6-chloro-1-(2,6-diethylphenyl)-7-(3-fluoro-3-methylpyrrolidin-1-yl)-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]pyrido[2,3-d]pyrimidin-2-one;6-chloro-1-(2,6-diethylphenyl)-7-[(3R)-3-methoxypyrrolidin-1-yl]-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]pyrido[2,3-d]pyrimidin-2-one;6-chloro-7-(5-fluoro-2-hydroxy-4-methylphenyl)-1-(2-methyl-6-propan-2-ylphenyl)-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]pyrido[2,3-d]pyrimidin-2-one;6-chloro-1-methyl-7-(5-methyl-1H-indazol-4-yl)-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]pyrido[2,3-d]pyrimidin-2-one

C116H130Cl4F2N24O10 — CID 159204564

About 6-chloro-1-(2,6-diethylphenyl)-7-(3-fluoro-3-methylpyrrolidin-1-yl)-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]pyrido[2,3-d]pyrimidin-2-one;6-chloro-1-(2,6-diethylphenyl)-7-[(3R)-3-methoxypyrrolidin-1-yl]-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]pyrido[2,3-d]pyrimidin-2-one;6-chloro-7-(5-fluoro-2-hydroxy-4-methylphenyl)-1-(2-methyl-6-propan-2-ylphenyl)-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]pyrido[2,3-d]pyrimidin-2-one;6-chloro-1-methyl-7-(5-methyl-1H-indazol-4-yl)-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]pyrido[2,3-d]pyrimidin-2-one

6-chloro-1-(2,6-diethylphenyl)-7-(3-fluoro-3-methylpyrrolidin-1-yl)-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]pyrido[2,3-d]pyrimidin-2-one;6-chloro-1-(2,6-diethylphenyl)-7-[(3R)-3-methoxypyrrolidin-1-yl]-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]pyrido[2,3-d]pyrimidin-2-one;6-chloro-7-(5-fluoro-2-hydroxy-4-methylphenyl)-1-(2-methyl-6-propan-2-ylphenyl)-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]pyrido[2,3-d]pyrimidin-2-one;6-chloro-1-methyl-7-(5-methyl-1H-indazol-4-yl)-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]pyrido[2,3-d]pyrimidin-2-one (PubChem CID 159204564) has the molecular formula C116H130Cl4F2N24O10 and a molecular weight of 2200.28 g/mol. Its IUPAC name is 6-chloro-1-(2,6-diethylphenyl)-7-(3-fluoro-3-methylpyrrolidin-1-yl)-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]pyrido[2,3-d]pyrimidin-2-one;6-chloro-1-(2,6-diethylphenyl)-7-[(3R)-3-methoxypyrrolidin-1-yl]-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]pyrido[2,3-d]pyrimidin-2-one;6-chloro-7-(5-fluoro-2-hydroxy-4-methylphenyl)-1-(2-methyl-6-propan-2-ylphenyl)-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]pyrido[2,3-d]pyrimidin-2-one;6-chloro-1-methyl-7-(5-methyl-1H-indazol-4-yl)-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]pyrido[2,3-d]pyrimidin-2-one.

