6-[2-chloro-4-(2-fluoro-6-methyl-3-pyridinyl)phenyl]-8-ethyl-2-[4-(1-ethylpiperidin-4-yl)-3-fluoroanilino]pyrido[2,3-d]pyrimidin-7-one

C34H33ClF2N6O — CID 89473987

About 6-[2-chloro-4-(2-fluoro-6-methyl-3-pyridinyl)phenyl]-8-ethyl-2-[4-(1-ethylpiperidin-4-yl)-3-fluoroanilino]pyrido[2,3-d]pyrimidin-7-one

6-[2-chloro-4-(2-fluoro-6-methyl-3-pyridinyl)phenyl]-8-ethyl-2-[4-(1-ethylpiperidin-4-yl)-3-fluoroanilino]pyrido[2,3-d]pyrimidin-7-one (PubChem CID 89473987) has the molecular formula C34H33ClF2N6O and a molecular weight of 615.13 g/mol. Its IUPAC name is 6-[2-chloro-4-(2-fluoro-6-methyl-3-pyridinyl)phenyl]-8-ethyl-2-[4-(1-ethylpiperidin-4-yl)-3-fluoroanilino]pyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

• Compound Name: 6-[2-chloro-4-(2-fluoro-6-methyl-3-pyridinyl)phenyl]-8-ethyl-2-[4-(1-ethylpiperidin-4-yl)-3-fluoroanilino]pyrido[2,3-d]pyrimidin-7-one
• PubChem CID: 89473987
• Molecular Formula: C34H33ClF2N6O
• Molecular Weight: 615.13 g/mol
• Exact Mass: 614.24
• IUPAC Name: 6-[2-chloro-4-(2-fluoro-6-methyl-3-pyridinyl)phenyl]-8-ethyl-2-[4-(1-ethylpiperidin-4-yl)-3-fluoroanilino]pyrido[2,3-d]pyrimidin-7-one
• SMILES: CCN1CCC(c2ccc(Nc3ncc4cc(-c5ccc(-c6ccc(C)nc6F)cc5Cl)c(=O)n(CC)c4n3)cc2F)CC1
• InChI: InChI=1S/C34H33ClF2N6O/c1-4-42-14-12-21(13-15-42)25-11-8-24(18-30(25)36)40-34-38-19-23-16-28(33(44)43(5-2)32(23)41-34)27-10-7-22(17-29(27)35)26-9-6-20(3)39-31(26)37/h6-11,16-19,21H,4-5,12-15H2,1-3H3,(H,38,40,41)
• InChIKey: IUDZEYOGHDCVAT-UHFFFAOYSA-N
• XLogP: 7.72
• TPSA: 75.94 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	615.13
LogP ≤ 5	7.72
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 6-[2-chloro-4-(2-fluoro-6-methyl-3-pyridinyl)phenyl]-8-ethyl-2-[4-(1-ethylpiperidin-4-yl)-3-fluoroanilino]pyrido[2,3-d]pyrimidin-7-one?

The IUPAC name of 6-[2-chloro-4-(2-fluoro-6-methyl-3-pyridinyl)phenyl]-8-ethyl-2-[4-(1-ethylpiperidin-4-yl)-3-fluoroanilino]pyrido[2,3-d]pyrimidin-7-one (CID 89473987) is 6-[2-chloro-4-(2-fluoro-6-methyl-3-pyridinyl)phenyl]-8-ethyl-2-[4-(1-ethylpiperidin-4-yl)-3-fluoroanilino]pyrido[2,3-d]pyrimidin-7-one.

What is the SMILES notation for 6-[2-chloro-4-(2-fluoro-6-methyl-3-pyridinyl)phenyl]-8-ethyl-2-[4-(1-ethylpiperidin-4-yl)-3-fluoroanilino]pyrido[2,3-d]pyrimidin-7-one?

The canonical SMILES for 6-[2-chloro-4-(2-fluoro-6-methyl-3-pyridinyl)phenyl]-8-ethyl-2-[4-(1-ethylpiperidin-4-yl)-3-fluoroanilino]pyrido[2,3-d]pyrimidin-7-one is CCN1CCC(c2ccc(Nc3ncc4cc(-c5ccc(-c6ccc(C)nc6F)cc5Cl)c(=O)n(CC)c4n3)cc2F)CC1.

What is the InChIKey of 6-[2-chloro-4-(2-fluoro-6-methyl-3-pyridinyl)phenyl]-8-ethyl-2-[4-(1-ethylpiperidin-4-yl)-3-fluoroanilino]pyrido[2,3-d]pyrimidin-7-one?

The InChIKey is IUDZEYOGHDCVAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H33ClF2N6O/c1-4-42-14-12-21(13-15-42)25-11-8-24(18-30(25)36)40-34-38-19-23-16-28(33(44)43(5-2)32(23)41-34)27-10-7-22(17-29(27)35)26-9-6-20(3)39-31(26)37/h6-11,16-19,21H,4-5,12-15H2,1-3H3,(H,38,40,41).

What are the key properties of 6-[2-chloro-4-(2-fluoro-6-methyl-3-pyridinyl)phenyl]-8-ethyl-2-[4-(1-ethylpiperidin-4-yl)-3-fluoroanilino]pyrido[2,3-d]pyrimidin-7-one?

6-[2-chloro-4-(2-fluoro-6-methyl-3-pyridinyl)phenyl]-8-ethyl-2-[4-(1-ethylpiperidin-4-yl)-3-fluoroanilino]pyrido[2,3-d]pyrimidin-7-one has a molecular weight of 615.13 g/mol, XLogP of 7.72, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[2-chloro-4-(2-fluoro-6-methyl-3-pyridinyl)phenyl]-8-ethyl-2-[4-(1-ethylpiperidin-4-yl)-3-fluoroanilino]pyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 89473987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).