6-chloro-1-(3-cyclopropyl-2-pyridinyl)-7-(2-fluorophenyl)-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]pyrido[2,3-d]pyrimidin-2-one;6-chloro-4-[(2R,6R)-2,6-dimethyl-4-prop-2-enoylpiperazin-1-yl]-1-[4,6-di(propan-2-yl)pyrimidin-5-yl]-7-(2-fluorophenyl)pyrido[2,3-d]pyrimidin-2-one;6-chloro-1-(4-ethyl-1,3-thiazol-5-yl)-7-(2-fluoro-6-hydroxyphenyl)-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]pyrido[2,3-d]pyrimidin-2-one;6-chloro-7-(2-fluorophenyl)-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-4-[(1R,5S)-3-prop-2-enoyl-3,8-diazabicyclo[3.2.1]octan-8-yl]pyrido[2,3-d]pyrimidin-2-one

C118H115Cl4F4N25O9S — CID 158433821

About 6-chloro-1-(3-cyclopropyl-2-pyridinyl)-7-(2-fluorophenyl)-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]pyrido[2,3-d]pyrimidin-2-one;6-chloro-4-[(2R,6R)-2,6-dimethyl-4-prop-2-enoylpiperazin-1-yl]-1-[4,6-di(propan-2-yl)pyrimidin-5-yl]-7-(2-fluorophenyl)pyrido[2,3-d]pyrimidin-2-one;6-chloro-1-(4-ethyl-1,3-thiazol-5-yl)-7-(2-fluoro-6-hydroxyphenyl)-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]pyrido[2,3-d]pyrimidin-2-one;6-chloro-7-(2-fluorophenyl)-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-4-[(1R,5S)-3-prop-2-enoyl-3,8-diazabicyclo[3.2.1]octan-8-yl]pyrido[2,3-d]pyrimidin-2-one

6-chloro-1-(3-cyclopropyl-2-pyridinyl)-7-(2-fluorophenyl)-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]pyrido[2,3-d]pyrimidin-2-one;6-chloro-4-[(2R,6R)-2,6-dimethyl-4-prop-2-enoylpiperazin-1-yl]-1-[4,6-di(propan-2-yl)pyrimidin-5-yl]-7-(2-fluorophenyl)pyrido[2,3-d]pyrimidin-2-one;6-chloro-1-(4-ethyl-1,3-thiazol-5-yl)-7-(2-fluoro-6-hydroxyphenyl)-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]pyrido[2,3-d]pyrimidin-2-one;6-chloro-7-(2-fluorophenyl)-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-4-[(1R,5S)-3-prop-2-enoyl-3,8-diazabicyclo[3.2.1]octan-8-yl]pyrido[2,3-d]pyrimidin-2-one (PubChem CID 158433821) has the molecular formula C118H115Cl4F4N25O9S and a molecular weight of 2277.25 g/mol. Its IUPAC name is 6-chloro-1-(3-cyclopropyl-2-pyridinyl)-7-(2-fluorophenyl)-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]pyrido[2,3-d]pyrimidin-2-one;6-chloro-4-[(2R,6R)-2,6-dimethyl-4-prop-2-enoylpiperazin-1-yl]-1-[4,6-di(propan-2-yl)pyrimidin-5-yl]-7-(2-fluorophenyl)pyrido[2,3-d]pyrimidin-2-one;6-chloro-1-(4-ethyl-1,3-thiazol-5-yl)-7-(2-fluoro-6-hydroxyphenyl)-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]pyrido[2,3-d]pyrimidin-2-one;6-chloro-7-(2-fluorophenyl)-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-4-[(1R,5S)-3-prop-2-enoyl-3,8-diazabicyclo[3.2.1]octan-8-yl]pyrido[2,3-d]pyrimidin-2-one.

