bis(6-chloro-1-(2,6-diethylphenyl)-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]-7-[(3S)-3-methylpyrrolidin-1-yl]pyrido[2,3-d]pyrimidin-2-one);6-fluoro-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-fluoro-7-(2-fluoro-6-hydroxyphenyl)-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]-1-[2-[1-(trifluoromethyl)cyclopropyl]phenyl]pyrido[2,3-d]pyrimidin-2-one

C121H130Cl2F7N23O10 — CID 160880092

About bis(6-chloro-1-(2,6-diethylphenyl)-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]-7-[(3S)-3-methylpyrrolidin-1-yl]pyrido[2,3-d]pyrimidin-2-one);6-fluoro-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-fluoro-7-(2-fluoro-6-hydroxyphenyl)-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]-1-[2-[1-(trifluoromethyl)cyclopropyl]phenyl]pyrido[2,3-d]pyrimidin-2-one

bis(6-chloro-1-(2,6-diethylphenyl)-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]-7-[(3S)-3-methylpyrrolidin-1-yl]pyrido[2,3-d]pyrimidin-2-one);6-fluoro-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-fluoro-7-(2-fluoro-6-hydroxyphenyl)-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]-1-[2-[1-(trifluoromethyl)cyclopropyl]phenyl]pyrido[2,3-d]pyrimidin-2-one (PubChem CID 160880092) has the molecular formula C121H130Cl2F7N23O10 and a molecular weight of 2270.41 g/mol. Its IUPAC name is bis(6-chloro-1-(2,6-diethylphenyl)-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]-7-[(3S)-3-methylpyrrolidin-1-yl]pyrido[2,3-d]pyrimidin-2-one);6-fluoro-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-fluoro-7-(2-fluoro-6-hydroxyphenyl)-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]-1-[2-[1-(trifluoromethyl)cyclopropyl]phenyl]pyrido[2,3-d]pyrimidin-2-one.

Molecular Properties

• Compound Name: bis(6-chloro-1-(2,6-diethylphenyl)-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]-7-[(3S)-3-methylpyrrolidin-1-yl]pyrido[2,3-d]pyrimidin-2-one);6-fluoro-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-fluoro-7-(2-fluoro-6-hydroxyphenyl)-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]-1-[2-[1-(trifluoromethyl)cyclopropyl]phenyl]pyrido[2,3-d]pyrimidin-2-one
• PubChem CID: 160880092
• Molecular Formula: C121H130Cl2F7N23O10
• Molecular Weight: 2270.41 g/mol
• Exact Mass: 2267.96
• IUPAC Name: bis(6-chloro-1-(2,6-diethylphenyl)-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]-7-[(3S)-3-methylpyrrolidin-1-yl]pyrido[2,3-d]pyrimidin-2-one);6-fluoro-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-fluoro-7-(2-fluoro-6-hydroxyphenyl)-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]-1-[2-[1-(trifluoromethyl)cyclopropyl]phenyl]pyrido[2,3-d]pyrimidin-2-one
• SMILES: C=CC(=O)N1CCN(c2nc(=O)n(-c3c(C(C)C)ccnc3C)c3nc(-c4c(O)cccc4F)c(F)cc23)[C@@H](C)C1.C=CC(=O)N1CCN(c2nc(=O)n(-c3c(CC)cccc3CC)c3nc(N4CC[C@H](C)C4)c(Cl)cc23)[C@@H](C)C1.C=CC(=O)N1CCN(c2nc(=O)n(-c3c(CC)cccc3CC)c3nc(N4CC[C@H](C)C4)c(Cl)cc23)[C@@H](C)C1.C=CC(=O)N1CCN(c2nc(=O)n(-c3ccccc3C3(C(F)(F)F)CC3)c3nc(-c4c(O)cccc4F)c(F)cc23)[C@@H](C)C1
• InChI: InChI=1S/C31H26F5N5O3.2C30H37ClN6O2.C30H30F2N6O3/c1-3-24(43)39-13-14-40(17(2)16-39)27-18-15-21(33)26(25-20(32)8-6-10-23(25)42)37-28(18)41(29(44)38-27)22-9-5-4-7-19(22)30(11-12-30)31(34,35)36;2*1-6-21-10-9-11-22(7-2)26(21)37-28-23(16-24(31)29(32-28)35-13-12-19(4)17-35)27(33-30(37)39)36-15-14-34(18-20(36)5)25(38)8-3;1-6-24(40)36-12-13-37(17(4)15-36)28-20-14-22(32)26(25-21(31)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/h3-10,15,17,42H,1,11-14,16H2,2H3;2*8-11,16,19-20H,3,6-7,12-15,17-18H2,1-2,4-5H3;6-11,14,16-17,39H,1,12-13,15H2,2-5H3/t17-;2*19-,20-;17-/m0000/s1
• InChIKey: SMXMNJSMVAMXIF-QBYZKGBISA-N
• XLogP: 18.99
• TPSA: 345.15 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 29
• Rotatable Bonds: 22
• Heavy Atoms: 163
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2270.41
LogP ≤ 5	18.99
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 bis(6-chloro-1-(2,6-diethylphenyl)-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]-7-[(3S)-3-methylpyrrolidin-1-yl]pyrido[2,3-d]pyrimidin-2-one);6-fluoro-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-fluoro-7-(2-fluoro-6-hydroxyphenyl)-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]-1-[2-[1-(trifluoromethyl)cyclopropyl]phenyl]pyrido[2,3-d]pyrimidin-2-one?

