1-[2-[(Z)-6-[4-[1-[5-[3-[4-[7-(2-amino-6-fluorophenyl)-6-chloro-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-2-oxopyrido[2,3-d]pyrimidin-4-yl]-2,6-dimethylpiperazin-1-yl]-3-oxoprop-1-enyl]-4-methyl-2-propan-2-yl-3-pyridinyl]-6-chloro-7-(2-fluoro-6-hydroxyphenyl)-2-oxopyrido[2,3-d]pyrimidin-4-yl]-2,6-dimethylpiperazin-1-yl]-6-oxohex-4-en-2-yl]-4-methyl-3-pyridinyl]-6-chloro-4-(3,5-dimethyl-4-prop-2-enoylpiperazin-1-yl)-7-(2-fluorophenyl)pyrido[2,3-d]pyrimidin-2-one

C93H93Cl3F3N19O7 — CID 167152569

About 1-[2-[(Z)-6-[4-[1-[5-[3-[4-[7-(2-amino-6-fluorophenyl)-6-chloro-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-2-oxopyrido[2,3-d]pyrimidin-4-yl]-2,6-dimethylpiperazin-1-yl]-3-oxoprop-1-enyl]-4-methyl-2-propan-2-yl-3-pyridinyl]-6-chloro-7-(2-fluoro-6-hydroxyphenyl)-2-oxopyrido[2,3-d]pyrimidin-4-yl]-2,6-dimethylpiperazin-1-yl]-6-oxohex-4-en-2-yl]-4-methyl-3-pyridinyl]-6-chloro-4-(3,5-dimethyl-4-prop-2-enoylpiperazin-1-yl)-7-(2-fluorophenyl)pyrido[2,3-d]pyrimidin-2-one

1-[2-[(Z)-6-[4-[1-[5-[3-[4-[7-(2-amino-6-fluorophenyl)-6-chloro-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-2-oxopyrido[2,3-d]pyrimidin-4-yl]-2,6-dimethylpiperazin-1-yl]-3-oxoprop-1-enyl]-4-methyl-2-propan-2-yl-3-pyridinyl]-6-chloro-7-(2-fluoro-6-hydroxyphenyl)-2-oxopyrido[2,3-d]pyrimidin-4-yl]-2,6-dimethylpiperazin-1-yl]-6-oxohex-4-en-2-yl]-4-methyl-3-pyridinyl]-6-chloro-4-(3,5-dimethyl-4-prop-2-enoylpiperazin-1-yl)-7-(2-fluorophenyl)pyrido[2,3-d]pyrimidin-2-one (PubChem CID 167152569) has the molecular formula C93H93Cl3F3N19O7 and a molecular weight of 1752.25 g/mol. Its IUPAC name is 1-[2-[(Z)-6-[4-[1-[5-[3-[4-[7-(2-amino-6-fluorophenyl)-6-chloro-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-2-oxopyrido[2,3-d]pyrimidin-4-yl]-2,6-dimethylpiperazin-1-yl]-3-oxoprop-1-enyl]-4-methyl-2-propan-2-yl-3-pyridinyl]-6-chloro-7-(2-fluoro-6-hydroxyphenyl)-2-oxopyrido[2,3-d]pyrimidin-4-yl]-2,6-dimethylpiperazin-1-yl]-6-oxohex-4-en-2-yl]-4-methyl-3-pyridinyl]-6-chloro-4-(3,5-dimethyl-4-prop-2-enoylpiperazin-1-yl)-7-(2-fluorophenyl)pyrido[2,3-d]pyrimidin-2-one.

