2-methoxy-5-morpholin-4-yl-N-[5-[4-[(4-propan-2-ylpiperazin-1-yl)methyl]phenyl]-3-pyridinyl]pyridine-3-sulfonamide

C29H38N6O4S — CID 137442750

About 2-methoxy-5-morpholin-4-yl-N-[5-[4-[(4-propan-2-ylpiperazin-1-yl)methyl]phenyl]-3-pyridinyl]pyridine-3-sulfonamide

2-methoxy-5-morpholin-4-yl-N-[5-[4-[(4-propan-2-ylpiperazin-1-yl)methyl]phenyl]-3-pyridinyl]pyridine-3-sulfonamide (PubChem CID 137442750) has the molecular formula C29H38N6O4S and a molecular weight of 566.73 g/mol. Its IUPAC name is 2-methoxy-5-morpholin-4-yl-N-[5-[4-[(4-propan-2-ylpiperazin-1-yl)methyl]phenyl]-3-pyridinyl]pyridine-3-sulfonamide.

Molecular Properties

• Compound Name: 2-methoxy-5-morpholin-4-yl-N-[5-[4-[(4-propan-2-ylpiperazin-1-yl)methyl]phenyl]-3-pyridinyl]pyridine-3-sulfonamide
• PubChem CID: 137442750
• Molecular Formula: C29H38N6O4S
• Molecular Weight: 566.73 g/mol
• Exact Mass: 566.27
• IUPAC Name: 2-methoxy-5-morpholin-4-yl-N-[5-[4-[(4-propan-2-ylpiperazin-1-yl)methyl]phenyl]-3-pyridinyl]pyridine-3-sulfonamide
• SMILES: COc1ncc(N2CCOCC2)cc1S(=O)(=O)Nc1cncc(-c2ccc(CN3CCN(C(C)C)CC3)cc2)c1
• InChI: InChI=1S/C29H38N6O4S/c1-22(2)34-10-8-33(9-11-34)21-23-4-6-24(7-5-23)25-16-26(19-30-18-25)32-40(36,37)28-17-27(20-31-29(28)38-3)35-12-14-39-15-13-35/h4-7,16-20,22,32H,8-15,21H2,1-3H3
• InChIKey: BPHJDOCHBUUJJH-UHFFFAOYSA-N
• XLogP: 3.32
• TPSA: 100.13 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 9
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	566.73
LogP ≤ 5	3.32
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-5-morpholin-4-yl-N-[5-[4-[(4-propan-2-ylpiperazin-1-yl)methyl]phenyl]-3-pyridinyl]pyridine-3-sulfonamide?

The IUPAC name of 2-methoxy-5-morpholin-4-yl-N-[5-[4-[(4-propan-2-ylpiperazin-1-yl)methyl]phenyl]-3-pyridinyl]pyridine-3-sulfonamide (CID 137442750) is 2-methoxy-5-morpholin-4-yl-N-[5-[4-[(4-propan-2-ylpiperazin-1-yl)methyl]phenyl]-3-pyridinyl]pyridine-3-sulfonamide.

What is the SMILES notation for 2-methoxy-5-morpholin-4-yl-N-[5-[4-[(4-propan-2-ylpiperazin-1-yl)methyl]phenyl]-3-pyridinyl]pyridine-3-sulfonamide?

The canonical SMILES for 2-methoxy-5-morpholin-4-yl-N-[5-[4-[(4-propan-2-ylpiperazin-1-yl)methyl]phenyl]-3-pyridinyl]pyridine-3-sulfonamide is COc1ncc(N2CCOCC2)cc1S(=O)(=O)Nc1cncc(-c2ccc(CN3CCN(C(C)C)CC3)cc2)c1.

What is the InChIKey of 2-methoxy-5-morpholin-4-yl-N-[5-[4-[(4-propan-2-ylpiperazin-1-yl)methyl]phenyl]-3-pyridinyl]pyridine-3-sulfonamide?

The InChIKey is BPHJDOCHBUUJJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H38N6O4S/c1-22(2)34-10-8-33(9-11-34)21-23-4-6-24(7-5-23)25-16-26(19-30-18-25)32-40(36,37)28-17-27(20-31-29(28)38-3)35-12-14-39-15-13-35/h4-7,16-20,22,32H,8-15,21H2,1-3H3.

What are the key properties of 2-methoxy-5-morpholin-4-yl-N-[5-[4-[(4-propan-2-ylpiperazin-1-yl)methyl]phenyl]-3-pyridinyl]pyridine-3-sulfonamide?

2-methoxy-5-morpholin-4-yl-N-[5-[4-[(4-propan-2-ylpiperazin-1-yl)methyl]phenyl]-3-pyridinyl]pyridine-3-sulfonamide has a molecular weight of 566.73 g/mol, XLogP of 3.32, 9 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 2-methoxy-5-morpholin-4-yl-N-[5-[4-[(4-propan-2-ylpiperazin-1-yl)methyl]phenyl]-3-pyridinyl]pyridine-3-sulfonamide is sourced from PubChem (CID 137442750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).