Molecular Properties

• Compound Name: 6-chloro-1-(2,6-diethylphenyl)-7-(3-fluoro-3-methylpyrrolidin-1-yl)-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]pyrido[2,3-d]pyrimidin-2-one;6-chloro-1-(2,6-diethylphenyl)-7-[(3R)-3-methoxypyrrolidin-1-yl]-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]pyrido[2,3-d]pyrimidin-2-one;6-chloro-7-(5-fluoro-2-hydroxy-4-methylphenyl)-1-(2-methyl-6-propan-2-ylphenyl)-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]pyrido[2,3-d]pyrimidin-2-one;6-chloro-1-methyl-7-(5-methyl-1H-indazol-4-yl)-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]pyrido[2,3-d]pyrimidin-2-one
• PubChem CID: 159204564
• Molecular Formula: C116H130Cl4F2N24O10
• Molecular Weight: 2200.28 g/mol
• Exact Mass: 2196.91
• IUPAC Name: 6-chloro-1-(2,6-diethylphenyl)-7-(3-fluoro-3-methylpyrrolidin-1-yl)-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]pyrido[2,3-d]pyrimidin-2-one;6-chloro-1-(2,6-diethylphenyl)-7-[(3R)-3-methoxypyrrolidin-1-yl]-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]pyrido[2,3-d]pyrimidin-2-one;6-chloro-7-(5-fluoro-2-hydroxy-4-methylphenyl)-1-(2-methyl-6-propan-2-ylphenyl)-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]pyrido[2,3-d]pyrimidin-2-one;6-chloro-1-methyl-7-(5-methyl-1H-indazol-4-yl)-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]pyrido[2,3-d]pyrimidin-2-one
• SMILES: C=CC(=O)N1CCN(c2nc(=O)n(-c3c(C)cccc3C(C)C)c3nc(-c4cc(F)c(C)cc4O)c(Cl)cc23)[C@@H](C)C1.C=CC(=O)N1CCN(c2nc(=O)n(-c3c(CC)cccc3CC)c3nc(N4CCC(C)(F)C4)c(Cl)cc23)[C@@H](C)C1.C=CC(=O)N1CCN(c2nc(=O)n(-c3c(CC)cccc3CC)c3nc(N4CC[C@@H](OC)C4)c(Cl)cc23)[C@@H](C)C1.C=CC(=O)N1CCN(c2nc(=O)n(C)c3nc(-c4c(C)ccc5[nH]ncc45)c(Cl)cc23)[C@@H](C)C1
• InChI: InChI=1S/C32H33ClFN5O3.C30H36ClFN6O2.C30H37ClN6O3.C24H24ClN7O2/c1-7-27(41)37-11-12-38(20(6)16-37)30-23-14-24(33)28(22-15-25(34)19(5)13-26(22)40)35-31(23)39(32(42)36-30)29-18(4)9-8-10-21(29)17(2)3;1-6-20-10-9-11-21(7-2)25(20)38-27-22(16-23(31)28(33-27)36-13-12-30(5,32)18-36)26(34-29(38)40)37-15-14-35(17-19(37)4)24(39)8-3;1-6-20-10-9-11-21(7-2)26(20)37-28-23(16-24(31)29(32-28)35-13-12-22(18-35)40-5)27(33-30(37)39)36-15-14-34(17-19(36)4)25(38)8-3;1-5-19(33)31-8-9-32(14(3)12-31)23-15-10-17(25)21(27-22(15)30(4)24(34)28-23)20-13(2)6-7-18-16(20)11-26-29-18/h7-10,13-15,17,20,40H,1,11-12,16H2,2-6H3;8-11,16,19H,3,6-7,12-15,17-18H2,1-2,4-5H3;8-11,16,19,22H,3,6-7,12-15,17-18H2,1-2,4-5H3;5-7,10-11,14H,1,8-9,12H2,2-4H3,(H,26,29)/t20-;19-,30?;19-,22+;14-/m0000/s1
• InChIKey: KPSDOYSKHCBWJN-BXGDZLLCSA-N
• XLogP: 17.69
• TPSA: 349.94 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 29
• Rotatable Bonds: 21
• Heavy Atoms: 156
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2200.28
LogP ≤ 5	17.69
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	29

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-(2,6-diethylphenyl)-7-(3-fluoro-3-methylpyrrolidin-1-yl)-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]pyrido[2,3-d]pyrimidin-2-one;6-chloro-1-(2,6-diethylphenyl)-7-[(3R)-3-methoxypyrrolidin-1-yl]-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]pyrido[2,3-d]pyrimidin-2-one;6-chloro-7-(5-fluoro-2-hydroxy-4-methylphenyl)-1-(2-methyl-6-propan-2-ylphenyl)-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]pyrido[2,3-d]pyrimidin-2-one;6-chloro-1-methyl-7-(5-methyl-1H-indazol-4-yl)-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]pyrido[2,3-d]pyrimidin-2-one?

