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

C25H26FN5O2 — CID 110240224

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

[2-[4-(3-fluoroanilino)-6-pyridin-4-ylpyrimidin-2-yl]pyrrolidin-1-yl]-(oxan-2-yl)methanone (PubChem CID 110240224) has the molecular formula C25H26FN5O2 and a molecular weight of 447.51 g/mol. Its IUPAC name is [2-[4-(3-fluoroanilino)-6-pyridin-4-ylpyrimidin-2-yl]pyrrolidin-1-yl]-(oxan-2-yl)methanone.

Molecular Properties

• Compound Name: [2-[4-(3-fluoroanilino)-6-pyridin-4-ylpyrimidin-2-yl]pyrrolidin-1-yl]-(oxan-2-yl)methanone
• PubChem CID: 110240224
• Molecular Formula: C25H26FN5O2
• Molecular Weight: 447.51 g/mol
• Exact Mass: 447.21
• IUPAC Name: [2-[4-(3-fluoroanilino)-6-pyridin-4-ylpyrimidin-2-yl]pyrrolidin-1-yl]-(oxan-2-yl)methanone
• SMILES: O=C(C1CCCCO1)N1CCCC1c1nc(Nc2cccc(F)c2)cc(-c2ccncc2)n1
• InChI: InChI=1S/C25H26FN5O2/c26-18-5-3-6-19(15-18)28-23-16-20(17-9-11-27-12-10-17)29-24(30-23)21-7-4-13-31(21)25(32)22-8-1-2-14-33-22/h3,5-6,9-12,15-16,21-22H,1-2,4,7-8,13-14H2,(H,28,29,30)
• InChIKey: IEODSPFPPANROJ-UHFFFAOYSA-N
• XLogP: 4.65
• TPSA: 80.24 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	447.51
LogP ≤ 5	4.65
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of [2-[4-(3-fluoroanilino)-6-pyridin-4-ylpyrimidin-2-yl]pyrrolidin-1-yl]-(oxan-2-yl)methanone (CID 110240224) is [2-[4-(3-fluoroanilino)-6-pyridin-4-ylpyrimidin-2-yl]pyrrolidin-1-yl]-(oxan-2-yl)methanone.

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

The canonical SMILES for [2-[4-(3-fluoroanilino)-6-pyridin-4-ylpyrimidin-2-yl]pyrrolidin-1-yl]-(oxan-2-yl)methanone is O=C(C1CCCCO1)N1CCCC1c1nc(Nc2cccc(F)c2)cc(-c2ccncc2)n1.

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

The InChIKey is IEODSPFPPANROJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26FN5O2/c26-18-5-3-6-19(15-18)28-23-16-20(17-9-11-27-12-10-17)29-24(30-23)21-7-4-13-31(21)25(32)22-8-1-2-14-33-22/h3,5-6,9-12,15-16,21-22H,1-2,4,7-8,13-14H2,(H,28,29,30).

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

[2-[4-(3-fluoroanilino)-6-pyridin-4-ylpyrimidin-2-yl]pyrrolidin-1-yl]-(oxan-2-yl)methanone has a molecular weight of 447.51 g/mol, XLogP of 4.65, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for [2-[4-(3-fluoroanilino)-6-pyridin-4-ylpyrimidin-2-yl]pyrrolidin-1-yl]-(oxan-2-yl)methanone is sourced from PubChem (CID 110240224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).