Molecular Properties

• Compound Name: 1-[2-[(Z)-6-[4-[1-[5-[3-[4-[7-(2-amino-6-fluorophenyl)-6-chloro-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-2-oxopyrido[2,3-d]pyrimidin-4-yl]-2,6-dimethylpiperazin-1-yl]-3-oxoprop-1-enyl]-4-methyl-2-propan-2-yl-3-pyridinyl]-6-chloro-7-(2-fluoro-6-hydroxyphenyl)-2-oxopyrido[2,3-d]pyrimidin-4-yl]-2,6-dimethylpiperazin-1-yl]-6-oxohex-4-en-2-yl]-4-methyl-3-pyridinyl]-6-chloro-4-(3,5-dimethyl-4-prop-2-enoylpiperazin-1-yl)-7-(2-fluorophenyl)pyrido[2,3-d]pyrimidin-2-one
• PubChem CID: 167152569
• Molecular Formula: C93H93Cl3F3N19O7
• Molecular Weight: 1752.25 g/mol
• Exact Mass: 1749.65
• IUPAC Name: 1-[2-[(Z)-6-[4-[1-[5-[3-[4-[7-(2-amino-6-fluorophenyl)-6-chloro-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-2-oxopyrido[2,3-d]pyrimidin-4-yl]-2,6-dimethylpiperazin-1-yl]-3-oxoprop-1-enyl]-4-methyl-2-propan-2-yl-3-pyridinyl]-6-chloro-7-(2-fluoro-6-hydroxyphenyl)-2-oxopyrido[2,3-d]pyrimidin-4-yl]-2,6-dimethylpiperazin-1-yl]-6-oxohex-4-en-2-yl]-4-methyl-3-pyridinyl]-6-chloro-4-(3,5-dimethyl-4-prop-2-enoylpiperazin-1-yl)-7-(2-fluorophenyl)pyrido[2,3-d]pyrimidin-2-one
• SMILES: C=CC(=O)N1C(C)CN(c2nc(=O)n(-c3c(C)ccnc3C(C)C/C=C\C(=O)N3C(C)CN(c4nc(=O)n(-c5c(C(C)C)ncc(C=CC(=O)N6C(C)CN(c7nc(=O)n(-c8c(C)ccnc8C(C)C)c8nc(-c9c(N)cccc9F)c(Cl)cc78)CC6C)c5C)c5nc(-c6c(O)cccc6F)c(Cl)cc45)CC3C)c3nc(-c4ccccc4F)c(Cl)cc23)CC1C
• InChI: InChI=1S/C93H93Cl3F3N19O7/c1-16-71(120)113-51(9)40-110(41-52(113)10)85-60-36-63(94)79(59-23-17-18-24-66(59)97)104-88(60)117(92(124)108-85)83-50(8)33-35-102-78(83)48(6)22-19-29-72(121)114-53(11)42-111(43-54(114)12)87-62-38-65(96)81(75-68(99)26-21-28-70(75)119)106-90(62)118(93(125)109-87)84-57(15)58(39-103-77(84)47(4)5)30-31-73(122)115-55(13)44-112(45-56(115)14)86-61-37-64(95)80(74-67(98)25-20-27-69(74)100)105-89(61)116(91(123)107-86)82-49(7)32-34-101-76(82)46(2)3/h16-21,23-39,46-48,51-56,119H,1,22,40-45,100H2,2-15H3/b29-19-,31-30?
• InChIKey: MGUDGEITLPWQTH-HCAXPBDKSA-N
• XLogP: 15.92
• TPSA: 298.91 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 23
• Rotatable Bonds: 18
• Heavy Atoms: 125
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1752.25
LogP ≤ 5	15.92
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	23

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(Z)-6-[4-[1-[5-[3-[4-[7-(2-amino-6-fluorophenyl)-6-chloro-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-2-oxopyrido[2,3-d]pyrimidin-4-yl]-2,6-dimethylpiperazin-1-yl]-3-oxoprop-1-enyl]-4-methyl-2-propan-2-yl-3-pyridinyl]-6-chloro-7-(2-fluoro-6-hydroxyphenyl)-2-oxopyrido[2,3-d]pyrimidin-4-yl]-2,6-dimethylpiperazin-1-yl]-6-oxohex-4-en-2-yl]-4-methyl-3-pyridinyl]-6-chloro-4-(3,5-dimethyl-4-prop-2-enoylpiperazin-1-yl)-7-(2-fluorophenyl)pyrido[2,3-d]pyrimidin-2-one?

