6-chloro-4-[4-[3-[5-[6-chloro-4-[4-[(Z)-3-[4-chloro-5-[6-chloro-4-(2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl)-7-(2-fluorophenyl)-2-oxopyrido[2,3-d]pyrimidin-1-yl]-6-propan-2-ylpyrimidin-2-yl]prop-2-enoyl]-2,5-dimethylpiperazin-1-yl]-7-(4,5-difluoro-2-hydroxyphenyl)-2-oxopyrido[2,3-d]pyrimidin-1-yl]-4-methyl-6-propan-2-yl-3-pyridinyl]propanoyl]-2,5-dimethylpiperazin-1-yl]-1-(2,2-dimethylpropyl)-7-(2-fluorophenyl)pyrido[2,3-d]pyrimidin-2-one

C87H88Cl4F4N18O7 — CID 147038900

About 6-chloro-4-[4-[3-[5-[6-chloro-4-[4-[(Z)-3-[4-chloro-5-[6-chloro-4-(2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl)-7-(2-fluorophenyl)-2-oxopyrido[2,3-d]pyrimidin-1-yl]-6-propan-2-ylpyrimidin-2-yl]prop-2-enoyl]-2,5-dimethylpiperazin-1-yl]-7-(4,5-difluoro-2-hydroxyphenyl)-2-oxopyrido[2,3-d]pyrimidin-1-yl]-4-methyl-6-propan-2-yl-3-pyridinyl]propanoyl]-2,5-dimethylpiperazin-1-yl]-1-(2,2-dimethylpropyl)-7-(2-fluorophenyl)pyrido[2,3-d]pyrimidin-2-one

6-chloro-4-[4-[3-[5-[6-chloro-4-[4-[(Z)-3-[4-chloro-5-[6-chloro-4-(2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl)-7-(2-fluorophenyl)-2-oxopyrido[2,3-d]pyrimidin-1-yl]-6-propan-2-ylpyrimidin-2-yl]prop-2-enoyl]-2,5-dimethylpiperazin-1-yl]-7-(4,5-difluoro-2-hydroxyphenyl)-2-oxopyrido[2,3-d]pyrimidin-1-yl]-4-methyl-6-propan-2-yl-3-pyridinyl]propanoyl]-2,5-dimethylpiperazin-1-yl]-1-(2,2-dimethylpropyl)-7-(2-fluorophenyl)pyrido[2,3-d]pyrimidin-2-one (PubChem CID 147038900) has the molecular formula C87H88Cl4F4N18O7 and a molecular weight of 1715.58 g/mol. Its IUPAC name is 6-chloro-4-[4-[3-[5-[6-chloro-4-[4-[(Z)-3-[4-chloro-5-[6-chloro-4-(2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl)-7-(2-fluorophenyl)-2-oxopyrido[2,3-d]pyrimidin-1-yl]-6-propan-2-ylpyrimidin-2-yl]prop-2-enoyl]-2,5-dimethylpiperazin-1-yl]-7-(4,5-difluoro-2-hydroxyphenyl)-2-oxopyrido[2,3-d]pyrimidin-1-yl]-4-methyl-6-propan-2-yl-3-pyridinyl]propanoyl]-2,5-dimethylpiperazin-1-yl]-1-(2,2-dimethylpropyl)-7-(2-fluorophenyl)pyrido[2,3-d]pyrimidin-2-one.

