[(2S)-2-[4-(3-fluoroanilino)-6-pyridin-4-ylpyrimidin-2-yl]pyrrolidin-1-yl]-[(2R)-oxolan-2-yl]methanone

C24H24FN5O2 — CID 92568816

About [(2S)-2-[4-(3-fluoroanilino)-6-pyridin-4-ylpyrimidin-2-yl]pyrrolidin-1-yl]-[(2R)-oxolan-2-yl]methanone

[(2S)-2-[4-(3-fluoroanilino)-6-pyridin-4-ylpyrimidin-2-yl]pyrrolidin-1-yl]-[(2R)-oxolan-2-yl]methanone (PubChem CID 92568816) has the molecular formula C24H24FN5O2 and a molecular weight of 433.49 g/mol. Its IUPAC name is [(2S)-2-[4-(3-fluoroanilino)-6-pyridin-4-ylpyrimidin-2-yl]pyrrolidin-1-yl]-[(2R)-oxolan-2-yl]methanone.

Molecular Properties

• Compound Name: [(2S)-2-[4-(3-fluoroanilino)-6-pyridin-4-ylpyrimidin-2-yl]pyrrolidin-1-yl]-[(2R)-oxolan-2-yl]methanone
• PubChem CID: 92568816
• Molecular Formula: C24H24FN5O2
• Molecular Weight: 433.49 g/mol
• Exact Mass: 433.19
• IUPAC Name: [(2S)-2-[4-(3-fluoroanilino)-6-pyridin-4-ylpyrimidin-2-yl]pyrrolidin-1-yl]-[(2R)-oxolan-2-yl]methanone
• SMILES: O=C([C@H]1CCCO1)N1CCC[C@H]1c1nc(Nc2cccc(F)c2)cc(-c2ccncc2)n1
• InChI: InChI=1S/C24H24FN5O2/c25-17-4-1-5-18(14-17)27-22-15-19(16-8-10-26-11-9-16)28-23(29-22)20-6-2-12-30(20)24(31)21-7-3-13-32-21/h1,4-5,8-11,14-15,20-21H,2-3,6-7,12-13H2,(H,27,28,29)/t20-,21+/m0/s1
• InChIKey: QSRPKQWXOXOJTG-LEWJYISDSA-N
• XLogP: 4.26
• TPSA: 80.24 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	433.49
LogP ≤ 5	4.26
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of [(2S)-2-[4-(3-fluoroanilino)-6-pyridin-4-ylpyrimidin-2-yl]pyrrolidin-1-yl]-[(2R)-oxolan-2-yl]methanone?

The IUPAC name of [(2S)-2-[4-(3-fluoroanilino)-6-pyridin-4-ylpyrimidin-2-yl]pyrrolidin-1-yl]-[(2R)-oxolan-2-yl]methanone (CID 92568816) is [(2S)-2-[4-(3-fluoroanilino)-6-pyridin-4-ylpyrimidin-2-yl]pyrrolidin-1-yl]-[(2R)-oxolan-2-yl]methanone.

What is the SMILES notation for [(2S)-2-[4-(3-fluoroanilino)-6-pyridin-4-ylpyrimidin-2-yl]pyrrolidin-1-yl]-[(2R)-oxolan-2-yl]methanone?

The canonical SMILES for [(2S)-2-[4-(3-fluoroanilino)-6-pyridin-4-ylpyrimidin-2-yl]pyrrolidin-1-yl]-[(2R)-oxolan-2-yl]methanone is O=C([C@H]1CCCO1)N1CCC[C@H]1c1nc(Nc2cccc(F)c2)cc(-c2ccncc2)n1.

What is the InChIKey of [(2S)-2-[4-(3-fluoroanilino)-6-pyridin-4-ylpyrimidin-2-yl]pyrrolidin-1-yl]-[(2R)-oxolan-2-yl]methanone?

The InChIKey is QSRPKQWXOXOJTG-LEWJYISDSA-N. The full InChI is InChI=1S/C24H24FN5O2/c25-17-4-1-5-18(14-17)27-22-15-19(16-8-10-26-11-9-16)28-23(29-22)20-6-2-12-30(20)24(31)21-7-3-13-32-21/h1,4-5,8-11,14-15,20-21H,2-3,6-7,12-13H2,(H,27,28,29)/t20-,21+/m0/s1.

What are the key properties of [(2S)-2-[4-(3-fluoroanilino)-6-pyridin-4-ylpyrimidin-2-yl]pyrrolidin-1-yl]-[(2R)-oxolan-2-yl]methanone?

[(2S)-2-[4-(3-fluoroanilino)-6-pyridin-4-ylpyrimidin-2-yl]pyrrolidin-1-yl]-[(2R)-oxolan-2-yl]methanone has a molecular weight of 433.49 g/mol, XLogP of 4.26, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for [(2S)-2-[4-(3-fluoroanilino)-6-pyridin-4-ylpyrimidin-2-yl]pyrrolidin-1-yl]-[(2R)-oxolan-2-yl]methanone is sourced from PubChem (CID 92568816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).