6-chloro-7-(2-fluoro-6-hydroxyphenyl)-1-(2-methyl-4-propan-2-yl-3-pyridinyl)-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]pyrido[2,3-d]pyrimidin-2-one;6-chloro-7-(2-fluorophenyl)-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]-1-pentan-3-ylpyrido[2,3-d]pyrimidin-2-one;6-chloro-7-methyl-1-[2-(1-methylcyclopropyl)phenyl]-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]pyrido[2,3-d]pyrimidin-2-one;6-chloro-7-methyl-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]-1-pentan-3-ylpyrido[2,3-d]pyrimidin-2-one

C103H115Cl4F2N21O9 — CID 158312437

About 6-chloro-7-(2-fluoro-6-hydroxyphenyl)-1-(2-methyl-4-propan-2-yl-3-pyridinyl)-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]pyrido[2,3-d]pyrimidin-2-one;6-chloro-7-(2-fluorophenyl)-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]-1-pentan-3-ylpyrido[2,3-d]pyrimidin-2-one;6-chloro-7-methyl-1-[2-(1-methylcyclopropyl)phenyl]-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]pyrido[2,3-d]pyrimidin-2-one;6-chloro-7-methyl-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]-1-pentan-3-ylpyrido[2,3-d]pyrimidin-2-one

6-chloro-7-(2-fluoro-6-hydroxyphenyl)-1-(2-methyl-4-propan-2-yl-3-pyridinyl)-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]pyrido[2,3-d]pyrimidin-2-one;6-chloro-7-(2-fluorophenyl)-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]-1-pentan-3-ylpyrido[2,3-d]pyrimidin-2-one;6-chloro-7-methyl-1-[2-(1-methylcyclopropyl)phenyl]-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]pyrido[2,3-d]pyrimidin-2-one;6-chloro-7-methyl-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]-1-pentan-3-ylpyrido[2,3-d]pyrimidin-2-one (PubChem CID 158312437) has the molecular formula C103H115Cl4F2N21O9 and a molecular weight of 1971.00 g/mol. Its IUPAC name is 6-chloro-7-(2-fluoro-6-hydroxyphenyl)-1-(2-methyl-4-propan-2-yl-3-pyridinyl)-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]pyrido[2,3-d]pyrimidin-2-one;6-chloro-7-(2-fluorophenyl)-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]-1-pentan-3-ylpyrido[2,3-d]pyrimidin-2-one;6-chloro-7-methyl-1-[2-(1-methylcyclopropyl)phenyl]-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]pyrido[2,3-d]pyrimidin-2-one;6-chloro-7-methyl-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]-1-pentan-3-ylpyrido[2,3-d]pyrimidin-2-one.

Molecular Properties

• Compound Name: 6-chloro-7-(2-fluoro-6-hydroxyphenyl)-1-(2-methyl-4-propan-2-yl-3-pyridinyl)-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]pyrido[2,3-d]pyrimidin-2-one;6-chloro-7-(2-fluorophenyl)-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]-1-pentan-3-ylpyrido[2,3-d]pyrimidin-2-one;6-chloro-7-methyl-1-[2-(1-methylcyclopropyl)phenyl]-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]pyrido[2,3-d]pyrimidin-2-one;6-chloro-7-methyl-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]-1-pentan-3-ylpyrido[2,3-d]pyrimidin-2-one
• PubChem CID: 158312437
• Molecular Formula: C103H115Cl4F2N21O9
• Molecular Weight: 1971.00 g/mol
• Exact Mass: 1967.79
• IUPAC Name: 6-chloro-7-(2-fluoro-6-hydroxyphenyl)-1-(2-methyl-4-propan-2-yl-3-pyridinyl)-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]pyrido[2,3-d]pyrimidin-2-one;6-chloro-7-(2-fluorophenyl)-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]-1-pentan-3-ylpyrido[2,3-d]pyrimidin-2-one;6-chloro-7-methyl-1-[2-(1-methylcyclopropyl)phenyl]-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]pyrido[2,3-d]pyrimidin-2-one;6-chloro-7-methyl-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]-1-pentan-3-ylpyrido[2,3-d]pyrimidin-2-one
• SMILES: C=CC(=O)N1CCN(c2nc(=O)n(-c3c(C(C)C)ccnc3C)c3nc(-c4c(O)cccc4F)c(Cl)cc23)[C@@H](C)C1.C=CC(=O)N1CCN(c2nc(=O)n(-c3ccccc3C3(C)CC3)c3nc(C)c(Cl)cc23)[C@@H](C)C1.C=CC(=O)N1CCN(c2nc(=O)n(C(CC)CC)c3nc(-c4ccccc4F)c(Cl)cc23)[C@@H](C)C1.C=CC(=O)N1CCN(c2nc(=O)n(C(CC)CC)c3nc(C)c(Cl)cc23)[C@@H](C)C1
• InChI: InChI=1S/C30H30ClFN6O3.C26H29ClFN5O2.C26H28ClN5O2.C21H28ClN5O2/c1-6-24(40)36-12-13-37(17(4)15-36)28-20-14-21(31)26(25-22(32)8-7-9-23(25)39)34-29(20)38(30(41)35-28)27-18(5)33-11-10-19(27)16(2)3;1-5-17(6-2)33-25-19(14-20(27)23(29-25)18-10-8-9-11-21(18)28)24(30-26(33)35)32-13-12-31(15-16(32)4)22(34)7-3;1-5-22(33)30-12-13-31(16(2)15-30)23-18-14-20(27)17(3)28-24(18)32(25(34)29-23)21-9-7-6-8-19(21)26(4)10-11-26;1-6-15(7-2)27-20-16(11-17(22)14(5)23-20)19(24-21(27)29)26-10-9-25(12-13(26)4)18(28)8-3/h6-11,14,16-17,39H,1,12-13,15H2,2-5H3;7-11,14,16-17H,3,5-6,12-13,15H2,1-2,4H3;5-9,14,16H,1,10-13,15H2,2-4H3;8,11,13,15H,3,6-7,9-10,12H2,1-2,4-5H3/t17-;2*16-;13-/m0000/s1
• InChIKey: GNVNDVAYTYEHKD-AYAWVRDLSA-N
• XLogP: 17.19
• TPSA: 318.44 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 26
• Rotatable Bonds: 20
• Heavy Atoms: 139
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1971.00
LogP ≤ 5	17.19
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	26

