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

C35H36ClFN6O — CID 89473924

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

6-[2-chloro-4-(2-fluoro-6-methyl-3-pyridinyl)phenyl]-8-ethyl-2-[4-(1-propan-2-ylpiperidin-4-yl)anilino]pyrido[2,3-d]pyrimidin-7-one (PubChem CID 89473924) has the molecular formula C35H36ClFN6O and a molecular weight of 611.17 g/mol. Its IUPAC name is 6-[2-chloro-4-(2-fluoro-6-methyl-3-pyridinyl)phenyl]-8-ethyl-2-[4-(1-propan-2-ylpiperidin-4-yl)anilino]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-propan-2-ylpiperidin-4-yl)anilino]pyrido[2,3-d]pyrimidin-7-one
• PubChem CID: 89473924
• Molecular Formula: C35H36ClFN6O
• Molecular Weight: 611.17 g/mol
• Exact Mass: 610.26
• IUPAC Name: 6-[2-chloro-4-(2-fluoro-6-methyl-3-pyridinyl)phenyl]-8-ethyl-2-[4-(1-propan-2-ylpiperidin-4-yl)anilino]pyrido[2,3-d]pyrimidin-7-one
• SMILES: CCn1c(=O)c(-c2ccc(-c3ccc(C)nc3F)cc2Cl)cc2cnc(Nc3ccc(C4CCN(C(C)C)CC4)cc3)nc21
• InChI: InChI=1S/C35H36ClFN6O/c1-5-43-33-26(18-30(34(43)44)29-13-9-25(19-31(29)36)28-12-6-22(4)39-32(28)37)20-38-35(41-33)40-27-10-7-23(8-11-27)24-14-16-42(17-15-24)21(2)3/h6-13,18-21,24H,5,14-17H2,1-4H3,(H,38,40,41)
• InChIKey: YLCZNHIDVHZHJO-UHFFFAOYSA-N
• XLogP: 7.97
• 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	611.17
LogP ≤ 5	7.97
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-propan-2-ylpiperidin-4-yl)anilino]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-propan-2-ylpiperidin-4-yl)anilino]pyrido[2,3-d]pyrimidin-7-one (CID 89473924) is 6-[2-chloro-4-(2-fluoro-6-methyl-3-pyridinyl)phenyl]-8-ethyl-2-[4-(1-propan-2-ylpiperidin-4-yl)anilino]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-propan-2-ylpiperidin-4-yl)anilino]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-propan-2-ylpiperidin-4-yl)anilino]pyrido[2,3-d]pyrimidin-7-one is CCn1c(=O)c(-c2ccc(-c3ccc(C)nc3F)cc2Cl)cc2cnc(Nc3ccc(C4CCN(C(C)C)CC4)cc3)nc21.

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

The InChIKey is YLCZNHIDVHZHJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H36ClFN6O/c1-5-43-33-26(18-30(34(43)44)29-13-9-25(19-31(29)36)28-12-6-22(4)39-32(28)37)20-38-35(41-33)40-27-10-7-23(8-11-27)24-14-16-42(17-15-24)21(2)3/h6-13,18-21,24H,5,14-17H2,1-4H3,(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-propan-2-ylpiperidin-4-yl)anilino]pyrido[2,3-d]pyrimidin-7-one?

6-[2-chloro-4-(2-fluoro-6-methyl-3-pyridinyl)phenyl]-8-ethyl-2-[4-(1-propan-2-ylpiperidin-4-yl)anilino]pyrido[2,3-d]pyrimidin-7-one has a molecular weight of 611.17 g/mol, XLogP of 7.97, 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-propan-2-ylpiperidin-4-yl)anilino]pyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 89473924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).