d]pyrimidin-2-one?

The IUPAC name of 6-chloro-1-(2-cyclobutylpyrazol-3-yl)-7-(2-fluorophenyl)-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]pyrido[2,3-d]pyrimidin-2-one;16-chloro-3-ethyl-13-fluoro-19-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]-8-oxa-1,4,20,23-tetrazapentacyclo[13.6.2.02,7.09,14.018,22]tricosa-2(7),3,5,9(14),10,12,15,17,19,22-decaen-21-one;6-chloro-7-methyl-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]-1-(2-propan-2-ylphenyl)pyrido[2,3-d]pyrimidin-2-one;6-chloro-7-methyl-4-(4-prop-2-enoylpiperazin-1-yl)-1-[[1-(trifluoromethyl)cyclopropyl]methyl]pyrido[2,3-d]pyrimidin-2-one (CID 159268509) is 6-chloro-1-(2-cyclobutylpyrazol-3-yl)-7-(2-fluorophenyl)-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]pyrido[2,3-d]pyrimidin-2-one;16-chloro-3-ethyl-13-fluoro-19-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]-8-oxa-1,4,20,23-tetrazapentacyclo[13.6.2.02,7.09,14.018,22]tricosa-2(7),3,5,9(14),10,12,15,17,19,22-decaen-21-one;6-chloro-7-methyl-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]-1-(2-propan-2-ylphenyl)pyrido[2,3-d]pyrimidin-2-one;6-chloro-7-methyl-4-(4-prop-2-enoylpiperazin-1-yl)-1-[[1-(trifluoromethyl)cyclopropyl]methyl]pyrido[2,3-d]pyrimidin-2-one.

What is the SMILES notation for 6-chloro-1-(2-cyclobutylpyrazol-3-yl)-7-(2-fluorophenyl)-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]pyrido[2,3-d]pyrimidin-2-one;16-chloro-3-ethyl-13-fluoro-19-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]-8-oxa-1,4,20,23-tetrazapentacyclo[13.6.2.02,7.09,14.018,22]tricosa-2(7),3,5,9(14),10,12,15,17,19,22-decaen-21-one;6-chloro-7-methyl-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]-1-(2-propan-2-ylphenyl)pyrido[2,3-d]pyrimidin-2-one;6-chloro-7-methyl-4-(4-prop-2-enoylpiperazin-1-yl)-1-[[1-(trifluoromethyl)cyclopropyl]methyl]pyrido[2,3-d]pyrimidin-2-one?

The canonical SMILES for 6-chloro-1-(2-cyclobutylpyrazol-3-yl)-7-(2-fluorophenyl)-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]pyrido[2,3-d]pyrimidin-2-one;16-chloro-3-ethyl-13-fluoro-19-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]-8-oxa-1,4,20,23-tetrazapentacyclo[13.6.2.02,7.09,14.018,22]tricosa-2(7),3,5,9(14),10,12,15,17,19,22-decaen-21-one;6-chloro-7-methyl-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]-1-(2-propan-2-ylphenyl)pyrido[2,3-d]pyrimidin-2-one;6-chloro-7-methyl-4-(4-prop-2-enoylpiperazin-1-yl)-1-[[1-(trifluoromethyl)cyclopropyl]methyl]pyrido[2,3-d]pyrimidin-2-one is C=CC(=O)N1CCN(c2nc(=O)n(-c3ccccc3C(C)C)c3nc(C)c(Cl)cc23)[C@@H](C)C1.C=CC(=O)N1CCN(c2nc(=O)n(-c3ccnn3C3CCC3)c3nc(-c4ccccc4F)c(Cl)cc23)[C@@H](C)C1.C=CC(=O)N1CCN(c2nc(=O)n(CC3(C(F)(F)F)CC3)c3nc(C)c(Cl)cc23)CC1.C=CC(=O)N1CCN(c2nc(=O)n3c4nc(c(Cl)cc24)c2c(F)cccc2oc2ccnc(CC)c23)[C@@H](C)C1.

