(5-fluoro-3-methyl-1-benzofuran-2-yl)-[(2S)-2-[5-(pyridin-2-ylamino)-2-pyridinyl]morpholin-4-yl]methanone

C24H21FN4O3 — CID 124967067

About (5-fluoro-3-methyl-1-benzofuran-2-yl)-[(2S)-2-[5-(pyridin-2-ylamino)-2-pyridinyl]morpholin-4-yl]methanone

(5-fluoro-3-methyl-1-benzofuran-2-yl)-[(2S)-2-[5-(pyridin-2-ylamino)-2-pyridinyl]morpholin-4-yl]methanone (PubChem CID 124967067) has the molecular formula C24H21FN4O3 and a molecular weight of 432.46 g/mol. Its IUPAC name is (5-fluoro-3-methyl-1-benzofuran-2-yl)-[(2S)-2-[5-(pyridin-2-ylamino)-2-pyridinyl]morpholin-4-yl]methanone.

Molecular Properties

• Compound Name: (5-fluoro-3-methyl-1-benzofuran-2-yl)-[(2S)-2-[5-(pyridin-2-ylamino)-2-pyridinyl]morpholin-4-yl]methanone
• PubChem CID: 124967067
• Molecular Formula: C24H21FN4O3
• Molecular Weight: 432.46 g/mol
• Exact Mass: 432.16
• IUPAC Name: (5-fluoro-3-methyl-1-benzofuran-2-yl)-[(2S)-2-[5-(pyridin-2-ylamino)-2-pyridinyl]morpholin-4-yl]methanone
• SMILES: Cc1c(C(=O)N2CCO[C@H](c3ccc(Nc4ccccn4)cn3)C2)oc2ccc(F)cc12
• InChI: InChI=1S/C24H21FN4O3/c1-15-18-12-16(25)5-8-20(18)32-23(15)24(30)29-10-11-31-21(14-29)19-7-6-17(13-27-19)28-22-4-2-3-9-26-22/h2-9,12-13,21H,10-11,14H2,1H3,(H,26,28)/t21-/m0/s1
• InChIKey: IQGOFLOEPNWCSS-NRFANRHFSA-N
• XLogP: 4.63
• TPSA: 80.49 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	432.46
LogP ≤ 5	4.63
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of (5-fluoro-3-methyl-1-benzofuran-2-yl)-[(2S)-2-[5-(pyridin-2-ylamino)-2-pyridinyl]morpholin-4-yl]methanone?

The IUPAC name of (5-fluoro-3-methyl-1-benzofuran-2-yl)-[(2S)-2-[5-(pyridin-2-ylamino)-2-pyridinyl]morpholin-4-yl]methanone (CID 124967067) is (5-fluoro-3-methyl-1-benzofuran-2-yl)-[(2S)-2-[5-(pyridin-2-ylamino)-2-pyridinyl]morpholin-4-yl]methanone.

What is the SMILES notation for (5-fluoro-3-methyl-1-benzofuran-2-yl)-[(2S)-2-[5-(pyridin-2-ylamino)-2-pyridinyl]morpholin-4-yl]methanone?

The canonical SMILES for (5-fluoro-3-methyl-1-benzofuran-2-yl)-[(2S)-2-[5-(pyridin-2-ylamino)-2-pyridinyl]morpholin-4-yl]methanone is Cc1c(C(=O)N2CCO[C@H](c3ccc(Nc4ccccn4)cn3)C2)oc2ccc(F)cc12.

What is the InChIKey of (5-fluoro-3-methyl-1-benzofuran-2-yl)-[(2S)-2-[5-(pyridin-2-ylamino)-2-pyridinyl]morpholin-4-yl]methanone?

The InChIKey is IQGOFLOEPNWCSS-NRFANRHFSA-N. The full InChI is InChI=1S/C24H21FN4O3/c1-15-18-12-16(25)5-8-20(18)32-23(15)24(30)29-10-11-31-21(14-29)19-7-6-17(13-27-19)28-22-4-2-3-9-26-22/h2-9,12-13,21H,10-11,14H2,1H3,(H,26,28)/t21-/m0/s1.

What are the key properties of (5-fluoro-3-methyl-1-benzofuran-2-yl)-[(2S)-2-[5-(pyridin-2-ylamino)-2-pyridinyl]morpholin-4-yl]methanone?

(5-fluoro-3-methyl-1-benzofuran-2-yl)-[(2S)-2-[5-(pyridin-2-ylamino)-2-pyridinyl]morpholin-4-yl]methanone has a molecular weight of 432.46 g/mol, XLogP of 4.63, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (5-fluoro-3-methyl-1-benzofuran-2-yl)-[(2S)-2-[5-(pyridin-2-ylamino)-2-pyridinyl]morpholin-4-yl]methanone is sourced from PubChem (CID 124967067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).