[(3R)-3-methylmorpholin-4-yl]-[3-[2-(6-methylsulfonyl-3-pyridinyl)furo[3,2-b]pyridin-7-yl]phenyl]methanone

C25H23N3O5S — CID 170785322

About [(3R)-3-methylmorpholin-4-yl]-[3-[2-(6-methylsulfonyl-3-pyridinyl)furo[3,2-b]pyridin-7-yl]phenyl]methanone

[(3R)-3-methylmorpholin-4-yl]-[3-[2-(6-methylsulfonyl-3-pyridinyl)furo[3,2-b]pyridin-7-yl]phenyl]methanone (PubChem CID 170785322) has the molecular formula C25H23N3O5S and a molecular weight of 477.54 g/mol. Its IUPAC name is [(3R)-3-methylmorpholin-4-yl]-[3-[2-(6-methylsulfonyl-3-pyridinyl)furo[3,2-b]pyridin-7-yl]phenyl]methanone.

Molecular Properties

• Compound Name: [(3R)-3-methylmorpholin-4-yl]-[3-[2-(6-methylsulfonyl-3-pyridinyl)furo[3,2-b]pyridin-7-yl]phenyl]methanone
• PubChem CID: 170785322
• Molecular Formula: C25H23N3O5S
• Molecular Weight: 477.54 g/mol
• Exact Mass: 477.14
• IUPAC Name: [(3R)-3-methylmorpholin-4-yl]-[3-[2-(6-methylsulfonyl-3-pyridinyl)furo[3,2-b]pyridin-7-yl]phenyl]methanone
• SMILES: C[C@@H]1COCCN1C(=O)c1cccc(-c2ccnc3cc(-c4ccc(S(C)(=O)=O)nc4)oc23)c1
• InChI: InChI=1S/C25H23N3O5S/c1-16-15-32-11-10-28(16)25(29)18-5-3-4-17(12-18)20-8-9-26-21-13-22(33-24(20)21)19-6-7-23(27-14-19)34(2,30)31/h3-9,12-14,16H,10-11,15H2,1-2H3/t16-/m1/s1
• InChIKey: BQEKZXKSAYCHOK-MRXNPFEDSA-N
• XLogP: 3.82
• TPSA: 102.60 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	477.54
LogP ≤ 5	3.82
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of [(3R)-3-methylmorpholin-4-yl]-[3-[2-(6-methylsulfonyl-3-pyridinyl)furo[3,2-b]pyridin-7-yl]phenyl]methanone?

The IUPAC name of [(3R)-3-methylmorpholin-4-yl]-[3-[2-(6-methylsulfonyl-3-pyridinyl)furo[3,2-b]pyridin-7-yl]phenyl]methanone (CID 170785322) is [(3R)-3-methylmorpholin-4-yl]-[3-[2-(6-methylsulfonyl-3-pyridinyl)furo[3,2-b]pyridin-7-yl]phenyl]methanone.

What is the SMILES notation for [(3R)-3-methylmorpholin-4-yl]-[3-[2-(6-methylsulfonyl-3-pyridinyl)furo[3,2-b]pyridin-7-yl]phenyl]methanone?

The canonical SMILES for [(3R)-3-methylmorpholin-4-yl]-[3-[2-(6-methylsulfonyl-3-pyridinyl)furo[3,2-b]pyridin-7-yl]phenyl]methanone is C[C@@H]1COCCN1C(=O)c1cccc(-c2ccnc3cc(-c4ccc(S(C)(=O)=O)nc4)oc23)c1.

What is the InChIKey of [(3R)-3-methylmorpholin-4-yl]-[3-[2-(6-methylsulfonyl-3-pyridinyl)furo[3,2-b]pyridin-7-yl]phenyl]methanone?

The InChIKey is BQEKZXKSAYCHOK-MRXNPFEDSA-N. The full InChI is InChI=1S/C25H23N3O5S/c1-16-15-32-11-10-28(16)25(29)18-5-3-4-17(12-18)20-8-9-26-21-13-22(33-24(20)21)19-6-7-23(27-14-19)34(2,30)31/h3-9,12-14,16H,10-11,15H2,1-2H3/t16-/m1/s1.

What are the key properties of [(3R)-3-methylmorpholin-4-yl]-[3-[2-(6-methylsulfonyl-3-pyridinyl)furo[3,2-b]pyridin-7-yl]phenyl]methanone?

[(3R)-3-methylmorpholin-4-yl]-[3-[2-(6-methylsulfonyl-3-pyridinyl)furo[3,2-b]pyridin-7-yl]phenyl]methanone has a molecular weight of 477.54 g/mol, XLogP of 3.82, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for [(3R)-3-methylmorpholin-4-yl]-[3-[2-(6-methylsulfonyl-3-pyridinyl)furo[3,2-b]pyridin-7-yl]phenyl]methanone is sourced from PubChem (CID 170785322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).