Molecular Properties

• Compound Name: 6-chloro-1-(3-cyclopropyl-2-pyridinyl)-7-(2-fluorophenyl)-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]pyrido[2,3-d]pyrimidin-2-one;6-chloro-4-[(2R,6R)-2,6-dimethyl-4-prop-2-enoylpiperazin-1-yl]-1-[4,6-di(propan-2-yl)pyrimidin-5-yl]-7-(2-fluorophenyl)pyrido[2,3-d]pyrimidin-2-one;6-chloro-1-(4-ethyl-1,3-thiazol-5-yl)-7-(2-fluoro-6-hydroxyphenyl)-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]pyrido[2,3-d]pyrimidin-2-one;6-chloro-7-(2-fluorophenyl)-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-4-[(1R,5S)-3-prop-2-enoyl-3,8-diazabicyclo[3.2.1]octan-8-yl]pyrido[2,3-d]pyrimidin-2-one
• PubChem CID: 158433821
• Molecular Formula: C118H115Cl4F4N25O9S
• Molecular Weight: 2277.25 g/mol
• Exact Mass: 2273.77
• IUPAC Name: 6-chloro-1-(3-cyclopropyl-2-pyridinyl)-7-(2-fluorophenyl)-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]pyrido[2,3-d]pyrimidin-2-one;6-chloro-4-[(2R,6R)-2,6-dimethyl-4-prop-2-enoylpiperazin-1-yl]-1-[4,6-di(propan-2-yl)pyrimidin-5-yl]-7-(2-fluorophenyl)pyrido[2,3-d]pyrimidin-2-one;6-chloro-1-(4-ethyl-1,3-thiazol-5-yl)-7-(2-fluoro-6-hydroxyphenyl)-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]pyrido[2,3-d]pyrimidin-2-one;6-chloro-7-(2-fluorophenyl)-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-4-[(1R,5S)-3-prop-2-enoyl-3,8-diazabicyclo[3.2.1]octan-8-yl]pyrido[2,3-d]pyrimidin-2-one
• SMILES: C=CC(=O)N1CCN(c2nc(=O)n(-c3ncccc3C3CC3)c3nc(-c4ccccc4F)c(Cl)cc23)[C@@H](C)C1.C=CC(=O)N1CCN(c2nc(=O)n(-c3scnc3CC)c3nc(-c4c(O)cccc4F)c(Cl)cc23)[C@@H](C)C1.C=CC(=O)N1C[C@@H](C)N(c2nc(=O)n(-c3c(C(C)C)ncnc3C(C)C)c3nc(-c4ccccc4F)c(Cl)cc23)[C@H](C)C1.C=CC(=O)N1C[C@H]2CC[C@@H](C1)N2c1nc(=O)n(-c2c(C)ccnc2C(C)C)c2nc(-c3ccccc3F)c(Cl)cc12
• InChI: InChI=1S/C32H35ClFN7O2.C31H30ClFN6O2.C29H26ClFN6O2.C26H24ClFN6O3S/c1-8-25(42)39-14-19(6)40(20(7)15-39)31-22-13-23(33)28(21-11-9-10-12-24(21)34)37-30(22)41(32(43)38-31)29-26(17(2)3)35-16-36-27(29)18(4)5;1-5-25(40)37-15-19-10-11-20(16-37)38(19)30-22-14-23(32)27(21-8-6-7-9-24(21)33)35-29(22)39(31(41)36-30)28-18(4)12-13-34-26(28)17(2)3;1-3-24(38)35-13-14-36(17(2)16-35)27-21-15-22(30)25(20-7-4-5-9-23(20)31)33-28(21)37(29(39)34-27)26-19(18-10-11-18)8-6-12-32-26;1-4-18-25(38-13-29-18)34-24-15(11-16(27)22(30-24)21-17(28)7-6-8-19(21)35)23(31-26(34)37)33-10-9-32(12-14(33)3)20(36)5-2/h8-13,16-20H,1,14-15H2,2-7H3;5-9,12-14,17,19-20H,1,10-11,15-16H2,2-4H3;3-9,12,15,17-18H,1,10-11,13-14,16H2,2H3;5-8,11,13-14,35H,2,4,9-10,12H2,1,3H3/t19-,20-;19-,20+;17-;14-/m1.00/s1
• InChIKey: HBZDSEVJSZAISO-XEILCCSWSA-N
• XLogP: 20.24
• TPSA: 370.00 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 31
• Rotatable Bonds: 21
• Heavy Atoms: 161
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2277.25
LogP ≤ 5	20.24
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	31

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-(3-cyclopropyl-2-pyridinyl)-7-(2-fluorophenyl)-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]pyrido[2,3-d]pyrimidin-2-one;6-chloro-4-[(2R,6R)-2,6-dimethyl-4-prop-2-enoylpiperazin-1-yl]-1-[4,6-di(propan-2-yl)pyrimidin-5-yl]-7-(2-fluorophenyl)pyrido[2,3-d]pyrimidin-2-one;6-chloro-1-(4-ethyl-1,3-thiazol-5-yl)-7-(2-fluoro-6-hydroxyphenyl)-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]pyrido[2,3-d]pyrimidin-2-one;6-chloro-7-(2-fluorophenyl)-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-4-[(1R,5S)-3-prop-2-enoyl-3,8-diazabicyclo[3.2.1]octan-8-yl]pyrido[2,3-d]pyrimidin-2-one?

