5-(4-chloro-2-fluorophenyl)-7-[(2R,4R)-2-(1-cyclopropylpyrazol-4-yl)oxan-4-yl]-2,3-dimethylpyrido[2,3-d]pyrimidin-4-one

C26H25ClFN5O2 — CID 170182288

About 5-(4-chloro-2-fluorophenyl)-7-[(2R,4R)-2-(1-cyclopropylpyrazol-4-yl)oxan-4-yl]-2,3-dimethylpyrido[2,3-d]pyrimidin-4-one

5-(4-chloro-2-fluorophenyl)-7-[(2R,4R)-2-(1-cyclopropylpyrazol-4-yl)oxan-4-yl]-2,3-dimethylpyrido[2,3-d]pyrimidin-4-one (PubChem CID 170182288) has the molecular formula C26H25ClFN5O2 and a molecular weight of 493.97 g/mol. Its IUPAC name is 5-(4-chloro-2-fluorophenyl)-7-[(2R,4R)-2-(1-cyclopropylpyrazol-4-yl)oxan-4-yl]-2,3-dimethylpyrido[2,3-d]pyrimidin-4-one.

Molecular Properties

• Compound Name: 5-(4-chloro-2-fluorophenyl)-7-[(2R,4R)-2-(1-cyclopropylpyrazol-4-yl)oxan-4-yl]-2,3-dimethylpyrido[2,3-d]pyrimidin-4-one
• PubChem CID: 170182288
• Molecular Formula: C26H25ClFN5O2
• Molecular Weight: 493.97 g/mol
• Exact Mass: 493.17
• IUPAC Name: 5-(4-chloro-2-fluorophenyl)-7-[(2R,4R)-2-(1-cyclopropylpyrazol-4-yl)oxan-4-yl]-2,3-dimethylpyrido[2,3-d]pyrimidin-4-one
• SMILES: Cc1nc2nc([C@@H]3CCO[C@@H](c4cnn(C5CC5)c4)C3)cc(-c3ccc(Cl)cc3F)c2c(=O)n1C
• InChI: InChI=1S/C26H25ClFN5O2/c1-14-30-25-24(26(34)32(14)2)20(19-6-3-17(27)10-21(19)28)11-22(31-25)15-7-8-35-23(9-15)16-12-29-33(13-16)18-4-5-18/h3,6,10-13,15,18,23H,4-5,7-9H2,1-2H3/t15-,23-/m1/s1
• InChIKey: FFJOQVIKRHKBDH-IQMFZBJNSA-N
• XLogP: 5.26
• TPSA: 74.83 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	493.97
LogP ≤ 5	5.26
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 5-(4-chloro-2-fluorophenyl)-7-[(2R,4R)-2-(1-cyclopropylpyrazol-4-yl)oxan-4-yl]-2,3-dimethylpyrido[2,3-d]pyrimidin-4-one?

The IUPAC name of 5-(4-chloro-2-fluorophenyl)-7-[(2R,4R)-2-(1-cyclopropylpyrazol-4-yl)oxan-4-yl]-2,3-dimethylpyrido[2,3-d]pyrimidin-4-one (CID 170182288) is 5-(4-chloro-2-fluorophenyl)-7-[(2R,4R)-2-(1-cyclopropylpyrazol-4-yl)oxan-4-yl]-2,3-dimethylpyrido[2,3-d]pyrimidin-4-one.

What is the SMILES notation for 5-(4-chloro-2-fluorophenyl)-7-[(2R,4R)-2-(1-cyclopropylpyrazol-4-yl)oxan-4-yl]-2,3-dimethylpyrido[2,3-d]pyrimidin-4-one?

The canonical SMILES for 5-(4-chloro-2-fluorophenyl)-7-[(2R,4R)-2-(1-cyclopropylpyrazol-4-yl)oxan-4-yl]-2,3-dimethylpyrido[2,3-d]pyrimidin-4-one is Cc1nc2nc([C@@H]3CCO[C@@H](c4cnn(C5CC5)c4)C3)cc(-c3ccc(Cl)cc3F)c2c(=O)n1C.

What is the InChIKey of 5-(4-chloro-2-fluorophenyl)-7-[(2R,4R)-2-(1-cyclopropylpyrazol-4-yl)oxan-4-yl]-2,3-dimethylpyrido[2,3-d]pyrimidin-4-one?

The InChIKey is FFJOQVIKRHKBDH-IQMFZBJNSA-N. The full InChI is InChI=1S/C26H25ClFN5O2/c1-14-30-25-24(26(34)32(14)2)20(19-6-3-17(27)10-21(19)28)11-22(31-25)15-7-8-35-23(9-15)16-12-29-33(13-16)18-4-5-18/h3,6,10-13,15,18,23H,4-5,7-9H2,1-2H3/t15-,23-/m1/s1.

What are the key properties of 5-(4-chloro-2-fluorophenyl)-7-[(2R,4R)-2-(1-cyclopropylpyrazol-4-yl)oxan-4-yl]-2,3-dimethylpyrido[2,3-d]pyrimidin-4-one?

5-(4-chloro-2-fluorophenyl)-7-[(2R,4R)-2-(1-cyclopropylpyrazol-4-yl)oxan-4-yl]-2,3-dimethylpyrido[2,3-d]pyrimidin-4-one has a molecular weight of 493.97 g/mol, XLogP of 5.26, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(4-chloro-2-fluorophenyl)-7-[(2R,4R)-2-(1-cyclopropylpyrazol-4-yl)oxan-4-yl]-2,3-dimethylpyrido[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 170182288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).