The IUPAC name of bis(6-chloro-1-(2,6-diethylphenyl)-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]-7-[(3S)-3-methylpyrrolidin-1-yl]pyrido[2,3-d]pyrimidin-2-one);6-fluoro-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-fluoro-7-(2-fluoro-6-hydroxyphenyl)-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]-1-[2-[1-(trifluoromethyl)cyclopropyl]phenyl]pyrido[2,3-d]pyrimidin-2-one (CID 160880092) is bis(6-chloro-1-(2,6-diethylphenyl)-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]-7-[(3S)-3-methylpyrrolidin-1-yl]pyrido[2,3-d]pyrimidin-2-one);6-fluoro-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-fluoro-7-(2-fluoro-6-hydroxyphenyl)-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]-1-[2-[1-(trifluoromethyl)cyclopropyl]phenyl]pyrido[2,3-d]pyrimidin-2-one.

What is the SMILES notation for bis(6-chloro-1-(2,6-diethylphenyl)-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]-7-[(3S)-3-methylpyrrolidin-1-yl]pyrido[2,3-d]pyrimidin-2-one);6-fluoro-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-fluoro-7-(2-fluoro-6-hydroxyphenyl)-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]-1-[2-[1-(trifluoromethyl)cyclopropyl]phenyl]pyrido[2,3-d]pyrimidin-2-one?

The canonical SMILES for bis(6-chloro-1-(2,6-diethylphenyl)-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]-7-[(3S)-3-methylpyrrolidin-1-yl]pyrido[2,3-d]pyrimidin-2-one);6-fluoro-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-fluoro-7-(2-fluoro-6-hydroxyphenyl)-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]-1-[2-[1-(trifluoromethyl)cyclopropyl]phenyl]pyrido[2,3-d]pyrimidin-2-one is C=CC(=O)N1CCN(c2nc(=O)n(-c3c(C(C)C)ccnc3C)c3nc(-c4c(O)cccc4F)c(F)cc23)[C@@H](C)C1.C=CC(=O)N1CCN(c2nc(=O)n(-c3c(CC)cccc3CC)c3nc(N4CC[C@H](C)C4)c(Cl)cc23)[C@@H](C)C1.C=CC(=O)N1CCN(c2nc(=O)n(-c3c(CC)cccc3CC)c3nc(N4CC[C@H](C)C4)c(Cl)cc23)[C@@H](C)C1.C=CC(=O)N1CCN(c2nc(=O)n(-c3ccccc3C3(C(F)(F)F)CC3)c3nc(-c4c(O)cccc4F)c(F)cc23)[C@@H](C)C1.

What is the InChIKey of bis(6-chloro-1-(2,6-diethylphenyl)-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]-7-[(3S)-3-methylpyrrolidin-1-yl]pyrido[2,3-d]pyrimidin-2-one);6-fluoro-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-fluoro-7-(2-fluoro-6-hydroxyphenyl)-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]-1-[2-[1-(trifluoromethyl)cyclopropyl]phenyl]pyrido[2,3-d]pyrimidin-2-one?

The InChIKey is SMXMNJSMVAMXIF-QBYZKGBISA-N. The full InChI is InChI=1S/C31H26F5N5O3.2C30H37ClN6O2.C30H30F2N6O3/c1-3-24(43)39-13-14-40(17(2)16-39)27-18-15-21(33)26(25-20(32)8-6-10-23(25)42)37-28(18)41(29(44)38-27)22-9-5-4-7-19(22)30(11-12-30)31(34,35)36;2*1-6-21-10-9-11-22(7-2)26(21)37-28-23(16-24(31)29(32-28)35-13-12-19(4)17-35)27(33-30(37)39)36-15-14-34(18-20(36)5)25(38)8-3;1-6-24(40)36-12-13-37(17(4)15-36)28-20-14-22(32)26(25-21(31)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/h3-10,15,17,42H,1,11-14,16H2,2H3;2*8-11,16,19-20H,3,6-7,12-15,17-18H2,1-2,4-5H3;6-11,14,16-17,39H,1,12-13,15H2,2-5H3/t17-;2*19-,20-;17-/m0000/s1.

What are the key properties of bis(6-chloro-1-(2,6-diethylphenyl)-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]-7-[(3S)-3-methylpyrrolidin-1-yl]pyrido[2,3-d]pyrimidin-2-one);6-fluoro-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-fluoro-7-(2-fluoro-6-hydroxyphenyl)-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]-1-[2-[1-(trifluoromethyl)cyclopropyl]phenyl]pyrido[2,3-d]pyrimidin-2-one?

bis(6-chloro-1-(2,6-diethylphenyl)-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]-7-[(3S)-3-methylpyrrolidin-1-yl]pyrido[2,3-d]pyrimidin-2-one);6-fluoro-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-fluoro-7-(2-fluoro-6-hydroxyphenyl)-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]-1-[2-[1-(trifluoromethyl)cyclopropyl]phenyl]pyrido[2,3-d]pyrimidin-2-one has a molecular weight of 2270.41 g/mol, XLogP of 18.99, 22 rotatable bonds, 2 hydrogen bond donors, and 29 hydrogen bond acceptors.

Where does this data come from?

All data for bis(6-chloro-1-(2,6-diethylphenyl)-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]-7-[(3S)-3-methylpyrrolidin-1-yl]pyrido[2,3-d]pyrimidin-2-one);6-fluoro-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-fluoro-7-(2-fluoro-6-hydroxyphenyl)-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]-1-[2-[1-(trifluoromethyl)cyclopropyl]phenyl]pyrido[2,3-d]pyrimidin-2-one is sourced from PubChem (CID 160880092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).