6-chloro-1-[5-[(Z)-6-[(3S)-4-[6-chloro-1-(2,6-diethylphenyl)-2-hydroxy-7-(2-propan-2-ylphenyl)-2H-pyrido[2,3-d]pyrimidin-4-yl]-3-methylpiperazin-1-yl]-6-oxohex-4-en-2-yl]-3-propan-2-yl-1H-pyrazol-4-yl]-7-(2-fluorophenyl)-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]pyrido[2,3-d]pyrimidin-2-one

C64H71Cl2FN12O4 — CID 146254567

About 6-chloro-1-[5-[(Z)-6-[(3S)-4-[6-chloro-1-(2,6-diethylphenyl)-2-hydroxy-7-(2-propan-2-ylphenyl)-2H-pyrido[2,3-d]pyrimidin-4-yl]-3-methylpiperazin-1-yl]-6-oxohex-4-en-2-yl]-3-propan-2-yl-1H-pyrazol-4-yl]-7-(2-fluorophenyl)-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]pyrido[2,3-d]pyrimidin-2-one

6-chloro-1-[5-[(Z)-6-[(3S)-4-[6-chloro-1-(2,6-diethylphenyl)-2-hydroxy-7-(2-propan-2-ylphenyl)-2H-pyrido[2,3-d]pyrimidin-4-yl]-3-methylpiperazin-1-yl]-6-oxohex-4-en-2-yl]-3-propan-2-yl-1H-pyrazol-4-yl]-7-(2-fluorophenyl)-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]pyrido[2,3-d]pyrimidin-2-one (PubChem CID 146254567) has the molecular formula C64H71Cl2FN12O4 and a molecular weight of 1162.26 g/mol. Its IUPAC name is 6-chloro-1-[5-[(Z)-6-[(3S)-4-[6-chloro-1-(2,6-diethylphenyl)-2-hydroxy-7-(2-propan-2-ylphenyl)-2H-pyrido[2,3-d]pyrimidin-4-yl]-3-methylpiperazin-1-yl]-6-oxohex-4-en-2-yl]-3-propan-2-yl-1H-pyrazol-4-yl]-7-(2-fluorophenyl)-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]pyrido[2,3-d]pyrimidin-2-one.

Molecular Properties

• Compound Name: 6-chloro-1-[5-[(Z)-6-[(3S)-4-[6-chloro-1-(2,6-diethylphenyl)-2-hydroxy-7-(2-propan-2-ylphenyl)-2H-pyrido[2,3-d]pyrimidin-4-yl]-3-methylpiperazin-1-yl]-6-oxohex-4-en-2-yl]-3-propan-2-yl-1H-pyrazol-4-yl]-7-(2-fluorophenyl)-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]pyrido[2,3-d]pyrimidin-2-one
• PubChem CID: 146254567
• Molecular Formula: C64H71Cl2FN12O4
• Molecular Weight: 1162.26 g/mol
• Exact Mass: 1160.51
• IUPAC Name: 6-chloro-1-[5-[(Z)-6-[(3S)-4-[6-chloro-1-(2,6-diethylphenyl)-2-hydroxy-7-(2-propan-2-ylphenyl)-2H-pyrido[2,3-d]pyrimidin-4-yl]-3-methylpiperazin-1-yl]-6-oxohex-4-en-2-yl]-3-propan-2-yl-1H-pyrazol-4-yl]-7-(2-fluorophenyl)-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(C)C)n[nH]c3C(C)C/C=C\C(=O)N3CCN(C4=NC(O)N(c5c(CC)cccc5CC)c5nc(-c6ccccc6C(C)C)c(Cl)cc54)[C@@H](C)C3)c3nc(-c4ccccc4F)c(Cl)cc23)[C@@H](C)C1
• InChI: InChI=1S/C64H71Cl2FN12O4/c1-11-41-21-19-22-42(12-2)57(41)78-61-46(32-48(65)55(68-61)44-24-15-14-23-43(44)36(4)5)59(70-63(78)82)77-31-29-75(35-40(77)10)52(81)27-18-20-38(8)54-58(53(37(6)7)72-73-54)79-62-47(33-49(66)56(69-62)45-25-16-17-26-50(45)67)60(71-64(79)83)76-30-28-74(34-39(76)9)51(80)13-3/h13-19,21-27,32-33,36-40,63,82H,3,11-12,20,28-31,34-35H2,1-2,4-10H3,(H,72,73)/b27-18-/t38?,39-,40-,63?/m0/s1
• InChIKey: XLDIOUDOGRTHLE-VECZJULYSA-N
• XLogP: 11.73
• TPSA: 172.28 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 13
• Rotatable Bonds: 14
• Heavy Atoms: 83
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1162.26
LogP ≤ 5	11.73
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	13

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-[5-[(Z)-6-[(3S)-4-[6-chloro-1-(2,6-diethylphenyl)-2-hydroxy-7-(2-propan-2-ylphenyl)-2H-pyrido[2,3-d]pyrimidin-4-yl]-3-methylpiperazin-1-yl]-6-oxohex-4-en-2-yl]-3-propan-2-yl-1H-pyrazol-4-yl]-7-(2-fluorophenyl)-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]pyrido[2,3-d]pyrimidin-2-one?