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 6-chloro-7-(2-fluoro-6-hydroxyphenyl)-1-(2-methyl-4-propan-2-yl-3-pyridinyl)-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]pyrido[2,3-d]pyrimidin-2-one;6-chloro-7-(2-fluorophenyl)-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]-1-pentan-3-ylpyrido[2,3-d]pyrimidin-2-one;6-chloro-7-methyl-1-[2-(1-methylcyclopropyl)phenyl]-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]pyrido[2,3-d]pyrimidin-2-one;6-chloro-7-methyl-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]-1-pentan-3-ylpyrido[2,3-d]pyrimidin-2-one?

The IUPAC name of 6-chloro-7-(2-fluoro-6-hydroxyphenyl)-1-(2-methyl-4-propan-2-yl-3-pyridinyl)-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]pyrido[2,3-d]pyrimidin-2-one;6-chloro-7-(2-fluorophenyl)-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]-1-pentan-3-ylpyrido[2,3-d]pyrimidin-2-one;6-chloro-7-methyl-1-[2-(1-methylcyclopropyl)phenyl]-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]pyrido[2,3-d]pyrimidin-2-one;6-chloro-7-methyl-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]-1-pentan-3-ylpyrido[2,3-d]pyrimidin-2-one (CID 158312437) is 6-chloro-7-(2-fluoro-6-hydroxyphenyl)-1-(2-methyl-4-propan-2-yl-3-pyridinyl)-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]pyrido[2,3-d]pyrimidin-2-one;6-chloro-7-(2-fluorophenyl)-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]-1-pentan-3-ylpyrido[2,3-d]pyrimidin-2-one;6-chloro-7-methyl-1-[2-(1-methylcyclopropyl)phenyl]-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]pyrido[2,3-d]pyrimidin-2-one;6-chloro-7-methyl-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]-1-pentan-3-ylpyrido[2,3-d]pyrimidin-2-one.

What is the SMILES notation for 6-chloro-7-(2-fluoro-6-hydroxyphenyl)-1-(2-methyl-4-propan-2-yl-3-pyridinyl)-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]pyrido[2,3-d]pyrimidin-2-one;6-chloro-7-(2-fluorophenyl)-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]-1-pentan-3-ylpyrido[2,3-d]pyrimidin-2-one;6-chloro-7-methyl-1-[2-(1-methylcyclopropyl)phenyl]-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]pyrido[2,3-d]pyrimidin-2-one;6-chloro-7-methyl-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]-1-pentan-3-ylpyrido[2,3-d]pyrimidin-2-one?