Molecular Properties

• Compound Name: 6-chloro-4-[4-[3-[5-[6-chloro-4-[4-[(Z)-3-[4-chloro-5-[6-chloro-4-(2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl)-7-(2-fluorophenyl)-2-oxopyrido[2,3-d]pyrimidin-1-yl]-6-propan-2-ylpyrimidin-2-yl]prop-2-enoyl]-2,5-dimethylpiperazin-1-yl]-7-(4,5-difluoro-2-hydroxyphenyl)-2-oxopyrido[2,3-d]pyrimidin-1-yl]-4-methyl-6-propan-2-yl-3-pyridinyl]propanoyl]-2,5-dimethylpiperazin-1-yl]-1-(2,2-dimethylpropyl)-7-(2-fluorophenyl)pyrido[2,3-d]pyrimidin-2-one
• PubChem CID: 147038900
• Molecular Formula: C87H88Cl4F4N18O7
• Molecular Weight: 1715.58 g/mol
• Exact Mass: 1712.58
• IUPAC Name: 6-chloro-4-[4-[3-[5-[6-chloro-4-[4-[(Z)-3-[4-chloro-5-[6-chloro-4-(2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl)-7-(2-fluorophenyl)-2-oxopyrido[2,3-d]pyrimidin-1-yl]-6-propan-2-ylpyrimidin-2-yl]prop-2-enoyl]-2,5-dimethylpiperazin-1-yl]-7-(4,5-difluoro-2-hydroxyphenyl)-2-oxopyrido[2,3-d]pyrimidin-1-yl]-4-methyl-6-propan-2-yl-3-pyridinyl]propanoyl]-2,5-dimethylpiperazin-1-yl]-1-(2,2-dimethylpropyl)-7-(2-fluorophenyl)pyrido[2,3-d]pyrimidin-2-one
• SMILES: C=CC(=O)N1CC(C)N(c2nc(=O)n(-c3c(Cl)nc(/C=C\C(=O)N4CC(C)N(c5nc(=O)n(-c6c(C(C)C)ncc(CCC(=O)N7CC(C)N(c8nc(=O)n(CC(C)(C)C)c9nc(-c%10ccccc%10F)c(Cl)cc89)CC7C)c6C)c6nc(-c7cc(F)c(F)cc7O)c(Cl)cc56)CC4C)nc3C(C)C)c3nc(-c4ccccc4F)c(Cl)cc23)CC1C
• InChI: InChI=1S/C87H88Cl4F4N18O7/c1-16-67(115)105-35-47(9)109(38-44(105)6)81-57-30-59(89)73(53-22-18-20-24-62(53)93)100-83(57)113(86(120)104-81)76-71(43(4)5)97-66(98-77(76)91)26-28-69(117)107-37-49(11)110(40-46(107)8)80-56-31-60(90)74(54-32-63(94)64(95)33-65(54)114)101-82(56)112(85(119)103-80)75-50(12)51(34-96-70(75)42(2)3)25-27-68(116)106-36-48(10)108(39-45(106)7)79-55-29-58(88)72(52-21-17-19-23-61(52)92)99-78(55)111(84(118)102-79)41-87(13,14)15/h16-24,26,28-34,42-49,114H,1,25,27,35-41H2,2-15H3/b28-26-
• InChIKey: AZBIORDRTDUDNU-SGEDCAFJSA-N
• XLogP: 15.45
• TPSA: 272.89 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 22
• Rotatable Bonds: 17
• Heavy Atoms: 120
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1715.58
LogP ≤ 5	15.45
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	22

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 6-chloro-4-[4-[3-[5-[6-chloro-4-[4-[(Z)-3-[4-chloro-5-[6-chloro-4-(2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl)-7-(2-fluorophenyl)-2-oxopyrido[2,3-d]pyrimidin-1-yl]-6-propan-2-ylpyrimidin-2-yl]prop-2-enoyl]-2,5-dimethylpiperazin-1-yl]-7-(4,5-difluoro-2-hydroxyphenyl)-2-oxopyrido[2,3-d]pyrimidin-1-yl]-4-methyl-6-propan-2-yl-3-pyridinyl]propanoyl]-2,5-dimethylpiperazin-1-yl]-1-(2,2-dimethylpropyl)-7-(2-fluorophenyl)pyrido[2,3-d]pyrimidin-2-one?

