6-chloro-1-(2-chloro-4-methyl-6-propan-2-ylpyrimidin-5-yl)-4-(2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl)-7-(2-fluorophenyl)pyrido[2,3-d]pyrimidin-2-one

C30H30Cl2FN7O2 — CID 167103326

About 6-chloro-1-(2-chloro-4-methyl-6-propan-2-ylpyrimidin-5-yl)-4-(2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl)-7-(2-fluorophenyl)pyrido[2,3-d]pyrimidin-2-one

6-chloro-1-(2-chloro-4-methyl-6-propan-2-ylpyrimidin-5-yl)-4-(2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl)-7-(2-fluorophenyl)pyrido[2,3-d]pyrimidin-2-one (PubChem CID 167103326) has the molecular formula C30H30Cl2FN7O2 and a molecular weight of 610.52 g/mol. Its IUPAC name is 6-chloro-1-(2-chloro-4-methyl-6-propan-2-ylpyrimidin-5-yl)-4-(2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl)-7-(2-fluorophenyl)pyrido[2,3-d]pyrimidin-2-one.

Molecular Properties

• Compound Name: 6-chloro-1-(2-chloro-4-methyl-6-propan-2-ylpyrimidin-5-yl)-4-(2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl)-7-(2-fluorophenyl)pyrido[2,3-d]pyrimidin-2-one
• PubChem CID: 167103326
• Molecular Formula: C30H30Cl2FN7O2
• Molecular Weight: 610.52 g/mol
• Exact Mass: 609.18
• IUPAC Name: 6-chloro-1-(2-chloro-4-methyl-6-propan-2-ylpyrimidin-5-yl)-4-(2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl)-7-(2-fluorophenyl)pyrido[2,3-d]pyrimidin-2-one
• SMILES: C=CC(=O)N1CC(C)N(c2nc(=O)n(-c3c(C)nc(Cl)nc3C(C)C)c3nc(-c4ccccc4F)c(Cl)cc23)CC1C
• InChI: InChI=1S/C30H30Cl2FN7O2/c1-7-23(41)38-13-17(5)39(14-16(38)4)27-20-12-21(31)25(19-10-8-9-11-22(19)33)35-28(20)40(30(42)37-27)26-18(6)34-29(32)36-24(26)15(2)3/h7-12,15-17H,1,13-14H2,2-6H3
• InChIKey: SGWZAYHLIVMLOR-UHFFFAOYSA-N
• XLogP: 5.73
• TPSA: 97.11 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	610.52
LogP ≤ 5	5.73
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

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-chloro-4-methyl-6-propan-2-ylpyrimidin-5-yl)-4-(2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl)-7-(2-fluorophenyl)pyrido[2,3-d]pyrimidin-2-one?

The IUPAC name of 6-chloro-1-(2-chloro-4-methyl-6-propan-2-ylpyrimidin-5-yl)-4-(2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl)-7-(2-fluorophenyl)pyrido[2,3-d]pyrimidin-2-one (CID 167103326) is 6-chloro-1-(2-chloro-4-methyl-6-propan-2-ylpyrimidin-5-yl)-4-(2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl)-7-(2-fluorophenyl)pyrido[2,3-d]pyrimidin-2-one.

What is the SMILES notation for 6-chloro-1-(2-chloro-4-methyl-6-propan-2-ylpyrimidin-5-yl)-4-(2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl)-7-(2-fluorophenyl)pyrido[2,3-d]pyrimidin-2-one?

The canonical SMILES for 6-chloro-1-(2-chloro-4-methyl-6-propan-2-ylpyrimidin-5-yl)-4-(2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl)-7-(2-fluorophenyl)pyrido[2,3-d]pyrimidin-2-one is C=CC(=O)N1CC(C)N(c2nc(=O)n(-c3c(C)nc(Cl)nc3C(C)C)c3nc(-c4ccccc4F)c(Cl)cc23)CC1C.

What is the InChIKey of 6-chloro-1-(2-chloro-4-methyl-6-propan-2-ylpyrimidin-5-yl)-4-(2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl)-7-(2-fluorophenyl)pyrido[2,3-d]pyrimidin-2-one?

The InChIKey is SGWZAYHLIVMLOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H30Cl2FN7O2/c1-7-23(41)38-13-17(5)39(14-16(38)4)27-20-12-21(31)25(19-10-8-9-11-22(19)33)35-28(20)40(30(42)37-27)26-18(6)34-29(32)36-24(26)15(2)3/h7-12,15-17H,1,13-14H2,2-6H3.

What are the key properties of 6-chloro-1-(2-chloro-4-methyl-6-propan-2-ylpyrimidin-5-yl)-4-(2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl)-7-(2-fluorophenyl)pyrido[2,3-d]pyrimidin-2-one?

6-chloro-1-(2-chloro-4-methyl-6-propan-2-ylpyrimidin-5-yl)-4-(2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl)-7-(2-fluorophenyl)pyrido[2,3-d]pyrimidin-2-one has a molecular weight of 610.52 g/mol, XLogP of 5.73, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 6-chloro-1-(2-chloro-4-methyl-6-propan-2-ylpyrimidin-5-yl)-4-(2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl)-7-(2-fluorophenyl)pyrido[2,3-d]pyrimidin-2-one is sourced from PubChem (CID 167103326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).