The IUPAC name of 6-chloro-1-(2,6-diethylphenyl)-7-(3-fluoro-3-methylpyrrolidin-1-yl)-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]pyrido[2,3-d]pyrimidin-2-one;6-chloro-1-(2,6-diethylphenyl)-7-[(3R)-3-methoxypyrrolidin-1-yl]-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]pyrido[2,3-d]pyrimidin-2-one;6-chloro-7-(5-fluoro-2-hydroxy-4-methylphenyl)-1-(2-methyl-6-propan-2-ylphenyl)-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]pyrido[2,3-d]pyrimidin-2-one;6-chloro-1-methyl-7-(5-methyl-1H-indazol-4-yl)-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]pyrido[2,3-d]pyrimidin-2-one (CID 159204564) is 6-chloro-1-(2,6-diethylphenyl)-7-(3-fluoro-3-methylpyrrolidin-1-yl)-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]pyrido[2,3-d]pyrimidin-2-one;6-chloro-1-(2,6-diethylphenyl)-7-[(3R)-3-methoxypyrrolidin-1-yl]-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]pyrido[2,3-d]pyrimidin-2-one;6-chloro-7-(5-fluoro-2-hydroxy-4-methylphenyl)-1-(2-methyl-6-propan-2-ylphenyl)-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]pyrido[2,3-d]pyrimidin-2-one;6-chloro-1-methyl-7-(5-methyl-1H-indazol-4-yl)-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]pyrido[2,3-d]pyrimidin-2-one.

What is the SMILES notation for 6-chloro-1-(2,6-diethylphenyl)-7-(3-fluoro-3-methylpyrrolidin-1-yl)-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]pyrido[2,3-d]pyrimidin-2-one;6-chloro-1-(2,6-diethylphenyl)-7-[(3R)-3-methoxypyrrolidin-1-yl]-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]pyrido[2,3-d]pyrimidin-2-one;6-chloro-7-(5-fluoro-2-hydroxy-4-methylphenyl)-1-(2-methyl-6-propan-2-ylphenyl)-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]pyrido[2,3-d]pyrimidin-2-one;6-chloro-1-methyl-7-(5-methyl-1H-indazol-4-yl)-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]pyrido[2,3-d]pyrimidin-2-one?

The canonical SMILES for 6-chloro-1-(2,6-diethylphenyl)-7-(3-fluoro-3-methylpyrrolidin-1-yl)-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]pyrido[2,3-d]pyrimidin-2-one;6-chloro-1-(2,6-diethylphenyl)-7-[(3R)-3-methoxypyrrolidin-1-yl]-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]pyrido[2,3-d]pyrimidin-2-one;6-chloro-7-(5-fluoro-2-hydroxy-4-methylphenyl)-1-(2-methyl-6-propan-2-ylphenyl)-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]pyrido[2,3-d]pyrimidin-2-one;6-chloro-1-methyl-7-(5-methyl-1H-indazol-4-yl)-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]pyrido[2,3-d]pyrimidin-2-one is C=CC(=O)N1CCN(c2nc(=O)n(-c3c(C)cccc3C(C)C)c3nc(-c4cc(F)c(C)cc4O)c(Cl)cc23)[C@@H](C)C1.C=CC(=O)N1CCN(c2nc(=O)n(-c3c(CC)cccc3CC)c3nc(N4CCC(C)(F)C4)c(Cl)cc23)[C@@H](C)C1.C=CC(=O)N1CCN(c2nc(=O)n(-c3c(CC)cccc3CC)c3nc(N4CC[C@@H](OC)C4)c(Cl)cc23)[C@@H](C)C1.C=CC(=O)N1CCN(c2nc(=O)n(C)c3nc(-c4c(C)ccc5[nH]ncc45)c(Cl)cc23)[C@@H](C)C1.

What is the InChIKey of 6-chloro-1-(2,6-diethylphenyl)-7-(3-fluoro-3-methylpyrrolidin-1-yl)-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]pyrido[2,3-d]pyrimidin-2-one;6-chloro-1-(2,6-diethylphenyl)-7-[(3R)-3-methoxypyrrolidin-1-yl]-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]pyrido[2,3-d]pyrimidin-2-one;6-chloro-7-(5-fluoro-2-hydroxy-4-methylphenyl)-1-(2-methyl-6-propan-2-ylphenyl)-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]pyrido[2,3-d]pyrimidin-2-one;6-chloro-1-methyl-7-(5-methyl-1H-indazol-4-yl)-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]pyrido[2,3-d]pyrimidin-2-one?