What is the InChIKey of 6-chloro-1-(2-cyclobutylpyrazol-3-yl)-7-(2-fluorophenyl)-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]pyrido[2,3-d]pyrimidin-2-one;16-chloro-3-ethyl-13-fluoro-19-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]-8-oxa-1,4,20,23-tetrazapentacyclo[13.6.2.02,7.09,14.018,22]tricosa-2(7),3,5,9(14),10,12,15,17,19,22-decaen-21-one;6-chloro-7-methyl-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]-1-(2-propan-2-ylphenyl)pyrido[2,3-d]pyrimidin-2-one;6-chloro-7-methyl-4-(4-prop-2-enoylpiperazin-1-yl)-1-[[1-(trifluoromethyl)cyclopropyl]methyl]pyrido[2,3-d]pyrimidin-2-one?

The InChIKey is KXKFALCVHQQTLI-IGVDRRLVSA-N. The full InChI is InChI=1S/C28H27ClFN7O2.C28H24ClFN6O3.C25H28ClN5O2.C20H21ClF3N5O2/c1-3-24(38)34-13-14-35(17(2)16-34)26-20-15-21(29)25(19-9-4-5-10-22(19)30)32-27(20)36(28(39)33-26)23-11-12-31-37(23)18-7-6-8-18;1-4-19-25-21(9-10-31-19)39-20-8-6-7-18(30)23(20)24-17(29)13-16-26(33-28(38)36(25)27(16)32-24)35-12-11-34(14-15(35)3)22(37)5-2;1-6-22(32)29-11-12-30(16(4)14-29)23-19-13-20(26)17(5)27-24(19)31(25(33)28-23)21-10-8-7-9-18(21)15(2)3;1-3-15(30)27-6-8-28(9-7-27)16-13-10-14(21)12(2)25-17(13)29(18(31)26-16)11-19(4-5-19)20(22,23)24/h3-5,9-12,15,17-18H,1,6-8,13-14,16H2,2H3;5-10,13,15H,2,4,11-12,14H2,1,3H3;6-10,13,15-16H,1,11-12,14H2,2-5H3;3,10H,1,4-9,11H2,2H3/t17-;15-;16-;/m000./s1.

What are the key properties of 6-chloro-1-(2-cyclobutylpyrazol-3-yl)-7-(2-fluorophenyl)-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]pyrido[2,3-d]pyrimidin-2-one;16-chloro-3-ethyl-13-fluoro-19-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]-8-oxa-1,4,20,23-tetrazapentacyclo[13.6.2.02,7.09,14.018,22]tricosa-2(7),3,5,9(14),10,12,15,17,19,22-decaen-21-one;6-chloro-7-methyl-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]-1-(2-propan-2-ylphenyl)pyrido[2,3-d]pyrimidin-2-one;6-chloro-7-methyl-4-(4-prop-2-enoylpiperazin-1-yl)-1-[[1-(trifluoromethyl)cyclopropyl]methyl]pyrido[2,3-d]pyrimidin-2-one?

6-chloro-1-(2-cyclobutylpyrazol-3-yl)-7-(2-fluorophenyl)-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]pyrido[2,3-d]pyrimidin-2-one;16-chloro-3-ethyl-13-fluoro-19-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]-8-oxa-1,4,20,23-tetrazapentacyclo[13.6.2.02,7.09,14.018,22]tricosa-2(7),3,5,9(14),10,12,15,17,19,22-decaen-21-one;6-chloro-7-methyl-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]-1-(2-propan-2-ylphenyl)pyrido[2,3-d]pyrimidin-2-one;6-chloro-7-methyl-4-(4-prop-2-enoylpiperazin-1-yl)-1-[[1-(trifluoromethyl)cyclopropyl]methyl]pyrido[2,3-d]pyrimidin-2-one has a molecular weight of 2016.86 g/mol, XLogP of 16.08, 16 rotatable bonds, 0 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for 6-chloro-1-(2-cyclobutylpyrazol-3-yl)-7-(2-fluorophenyl)-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]pyrido[2,3-d]pyrimidin-2-one;16-chloro-3-ethyl-13-fluoro-19-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]-8-oxa-1,4,20,23-tetrazapentacyclo[13.6.2.02,7.09,14.018,22]tricosa-2(7),3,5,9(14),10,12,15,17,19,22-decaen-21-one;6-chloro-7-methyl-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]-1-(2-propan-2-ylphenyl)pyrido[2,3-d]pyrimidin-2-one;6-chloro-7-methyl-4-(4-prop-2-enoylpiperazin-1-yl)-1-[[1-(trifluoromethyl)cyclopropyl]methyl]pyrido[2,3-d]pyrimidin-2-one is sourced from PubChem (CID 159268509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).