The IUPAC name of 1-[2-[(Z)-6-[4-[1-[5-[3-[4-[7-(2-amino-6-fluorophenyl)-6-chloro-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-2-oxopyrido[2,3-d]pyrimidin-4-yl]-2,6-dimethylpiperazin-1-yl]-3-oxoprop-1-enyl]-4-methyl-2-propan-2-yl-3-pyridinyl]-6-chloro-7-(2-fluoro-6-hydroxyphenyl)-2-oxopyrido[2,3-d]pyrimidin-4-yl]-2,6-dimethylpiperazin-1-yl]-6-oxohex-4-en-2-yl]-4-methyl-3-pyridinyl]-6-chloro-4-(3,5-dimethyl-4-prop-2-enoylpiperazin-1-yl)-7-(2-fluorophenyl)pyrido[2,3-d]pyrimidin-2-one (CID 167152569) is 1-[2-[(Z)-6-[4-[1-[5-[3-[4-[7-(2-amino-6-fluorophenyl)-6-chloro-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-2-oxopyrido[2,3-d]pyrimidin-4-yl]-2,6-dimethylpiperazin-1-yl]-3-oxoprop-1-enyl]-4-methyl-2-propan-2-yl-3-pyridinyl]-6-chloro-7-(2-fluoro-6-hydroxyphenyl)-2-oxopyrido[2,3-d]pyrimidin-4-yl]-2,6-dimethylpiperazin-1-yl]-6-oxohex-4-en-2-yl]-4-methyl-3-pyridinyl]-6-chloro-4-(3,5-dimethyl-4-prop-2-enoylpiperazin-1-yl)-7-(2-fluorophenyl)pyrido[2,3-d]pyrimidin-2-one.

What is the SMILES notation for 1-[2-[(Z)-6-[4-[1-[5-[3-[4-[7-(2-amino-6-fluorophenyl)-6-chloro-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-2-oxopyrido[2,3-d]pyrimidin-4-yl]-2,6-dimethylpiperazin-1-yl]-3-oxoprop-1-enyl]-4-methyl-2-propan-2-yl-3-pyridinyl]-6-chloro-7-(2-fluoro-6-hydroxyphenyl)-2-oxopyrido[2,3-d]pyrimidin-4-yl]-2,6-dimethylpiperazin-1-yl]-6-oxohex-4-en-2-yl]-4-methyl-3-pyridinyl]-6-chloro-4-(3,5-dimethyl-4-prop-2-enoylpiperazin-1-yl)-7-(2-fluorophenyl)pyrido[2,3-d]pyrimidin-2-one?

The canonical SMILES for 1-[2-[(Z)-6-[4-[1-[5-[3-[4-[7-(2-amino-6-fluorophenyl)-6-chloro-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-2-oxopyrido[2,3-d]pyrimidin-4-yl]-2,6-dimethylpiperazin-1-yl]-3-oxoprop-1-enyl]-4-methyl-2-propan-2-yl-3-pyridinyl]-6-chloro-7-(2-fluoro-6-hydroxyphenyl)-2-oxopyrido[2,3-d]pyrimidin-4-yl]-2,6-dimethylpiperazin-1-yl]-6-oxohex-4-en-2-yl]-4-methyl-3-pyridinyl]-6-chloro-4-(3,5-dimethyl-4-prop-2-enoylpiperazin-1-yl)-7-(2-fluorophenyl)pyrido[2,3-d]pyrimidin-2-one is C=CC(=O)N1C(C)CN(c2nc(=O)n(-c3c(C)ccnc3C(C)C/C=C\C(=O)N3C(C)CN(c4nc(=O)n(-c5c(C(C)C)ncc(C=CC(=O)N6C(C)CN(c7nc(=O)n(-c8c(C)ccnc8C(C)C)c8nc(-c9c(N)cccc9F)c(Cl)cc78)CC6C)c5C)c5nc(-c6c(O)cccc6F)c(Cl)cc45)CC3C)c3nc(-c4ccccc4F)c(Cl)cc23)CC1C.