The InChIKey is KPSDOYSKHCBWJN-BXGDZLLCSA-N. The full InChI is InChI=1S/C32H33ClFN5O3.C30H36ClFN6O2.C30H37ClN6O3.C24H24ClN7O2/c1-7-27(41)37-11-12-38(20(6)16-37)30-23-14-24(33)28(22-15-25(34)19(5)13-26(22)40)35-31(23)39(32(42)36-30)29-18(4)9-8-10-21(29)17(2)3;1-6-20-10-9-11-21(7-2)25(20)38-27-22(16-23(31)28(33-27)36-13-12-30(5,32)18-36)26(34-29(38)40)37-15-14-35(17-19(37)4)24(39)8-3;1-6-20-10-9-11-21(7-2)26(20)37-28-23(16-24(31)29(32-28)35-13-12-22(18-35)40-5)27(33-30(37)39)36-15-14-34(17-19(36)4)25(38)8-3;1-5-19(33)31-8-9-32(14(3)12-31)23-15-10-17(25)21(27-22(15)30(4)24(34)28-23)20-13(2)6-7-18-16(20)11-26-29-18/h7-10,13-15,17,20,40H,1,11-12,16H2,2-6H3;8-11,16,19H,3,6-7,12-15,17-18H2,1-2,4-5H3;8-11,16,19,22H,3,6-7,12-15,17-18H2,1-2,4-5H3;5-7,10-11,14H,1,8-9,12H2,2-4H3,(H,26,29)/t20-;19-,30?;19-,22+;14-/m0000/s1.

What are the key properties of 6-chloro-1-(2,6-diethylphenyl)-7-(3-fluoro-3-methylpyrrolidin-1-yl)-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]pyrido[2,3-d]pyrimidin-2-one;6-chloro-1-(2,6-diethylphenyl)-7-[(3R)-3-methoxypyrrolidin-1-yl]-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]pyrido[2,3-d]pyrimidin-2-one;6-chloro-7-(5-fluoro-2-hydroxy-4-methylphenyl)-1-(2-methyl-6-propan-2-ylphenyl)-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]pyrido[2,3-d]pyrimidin-2-one;6-chloro-1-methyl-7-(5-methyl-1H-indazol-4-yl)-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]pyrido[2,3-d]pyrimidin-2-one?

6-chloro-1-(2,6-diethylphenyl)-7-(3-fluoro-3-methylpyrrolidin-1-yl)-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]pyrido[2,3-d]pyrimidin-2-one;6-chloro-1-(2,6-diethylphenyl)-7-[(3R)-3-methoxypyrrolidin-1-yl]-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]pyrido[2,3-d]pyrimidin-2-one;6-chloro-7-(5-fluoro-2-hydroxy-4-methylphenyl)-1-(2-methyl-6-propan-2-ylphenyl)-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]pyrido[2,3-d]pyrimidin-2-one;6-chloro-1-methyl-7-(5-methyl-1H-indazol-4-yl)-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]pyrido[2,3-d]pyrimidin-2-one has a molecular weight of 2200.28 g/mol, XLogP of 17.69, 21 rotatable bonds, 2 hydrogen bond donors, and 29 hydrogen bond acceptors.

Where does this data come from?

All data for 6-chloro-1-(2,6-diethylphenyl)-7-(3-fluoro-3-methylpyrrolidin-1-yl)-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]pyrido[2,3-d]pyrimidin-2-one;6-chloro-1-(2,6-diethylphenyl)-7-[(3R)-3-methoxypyrrolidin-1-yl]-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]pyrido[2,3-d]pyrimidin-2-one;6-chloro-7-(5-fluoro-2-hydroxy-4-methylphenyl)-1-(2-methyl-6-propan-2-ylphenyl)-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]pyrido[2,3-d]pyrimidin-2-one;6-chloro-1-methyl-7-(5-methyl-1H-indazol-4-yl)-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]pyrido[2,3-d]pyrimidin-2-one is sourced from PubChem (CID 159204564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).