5-(3,6-dihydro-2H-pyran-4-yl)-2-methoxy-N-[5-[6-[(4-propan-2-ylpiperazin-1-yl)methyl]-3-pyridinyl]-3-pyridinyl]pyridine-3-sulfonamide

C29H36N6O4S — CID 164620413

About 5-(3,6-dihydro-2H-pyran-4-yl)-2-methoxy-N-[5-[6-[(4-propan-2-ylpiperazin-1-yl)methyl]-3-pyridinyl]-3-pyridinyl]pyridine-3-sulfonamide

5-(3,6-dihydro-2H-pyran-4-yl)-2-methoxy-N-[5-[6-[(4-propan-2-ylpiperazin-1-yl)methyl]-3-pyridinyl]-3-pyridinyl]pyridine-3-sulfonamide (PubChem CID 164620413) has the molecular formula C29H36N6O4S and a molecular weight of 564.71 g/mol. Its IUPAC name is 5-(3,6-dihydro-2H-pyran-4-yl)-2-methoxy-N-[5-[6-[(4-propan-2-ylpiperazin-1-yl)methyl]-3-pyridinyl]-3-pyridinyl]pyridine-3-sulfonamide.

Molecular Properties

• Compound Name: 5-(3,6-dihydro-2H-pyran-4-yl)-2-methoxy-N-[5-[6-[(4-propan-2-ylpiperazin-1-yl)methyl]-3-pyridinyl]-3-pyridinyl]pyridine-3-sulfonamide
• PubChem CID: 164620413
• Molecular Formula: C29H36N6O4S
• Molecular Weight: 564.71 g/mol
• Exact Mass: 564.25
• IUPAC Name: 5-(3,6-dihydro-2H-pyran-4-yl)-2-methoxy-N-[5-[6-[(4-propan-2-ylpiperazin-1-yl)methyl]-3-pyridinyl]-3-pyridinyl]pyridine-3-sulfonamide
• SMILES: COc1ncc(C2=CCOCC2)cc1S(=O)(=O)Nc1cncc(-c2ccc(CN3CCN(C(C)C)CC3)nc2)c1
• InChI: InChI=1S/C29H36N6O4S/c1-21(2)35-10-8-34(9-11-35)20-26-5-4-23(17-31-26)24-14-27(19-30-16-24)33-40(36,37)28-15-25(18-32-29(28)38-3)22-6-12-39-13-7-22/h4-6,14-19,21,33H,7-13,20H2,1-3H3
• InChIKey: CLFPTIZZKYEKLN-UHFFFAOYSA-N
• XLogP: 3.68
• TPSA: 109.78 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	564.71
LogP ≤ 5	3.68
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 5-(3,6-dihydro-2H-pyran-4-yl)-2-methoxy-N-[5-[6-[(4-propan-2-ylpiperazin-1-yl)methyl]-3-pyridinyl]-3-pyridinyl]pyridine-3-sulfonamide?

The IUPAC name of 5-(3,6-dihydro-2H-pyran-4-yl)-2-methoxy-N-[5-[6-[(4-propan-2-ylpiperazin-1-yl)methyl]-3-pyridinyl]-3-pyridinyl]pyridine-3-sulfonamide (CID 164620413) is 5-(3,6-dihydro-2H-pyran-4-yl)-2-methoxy-N-[5-[6-[(4-propan-2-ylpiperazin-1-yl)methyl]-3-pyridinyl]-3-pyridinyl]pyridine-3-sulfonamide.

What is the SMILES notation for 5-(3,6-dihydro-2H-pyran-4-yl)-2-methoxy-N-[5-[6-[(4-propan-2-ylpiperazin-1-yl)methyl]-3-pyridinyl]-3-pyridinyl]pyridine-3-sulfonamide?

The canonical SMILES for 5-(3,6-dihydro-2H-pyran-4-yl)-2-methoxy-N-[5-[6-[(4-propan-2-ylpiperazin-1-yl)methyl]-3-pyridinyl]-3-pyridinyl]pyridine-3-sulfonamide is COc1ncc(C2=CCOCC2)cc1S(=O)(=O)Nc1cncc(-c2ccc(CN3CCN(C(C)C)CC3)nc2)c1.

What is the InChIKey of 5-(3,6-dihydro-2H-pyran-4-yl)-2-methoxy-N-[5-[6-[(4-propan-2-ylpiperazin-1-yl)methyl]-3-pyridinyl]-3-pyridinyl]pyridine-3-sulfonamide?

The InChIKey is CLFPTIZZKYEKLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H36N6O4S/c1-21(2)35-10-8-34(9-11-35)20-26-5-4-23(17-31-26)24-14-27(19-30-16-24)33-40(36,37)28-15-25(18-32-29(28)38-3)22-6-12-39-13-7-22/h4-6,14-19,21,33H,7-13,20H2,1-3H3.

What are the key properties of 5-(3,6-dihydro-2H-pyran-4-yl)-2-methoxy-N-[5-[6-[(4-propan-2-ylpiperazin-1-yl)methyl]-3-pyridinyl]-3-pyridinyl]pyridine-3-sulfonamide?

5-(3,6-dihydro-2H-pyran-4-yl)-2-methoxy-N-[5-[6-[(4-propan-2-ylpiperazin-1-yl)methyl]-3-pyridinyl]-3-pyridinyl]pyridine-3-sulfonamide has a molecular weight of 564.71 g/mol, XLogP of 3.68, 9 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(3,6-dihydro-2H-pyran-4-yl)-2-methoxy-N-[5-[6-[(4-propan-2-ylpiperazin-1-yl)methyl]-3-pyridinyl]-3-pyridinyl]pyridine-3-sulfonamide is sourced from PubChem (CID 164620413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).