What is the InChIKey of 1-[2-[(Z)-6-[4-[1-[5-[3-[4-[7-(2-amino-6-fluorophenyl)-6-chloro-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-2-oxopyrido[2,3-d]pyrimidin-4-yl]-2,6-dimethylpiperazin-1-yl]-3-oxoprop-1-enyl]-4-methyl-2-propan-2-yl-3-pyridinyl]-6-chloro-7-(2-fluoro-6-hydroxyphenyl)-2-oxopyrido[2,3-d]pyrimidin-4-yl]-2,6-dimethylpiperazin-1-yl]-6-oxohex-4-en-2-yl]-4-methyl-3-pyridinyl]-6-chloro-4-(3,5-dimethyl-4-prop-2-enoylpiperazin-1-yl)-7-(2-fluorophenyl)pyrido[2,3-d]pyrimidin-2-one?

The InChIKey is MGUDGEITLPWQTH-HCAXPBDKSA-N. The full InChI is InChI=1S/C93H93Cl3F3N19O7/c1-16-71(120)113-51(9)40-110(41-52(113)10)85-60-36-63(94)79(59-23-17-18-24-66(59)97)104-88(60)117(92(124)108-85)83-50(8)33-35-102-78(83)48(6)22-19-29-72(121)114-53(11)42-111(43-54(114)12)87-62-38-65(96)81(75-68(99)26-21-28-70(75)119)106-90(62)118(93(125)109-87)84-57(15)58(39-103-77(84)47(4)5)30-31-73(122)115-55(13)44-112(45-56(115)14)86-61-37-64(95)80(74-67(98)25-20-27-69(74)100)105-89(61)116(91(123)107-86)82-49(7)32-34-101-76(82)46(2)3/h16-21,23-39,46-48,51-56,119H,1,22,40-45,100H2,2-15H3/b29-19-,31-30?.

What are the key properties of 1-[2-[(Z)-6-[4-[1-[5-[3-[4-[7-(2-amino-6-fluorophenyl)-6-chloro-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-2-oxopyrido[2,3-d]pyrimidin-4-yl]-2,6-dimethylpiperazin-1-yl]-3-oxoprop-1-enyl]-4-methyl-2-propan-2-yl-3-pyridinyl]-6-chloro-7-(2-fluoro-6-hydroxyphenyl)-2-oxopyrido[2,3-d]pyrimidin-4-yl]-2,6-dimethylpiperazin-1-yl]-6-oxohex-4-en-2-yl]-4-methyl-3-pyridinyl]-6-chloro-4-(3,5-dimethyl-4-prop-2-enoylpiperazin-1-yl)-7-(2-fluorophenyl)pyrido[2,3-d]pyrimidin-2-one?

1-[2-[(Z)-6-[4-[1-[5-[3-[4-[7-(2-amino-6-fluorophenyl)-6-chloro-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-2-oxopyrido[2,3-d]pyrimidin-4-yl]-2,6-dimethylpiperazin-1-yl]-3-oxoprop-1-enyl]-4-methyl-2-propan-2-yl-3-pyridinyl]-6-chloro-7-(2-fluoro-6-hydroxyphenyl)-2-oxopyrido[2,3-d]pyrimidin-4-yl]-2,6-dimethylpiperazin-1-yl]-6-oxohex-4-en-2-yl]-4-methyl-3-pyridinyl]-6-chloro-4-(3,5-dimethyl-4-prop-2-enoylpiperazin-1-yl)-7-(2-fluorophenyl)pyrido[2,3-d]pyrimidin-2-one has a molecular weight of 1752.25 g/mol, XLogP of 15.92, 18 rotatable bonds, 2 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[2-[(Z)-6-[4-[1-[5-[3-[4-[7-(2-amino-6-fluorophenyl)-6-chloro-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-2-oxopyrido[2,3-d]pyrimidin-4-yl]-2,6-dimethylpiperazin-1-yl]-3-oxoprop-1-enyl]-4-methyl-2-propan-2-yl-3-pyridinyl]-6-chloro-7-(2-fluoro-6-hydroxyphenyl)-2-oxopyrido[2,3-d]pyrimidin-4-yl]-2,6-dimethylpiperazin-1-yl]-6-oxohex-4-en-2-yl]-4-methyl-3-pyridinyl]-6-chloro-4-(3,5-dimethyl-4-prop-2-enoylpiperazin-1-yl)-7-(2-fluorophenyl)pyrido[2,3-d]pyrimidin-2-one is sourced from PubChem (CID 167152569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).