The IUPAC name of 6-chloro-1-(3-cyclopropyl-2-pyridinyl)-7-(2-fluorophenyl)-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]pyrido[2,3-d]pyrimidin-2-one;6-chloro-4-[(2R,6R)-2,6-dimethyl-4-prop-2-enoylpiperazin-1-yl]-1-[4,6-di(propan-2-yl)pyrimidin-5-yl]-7-(2-fluorophenyl)pyrido[2,3-d]pyrimidin-2-one;6-chloro-1-(4-ethyl-1,3-thiazol-5-yl)-7-(2-fluoro-6-hydroxyphenyl)-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]pyrido[2,3-d]pyrimidin-2-one;6-chloro-7-(2-fluorophenyl)-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-4-[(1R,5S)-3-prop-2-enoyl-3,8-diazabicyclo[3.2.1]octan-8-yl]pyrido[2,3-d]pyrimidin-2-one (CID 158433821) is 6-chloro-1-(3-cyclopropyl-2-pyridinyl)-7-(2-fluorophenyl)-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]pyrido[2,3-d]pyrimidin-2-one;6-chloro-4-[(2R,6R)-2,6-dimethyl-4-prop-2-enoylpiperazin-1-yl]-1-[4,6-di(propan-2-yl)pyrimidin-5-yl]-7-(2-fluorophenyl)pyrido[2,3-d]pyrimidin-2-one;6-chloro-1-(4-ethyl-1,3-thiazol-5-yl)-7-(2-fluoro-6-hydroxyphenyl)-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]pyrido[2,3-d]pyrimidin-2-one;6-chloro-7-(2-fluorophenyl)-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-4-[(1R,5S)-3-prop-2-enoyl-3,8-diazabicyclo[3.2.1]octan-8-yl]pyrido[2,3-d]pyrimidin-2-one.

What is the SMILES notation for 6-chloro-1-(3-cyclopropyl-2-pyridinyl)-7-(2-fluorophenyl)-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]pyrido[2,3-d]pyrimidin-2-one;6-chloro-4-[(2R,6R)-2,6-dimethyl-4-prop-2-enoylpiperazin-1-yl]-1-[4,6-di(propan-2-yl)pyrimidin-5-yl]-7-(2-fluorophenyl)pyrido[2,3-d]pyrimidin-2-one;6-chloro-1-(4-ethyl-1,3-thiazol-5-yl)-7-(2-fluoro-6-hydroxyphenyl)-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]pyrido[2,3-d]pyrimidin-2-one;6-chloro-7-(2-fluorophenyl)-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-4-[(1R,5S)-3-prop-2-enoyl-3,8-diazabicyclo[3.2.1]octan-8-yl]pyrido[2,3-d]pyrimidin-2-one?

The canonical SMILES for 6-chloro-1-(3-cyclopropyl-2-pyridinyl)-7-(2-fluorophenyl)-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]pyrido[2,3-d]pyrimidin-2-one;6-chloro-4-[(2R,6R)-2,6-dimethyl-4-prop-2-enoylpiperazin-1-yl]-1-[4,6-di(propan-2-yl)pyrimidin-5-yl]-7-(2-fluorophenyl)pyrido[2,3-d]pyrimidin-2-one;6-chloro-1-(4-ethyl-1,3-thiazol-5-yl)-7-(2-fluoro-6-hydroxyphenyl)-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]pyrido[2,3-d]pyrimidin-2-one;6-chloro-7-(2-fluorophenyl)-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-4-[(1R,5S)-3-prop-2-enoyl-3,8-diazabicyclo[3.2.1]octan-8-yl]pyrido[2,3-d]pyrimidin-2-one is C=CC(=O)N1CCN(c2nc(=O)n(-c3ncccc3C3CC3)c3nc(-c4ccccc4F)c(Cl)cc23)[C@@H](C)C1.C=CC(=O)N1CCN(c2nc(=O)n(-c3scnc3CC)c3nc(-c4c(O)cccc4F)c(Cl)cc23)[C@@H](C)C1.C=CC(=O)N1C[C@@H](C)N(c2nc(=O)n(-c3c(C(C)C)ncnc3C(C)C)c3nc(-c4ccccc4F)c(Cl)cc23)[C@H](C)C1.C=CC(=O)N1C[C@H]2CC[C@@H](C1)N2c1nc(=O)n(-c2c(C)ccnc2C(C)C)c2nc(-c3ccccc3F)c(Cl)cc12.

What is the InChIKey of 6-chloro-1-(3-cyclopropyl-2-pyridinyl)-7-(2-fluorophenyl)-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]pyrido[2,3-d]pyrimidin-2-one;6-chloro-4-[(2R,6R)-2,6-dimethyl-4-prop-2-enoylpiperazin-1-yl]-1-[4,6-di(propan-2-yl)pyrimidin-5-yl]-7-(2-fluorophenyl)pyrido[2,3-d]pyrimidin-2-one;6-chloro-1-(4-ethyl-1,3-thiazol-5-yl)-7-(2-fluoro-6-hydroxyphenyl)-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]pyrido[2,3-d]pyrimidin-2-one;6-chloro-7-(2-fluorophenyl)-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-4-[(1R,5S)-3-prop-2-enoyl-3,8-diazabicyclo[3.2.1]octan-8-yl]pyrido[2,3-d]pyrimidin-2-one?