The IUPAC name of 6-chloro-1-[5-[(Z)-6-[(3S)-4-[6-chloro-1-(2,6-diethylphenyl)-2-hydroxy-7-(2-propan-2-ylphenyl)-2H-pyrido[2,3-d]pyrimidin-4-yl]-3-methylpiperazin-1-yl]-6-oxohex-4-en-2-yl]-3-propan-2-yl-1H-pyrazol-4-yl]-7-(2-fluorophenyl)-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]pyrido[2,3-d]pyrimidin-2-one (CID 146254567) is 6-chloro-1-[5-[(Z)-6-[(3S)-4-[6-chloro-1-(2,6-diethylphenyl)-2-hydroxy-7-(2-propan-2-ylphenyl)-2H-pyrido[2,3-d]pyrimidin-4-yl]-3-methylpiperazin-1-yl]-6-oxohex-4-en-2-yl]-3-propan-2-yl-1H-pyrazol-4-yl]-7-(2-fluorophenyl)-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-[5-[(Z)-6-[(3S)-4-[6-chloro-1-(2,6-diethylphenyl)-2-hydroxy-7-(2-propan-2-ylphenyl)-2H-pyrido[2,3-d]pyrimidin-4-yl]-3-methylpiperazin-1-yl]-6-oxohex-4-en-2-yl]-3-propan-2-yl-1H-pyrazol-4-yl]-7-(2-fluorophenyl)-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]pyrido[2,3-d]pyrimidin-2-one?

The canonical SMILES for 6-chloro-1-[5-[(Z)-6-[(3S)-4-[6-chloro-1-(2,6-diethylphenyl)-2-hydroxy-7-(2-propan-2-ylphenyl)-2H-pyrido[2,3-d]pyrimidin-4-yl]-3-methylpiperazin-1-yl]-6-oxohex-4-en-2-yl]-3-propan-2-yl-1H-pyrazol-4-yl]-7-(2-fluorophenyl)-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(C)C)n[nH]c3C(C)C/C=C\C(=O)N3CCN(C4=NC(O)N(c5c(CC)cccc5CC)c5nc(-c6ccccc6C(C)C)c(Cl)cc54)[C@@H](C)C3)c3nc(-c4ccccc4F)c(Cl)cc23)[C@@H](C)C1.

What is the InChIKey of 6-chloro-1-[5-[(Z)-6-[(3S)-4-[6-chloro-1-(2,6-diethylphenyl)-2-hydroxy-7-(2-propan-2-ylphenyl)-2H-pyrido[2,3-d]pyrimidin-4-yl]-3-methylpiperazin-1-yl]-6-oxohex-4-en-2-yl]-3-propan-2-yl-1H-pyrazol-4-yl]-7-(2-fluorophenyl)-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]pyrido[2,3-d]pyrimidin-2-one?

The InChIKey is XLDIOUDOGRTHLE-VECZJULYSA-N. The full InChI is InChI=1S/C64H71Cl2FN12O4/c1-11-41-21-19-22-42(12-2)57(41)78-61-46(32-48(65)55(68-61)44-24-15-14-23-43(44)36(4)5)59(70-63(78)82)77-31-29-75(35-40(77)10)52(81)27-18-20-38(8)54-58(53(37(6)7)72-73-54)79-62-47(33-49(66)56(69-62)45-25-16-17-26-50(45)67)60(71-64(79)83)76-30-28-74(34-39(76)9)51(80)13-3/h13-19,21-27,32-33,36-40,63,82H,3,11-12,20,28-31,34-35H2,1-2,4-10H3,(H,72,73)/b27-18-/t38?,39-,40-,63?/m0/s1.

What are the key properties of 6-chloro-1-[5-[(Z)-6-[(3S)-4-[6-chloro-1-(2,6-diethylphenyl)-2-hydroxy-7-(2-propan-2-ylphenyl)-2H-pyrido[2,3-d]pyrimidin-4-yl]-3-methylpiperazin-1-yl]-6-oxohex-4-en-2-yl]-3-propan-2-yl-1H-pyrazol-4-yl]-7-(2-fluorophenyl)-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]pyrido[2,3-d]pyrimidin-2-one?

6-chloro-1-[5-[(Z)-6-[(3S)-4-[6-chloro-1-(2,6-diethylphenyl)-2-hydroxy-7-(2-propan-2-ylphenyl)-2H-pyrido[2,3-d]pyrimidin-4-yl]-3-methylpiperazin-1-yl]-6-oxohex-4-en-2-yl]-3-propan-2-yl-1H-pyrazol-4-yl]-7-(2-fluorophenyl)-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]pyrido[2,3-d]pyrimidin-2-one has a molecular weight of 1162.26 g/mol, XLogP of 11.73, 14 rotatable bonds, 2 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for 6-chloro-1-[5-[(Z)-6-[(3S)-4-[6-chloro-1-(2,6-diethylphenyl)-2-hydroxy-7-(2-propan-2-ylphenyl)-2H-pyrido[2,3-d]pyrimidin-4-yl]-3-methylpiperazin-1-yl]-6-oxohex-4-en-2-yl]-3-propan-2-yl-1H-pyrazol-4-yl]-7-(2-fluorophenyl)-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]pyrido[2,3-d]pyrimidin-2-one is sourced from PubChem (CID 146254567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).