The IUPAC name of 6-chloro-4-[4-[3-[5-[6-chloro-4-[4-[(Z)-3-[4-chloro-5-[6-chloro-4-(2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl)-7-(2-fluorophenyl)-2-oxopyrido[2,3-d]pyrimidin-1-yl]-6-propan-2-ylpyrimidin-2-yl]prop-2-enoyl]-2,5-dimethylpiperazin-1-yl]-7-(4,5-difluoro-2-hydroxyphenyl)-2-oxopyrido[2,3-d]pyrimidin-1-yl]-4-methyl-6-propan-2-yl-3-pyridinyl]propanoyl]-2,5-dimethylpiperazin-1-yl]-1-(2,2-dimethylpropyl)-7-(2-fluorophenyl)pyrido[2,3-d]pyrimidin-2-one (CID 147038900) is 6-chloro-4-[4-[3-[5-[6-chloro-4-[4-[(Z)-3-[4-chloro-5-[6-chloro-4-(2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl)-7-(2-fluorophenyl)-2-oxopyrido[2,3-d]pyrimidin-1-yl]-6-propan-2-ylpyrimidin-2-yl]prop-2-enoyl]-2,5-dimethylpiperazin-1-yl]-7-(4,5-difluoro-2-hydroxyphenyl)-2-oxopyrido[2,3-d]pyrimidin-1-yl]-4-methyl-6-propan-2-yl-3-pyridinyl]propanoyl]-2,5-dimethylpiperazin-1-yl]-1-(2,2-dimethylpropyl)-7-(2-fluorophenyl)pyrido[2,3-d]pyrimidin-2-one.

What is the SMILES notation for 6-chloro-4-[4-[3-[5-[6-chloro-4-[4-[(Z)-3-[4-chloro-5-[6-chloro-4-(2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl)-7-(2-fluorophenyl)-2-oxopyrido[2,3-d]pyrimidin-1-yl]-6-propan-2-ylpyrimidin-2-yl]prop-2-enoyl]-2,5-dimethylpiperazin-1-yl]-7-(4,5-difluoro-2-hydroxyphenyl)-2-oxopyrido[2,3-d]pyrimidin-1-yl]-4-methyl-6-propan-2-yl-3-pyridinyl]propanoyl]-2,5-dimethylpiperazin-1-yl]-1-(2,2-dimethylpropyl)-7-(2-fluorophenyl)pyrido[2,3-d]pyrimidin-2-one?

The canonical SMILES for 6-chloro-4-[4-[3-[5-[6-chloro-4-[4-[(Z)-3-[4-chloro-5-[6-chloro-4-(2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl)-7-(2-fluorophenyl)-2-oxopyrido[2,3-d]pyrimidin-1-yl]-6-propan-2-ylpyrimidin-2-yl]prop-2-enoyl]-2,5-dimethylpiperazin-1-yl]-7-(4,5-difluoro-2-hydroxyphenyl)-2-oxopyrido[2,3-d]pyrimidin-1-yl]-4-methyl-6-propan-2-yl-3-pyridinyl]propanoyl]-2,5-dimethylpiperazin-1-yl]-1-(2,2-dimethylpropyl)-7-(2-fluorophenyl)pyrido[2,3-d]pyrimidin-2-one is C=CC(=O)N1CC(C)N(c2nc(=O)n(-c3c(Cl)nc(/C=C\C(=O)N4CC(C)N(c5nc(=O)n(-c6c(C(C)C)ncc(CCC(=O)N7CC(C)N(c8nc(=O)n(CC(C)(C)C)c9nc(-c%10ccccc%10F)c(Cl)cc89)CC7C)c6C)c6nc(-c7cc(F)c(F)cc7O)c(Cl)cc56)CC4C)nc3C(C)C)c3nc(-c4ccccc4F)c(Cl)cc23)CC1C.

