1-cyclopropyl-3-[2-fluoro-4-[(6-pyridin-2-yl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)oxy]phenyl]propan-2-one

C23H19FN4O2 — CID 58272433

About 1-cyclopropyl-3-[2-fluoro-4-[(6-pyridin-2-yl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)oxy]phenyl]propan-2-one

1-cyclopropyl-3-[2-fluoro-4-[(6-pyridin-2-yl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)oxy]phenyl]propan-2-one (PubChem CID 58272433) has the molecular formula C23H19FN4O2 and a molecular weight of 402.43 g/mol. Its IUPAC name is 1-cyclopropyl-3-[2-fluoro-4-[(6-pyridin-2-yl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)oxy]phenyl]propan-2-one.

Molecular Properties

• Compound Name: 1-cyclopropyl-3-[2-fluoro-4-[(6-pyridin-2-yl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)oxy]phenyl]propan-2-one
• PubChem CID: 58272433
• Molecular Formula: C23H19FN4O2
• Molecular Weight: 402.43 g/mol
• Exact Mass: 402.15
• IUPAC Name: 1-cyclopropyl-3-[2-fluoro-4-[(6-pyridin-2-yl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)oxy]phenyl]propan-2-one
• SMILES: O=C(Cc1ccc(Oc2ncnc3[nH]c(-c4ccccn4)cc23)cc1F)CC1CC1
• InChI: InChI=1S/C23H19FN4O2/c24-19-11-17(7-6-15(19)10-16(29)9-14-4-5-14)30-23-18-12-21(20-3-1-2-8-25-20)28-22(18)26-13-27-23/h1-3,6-8,11-14H,4-5,9-10H2,(H,26,27,28)
• InChIKey: BQJIXAHFEPRPKH-UHFFFAOYSA-N
• XLogP: 4.86
• TPSA: 80.76 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	402.43
LogP ≤ 5	4.86
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-3-[2-fluoro-4-[(6-pyridin-2-yl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)oxy]phenyl]propan-2-one?

The IUPAC name of 1-cyclopropyl-3-[2-fluoro-4-[(6-pyridin-2-yl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)oxy]phenyl]propan-2-one (CID 58272433) is 1-cyclopropyl-3-[2-fluoro-4-[(6-pyridin-2-yl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)oxy]phenyl]propan-2-one.

What is the SMILES notation for 1-cyclopropyl-3-[2-fluoro-4-[(6-pyridin-2-yl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)oxy]phenyl]propan-2-one?

The canonical SMILES for 1-cyclopropyl-3-[2-fluoro-4-[(6-pyridin-2-yl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)oxy]phenyl]propan-2-one is O=C(Cc1ccc(Oc2ncnc3[nH]c(-c4ccccn4)cc23)cc1F)CC1CC1.

What is the InChIKey of 1-cyclopropyl-3-[2-fluoro-4-[(6-pyridin-2-yl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)oxy]phenyl]propan-2-one?

The InChIKey is BQJIXAHFEPRPKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19FN4O2/c24-19-11-17(7-6-15(19)10-16(29)9-14-4-5-14)30-23-18-12-21(20-3-1-2-8-25-20)28-22(18)26-13-27-23/h1-3,6-8,11-14H,4-5,9-10H2,(H,26,27,28).

What are the key properties of 1-cyclopropyl-3-[2-fluoro-4-[(6-pyridin-2-yl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)oxy]phenyl]propan-2-one?

1-cyclopropyl-3-[2-fluoro-4-[(6-pyridin-2-yl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)oxy]phenyl]propan-2-one has a molecular weight of 402.43 g/mol, XLogP of 4.86, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-cyclopropyl-3-[2-fluoro-4-[(6-pyridin-2-yl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)oxy]phenyl]propan-2-one is sourced from PubChem (CID 58272433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).