The canonical SMILES for 6-chloro-7-(2-fluoro-6-hydroxyphenyl)-1-(2-methyl-4-propan-2-yl-3-pyridinyl)-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]pyrido[2,3-d]pyrimidin-2-one;6-chloro-7-(2-fluorophenyl)-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]-1-pentan-3-ylpyrido[2,3-d]pyrimidin-2-one;6-chloro-7-methyl-1-[2-(1-methylcyclopropyl)phenyl]-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]pyrido[2,3-d]pyrimidin-2-one;6-chloro-7-methyl-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]-1-pentan-3-ylpyrido[2,3-d]pyrimidin-2-one is C=CC(=O)N1CCN(c2nc(=O)n(-c3c(C(C)C)ccnc3C)c3nc(-c4c(O)cccc4F)c(Cl)cc23)[C@@H](C)C1.C=CC(=O)N1CCN(c2nc(=O)n(-c3ccccc3C3(C)CC3)c3nc(C)c(Cl)cc23)[C@@H](C)C1.C=CC(=O)N1CCN(c2nc(=O)n(C(CC)CC)c3nc(-c4ccccc4F)c(Cl)cc23)[C@@H](C)C1.C=CC(=O)N1CCN(c2nc(=O)n(C(CC)CC)c3nc(C)c(Cl)cc23)[C@@H](C)C1.

What is the InChIKey of 6-chloro-7-(2-fluoro-6-hydroxyphenyl)-1-(2-methyl-4-propan-2-yl-3-pyridinyl)-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]pyrido[2,3-d]pyrimidin-2-one;6-chloro-7-(2-fluorophenyl)-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]-1-pentan-3-ylpyrido[2,3-d]pyrimidin-2-one;6-chloro-7-methyl-1-[2-(1-methylcyclopropyl)phenyl]-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]pyrido[2,3-d]pyrimidin-2-one;6-chloro-7-methyl-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]-1-pentan-3-ylpyrido[2,3-d]pyrimidin-2-one?

The InChIKey is GNVNDVAYTYEHKD-AYAWVRDLSA-N. The full InChI is InChI=1S/C30H30ClFN6O3.C26H29ClFN5O2.C26H28ClN5O2.C21H28ClN5O2/c1-6-24(40)36-12-13-37(17(4)15-36)28-20-14-21(31)26(25-22(32)8-7-9-23(25)39)34-29(20)38(30(41)35-28)27-18(5)33-11-10-19(27)16(2)3;1-5-17(6-2)33-25-19(14-20(27)23(29-25)18-10-8-9-11-21(18)28)24(30-26(33)35)32-13-12-31(15-16(32)4)22(34)7-3;1-5-22(33)30-12-13-31(16(2)15-30)23-18-14-20(27)17(3)28-24(18)32(25(34)29-23)21-9-7-6-8-19(21)26(4)10-11-26;1-6-15(7-2)27-20-16(11-17(22)14(5)23-20)19(24-21(27)29)26-10-9-25(12-13(26)4)18(28)8-3/h6-11,14,16-17,39H,1,12-13,15H2,2-5H3;7-11,14,16-17H,3,5-6,12-13,15H2,1-2,4H3;5-9,14,16H,1,10-13,15H2,2-4H3;8,11,13,15H,3,6-7,9-10,12H2,1-2,4-5H3/t17-;2*16-;13-/m0000/s1.

What are the key properties of 6-chloro-7-(2-fluoro-6-hydroxyphenyl)-1-(2-methyl-4-propan-2-yl-3-pyridinyl)-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]pyrido[2,3-d]pyrimidin-2-one;6-chloro-7-(2-fluorophenyl)-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]-1-pentan-3-ylpyrido[2,3-d]pyrimidin-2-one;6-chloro-7-methyl-1-[2-(1-methylcyclopropyl)phenyl]-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]pyrido[2,3-d]pyrimidin-2-one;6-chloro-7-methyl-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]-1-pentan-3-ylpyrido[2,3-d]pyrimidin-2-one?

6-chloro-7-(2-fluoro-6-hydroxyphenyl)-1-(2-methyl-4-propan-2-yl-3-pyridinyl)-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]pyrido[2,3-d]pyrimidin-2-one;6-chloro-7-(2-fluorophenyl)-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]-1-pentan-3-ylpyrido[2,3-d]pyrimidin-2-one;6-chloro-7-methyl-1-[2-(1-methylcyclopropyl)phenyl]-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]pyrido[2,3-d]pyrimidin-2-one;6-chloro-7-methyl-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]-1-pentan-3-ylpyrido[2,3-d]pyrimidin-2-one has a molecular weight of 1971.00 g/mol, XLogP of 17.19, 20 rotatable bonds, 1 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for 6-chloro-7-(2-fluoro-6-hydroxyphenyl)-1-(2-methyl-4-propan-2-yl-3-pyridinyl)-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]pyrido[2,3-d]pyrimidin-2-one;6-chloro-7-(2-fluorophenyl)-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]-1-pentan-3-ylpyrido[2,3-d]pyrimidin-2-one;6-chloro-7-methyl-1-[2-(1-methylcyclopropyl)phenyl]-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]pyrido[2,3-d]pyrimidin-2-one;6-chloro-7-methyl-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]-1-pentan-3-ylpyrido[2,3-d]pyrimidin-2-one is sourced from PubChem (CID 158312437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).