What is the InChIKey of 6-chloro-4-[4-[3-[5-[6-chloro-4-[4-[(Z)-3-[4-chloro-5-[6-chloro-4-(2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl)-7-(2-fluorophenyl)-2-oxopyrido[2,3-d]pyrimidin-1-yl]-6-propan-2-ylpyrimidin-2-yl]prop-2-enoyl]-2,5-dimethylpiperazin-1-yl]-7-(4,5-difluoro-2-hydroxyphenyl)-2-oxopyrido[2,3-d]pyrimidin-1-yl]-4-methyl-6-propan-2-yl-3-pyridinyl]propanoyl]-2,5-dimethylpiperazin-1-yl]-1-(2,2-dimethylpropyl)-7-(2-fluorophenyl)pyrido[2,3-d]pyrimidin-2-one?

The InChIKey is AZBIORDRTDUDNU-SGEDCAFJSA-N. The full InChI is InChI=1S/C87H88Cl4F4N18O7/c1-16-67(115)105-35-47(9)109(38-44(105)6)81-57-30-59(89)73(53-22-18-20-24-62(53)93)100-83(57)113(86(120)104-81)76-71(43(4)5)97-66(98-77(76)91)26-28-69(117)107-37-49(11)110(40-46(107)8)80-56-31-60(90)74(54-32-63(94)64(95)33-65(54)114)101-82(56)112(85(119)103-80)75-50(12)51(34-96-70(75)42(2)3)25-27-68(116)106-36-48(10)108(39-45(106)7)79-55-29-58(88)72(52-21-17-19-23-61(52)92)99-78(55)111(84(118)102-79)41-87(13,14)15/h16-24,26,28-34,42-49,114H,1,25,27,35-41H2,2-15H3/b28-26-.

What are the key properties of 6-chloro-4-[4-[3-[5-[6-chloro-4-[4-[(Z)-3-[4-chloro-5-[6-chloro-4-(2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl)-7-(2-fluorophenyl)-2-oxopyrido[2,3-d]pyrimidin-1-yl]-6-propan-2-ylpyrimidin-2-yl]prop-2-enoyl]-2,5-dimethylpiperazin-1-yl]-7-(4,5-difluoro-2-hydroxyphenyl)-2-oxopyrido[2,3-d]pyrimidin-1-yl]-4-methyl-6-propan-2-yl-3-pyridinyl]propanoyl]-2,5-dimethylpiperazin-1-yl]-1-(2,2-dimethylpropyl)-7-(2-fluorophenyl)pyrido[2,3-d]pyrimidin-2-one?

6-chloro-4-[4-[3-[5-[6-chloro-4-[4-[(Z)-3-[4-chloro-5-[6-chloro-4-(2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl)-7-(2-fluorophenyl)-2-oxopyrido[2,3-d]pyrimidin-1-yl]-6-propan-2-ylpyrimidin-2-yl]prop-2-enoyl]-2,5-dimethylpiperazin-1-yl]-7-(4,5-difluoro-2-hydroxyphenyl)-2-oxopyrido[2,3-d]pyrimidin-1-yl]-4-methyl-6-propan-2-yl-3-pyridinyl]propanoyl]-2,5-dimethylpiperazin-1-yl]-1-(2,2-dimethylpropyl)-7-(2-fluorophenyl)pyrido[2,3-d]pyrimidin-2-one has a molecular weight of 1715.58 g/mol, XLogP of 15.45, 17 rotatable bonds, 1 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for 6-chloro-4-[4-[3-[5-[6-chloro-4-[4-[(Z)-3-[4-chloro-5-[6-chloro-4-(2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl)-7-(2-fluorophenyl)-2-oxopyrido[2,3-d]pyrimidin-1-yl]-6-propan-2-ylpyrimidin-2-yl]prop-2-enoyl]-2,5-dimethylpiperazin-1-yl]-7-(4,5-difluoro-2-hydroxyphenyl)-2-oxopyrido[2,3-d]pyrimidin-1-yl]-4-methyl-6-propan-2-yl-3-pyridinyl]propanoyl]-2,5-dimethylpiperazin-1-yl]-1-(2,2-dimethylpropyl)-7-(2-fluorophenyl)pyrido[2,3-d]pyrimidin-2-one is sourced from PubChem (CID 147038900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).