The InChIKey is HBZDSEVJSZAISO-XEILCCSWSA-N. The full InChI is InChI=1S/C32H35ClFN7O2.C31H30ClFN6O2.C29H26ClFN6O2.C26H24ClFN6O3S/c1-8-25(42)39-14-19(6)40(20(7)15-39)31-22-13-23(33)28(21-11-9-10-12-24(21)34)37-30(22)41(32(43)38-31)29-26(17(2)3)35-16-36-27(29)18(4)5;1-5-25(40)37-15-19-10-11-20(16-37)38(19)30-22-14-23(32)27(21-8-6-7-9-24(21)33)35-29(22)39(31(41)36-30)28-18(4)12-13-34-26(28)17(2)3;1-3-24(38)35-13-14-36(17(2)16-35)27-21-15-22(30)25(20-7-4-5-9-23(20)31)33-28(21)37(29(39)34-27)26-19(18-10-11-18)8-6-12-32-26;1-4-18-25(38-13-29-18)34-24-15(11-16(27)22(30-24)21-17(28)7-6-8-19(21)35)23(31-26(34)37)33-10-9-32(12-14(33)3)20(36)5-2/h8-13,16-20H,1,14-15H2,2-7H3;5-9,12-14,17,19-20H,1,10-11,15-16H2,2-4H3;3-9,12,15,17-18H,1,10-11,13-14,16H2,2H3;5-8,11,13-14,35H,2,4,9-10,12H2,1,3H3/t19-,20-;19-,20+;17-;14-/m1.00/s1.

What are the key properties of 6-chloro-1-(3-cyclopropyl-2-pyridinyl)-7-(2-fluorophenyl)-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]pyrido[2,3-d]pyrimidin-2-one;6-chloro-4-[(2R,6R)-2,6-dimethyl-4-prop-2-enoylpiperazin-1-yl]-1-[4,6-di(propan-2-yl)pyrimidin-5-yl]-7-(2-fluorophenyl)pyrido[2,3-d]pyrimidin-2-one;6-chloro-1-(4-ethyl-1,3-thiazol-5-yl)-7-(2-fluoro-6-hydroxyphenyl)-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]pyrido[2,3-d]pyrimidin-2-one;6-chloro-7-(2-fluorophenyl)-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-4-[(1R,5S)-3-prop-2-enoyl-3,8-diazabicyclo[3.2.1]octan-8-yl]pyrido[2,3-d]pyrimidin-2-one?

6-chloro-1-(3-cyclopropyl-2-pyridinyl)-7-(2-fluorophenyl)-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]pyrido[2,3-d]pyrimidin-2-one;6-chloro-4-[(2R,6R)-2,6-dimethyl-4-prop-2-enoylpiperazin-1-yl]-1-[4,6-di(propan-2-yl)pyrimidin-5-yl]-7-(2-fluorophenyl)pyrido[2,3-d]pyrimidin-2-one;6-chloro-1-(4-ethyl-1,3-thiazol-5-yl)-7-(2-fluoro-6-hydroxyphenyl)-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]pyrido[2,3-d]pyrimidin-2-one;6-chloro-7-(2-fluorophenyl)-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-4-[(1R,5S)-3-prop-2-enoyl-3,8-diazabicyclo[3.2.1]octan-8-yl]pyrido[2,3-d]pyrimidin-2-one has a molecular weight of 2277.25 g/mol, XLogP of 20.24, 21 rotatable bonds, 1 hydrogen bond donors, and 31 hydrogen bond acceptors.

Where does this data come from?

All data for 6-chloro-1-(3-cyclopropyl-2-pyridinyl)-7-(2-fluorophenyl)-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]pyrido[2,3-d]pyrimidin-2-one;6-chloro-4-[(2R,6R)-2,6-dimethyl-4-prop-2-enoylpiperazin-1-yl]-1-[4,6-di(propan-2-yl)pyrimidin-5-yl]-7-(2-fluorophenyl)pyrido[2,3-d]pyrimidin-2-one;6-chloro-1-(4-ethyl-1,3-thiazol-5-yl)-7-(2-fluoro-6-hydroxyphenyl)-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]pyrido[2,3-d]pyrimidin-2-one;6-chloro-7-(2-fluorophenyl)-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-4-[(1R,5S)-3-prop-2-enoyl-3,8-diazabicyclo[3.2.1]octan-8-yl]pyrido[2,3-d]pyrimidin-2-one is sourced from PubChem (CID 158433821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).