(1R,2S)-1-methoxy-N-[5-(5-methyl-3-pyridinyl)-4-[(1R)-1-(oxan-2-yl)propyl]-1,2,4-triazol-3-yl]-1-(5-methylpyrimidin-2-yl)propane-2-sulfonamide

C25H35N7O4S — CID 134522984

About (1R,2S)-1-methoxy-N-[5-(5-methyl-3-pyridinyl)-4-[(1R)-1-(oxan-2-yl)propyl]-1,2,4-triazol-3-yl]-1-(5-methylpyrimidin-2-yl)propane-2-sulfonamide

(1R,2S)-1-methoxy-N-[5-(5-methyl-3-pyridinyl)-4-[(1R)-1-(oxan-2-yl)propyl]-1,2,4-triazol-3-yl]-1-(5-methylpyrimidin-2-yl)propane-2-sulfonamide (PubChem CID 134522984) has the molecular formula C25H35N7O4S and a molecular weight of 529.67 g/mol. Its IUPAC name is (1R,2S)-1-methoxy-N-[5-(5-methyl-3-pyridinyl)-4-[(1R)-1-(oxan-2-yl)propyl]-1,2,4-triazol-3-yl]-1-(5-methylpyrimidin-2-yl)propane-2-sulfonamide.

Molecular Properties

• Compound Name: (1R,2S)-1-methoxy-N-[5-(5-methyl-3-pyridinyl)-4-[(1R)-1-(oxan-2-yl)propyl]-1,2,4-triazol-3-yl]-1-(5-methylpyrimidin-2-yl)propane-2-sulfonamide
• PubChem CID: 134522984
• Molecular Formula: C25H35N7O4S
• Molecular Weight: 529.67 g/mol
• Exact Mass: 529.25
• IUPAC Name: (1R,2S)-1-methoxy-N-[5-(5-methyl-3-pyridinyl)-4-[(1R)-1-(oxan-2-yl)propyl]-1,2,4-triazol-3-yl]-1-(5-methylpyrimidin-2-yl)propane-2-sulfonamide
• SMILES: CC[C@H](C1CCCCO1)n1c(NS(=O)(=O)[C@@H](C)[C@H](OC)c2ncc(C)cn2)nnc1-c1cncc(C)c1
• InChI: InChI=1S/C25H35N7O4S/c1-6-20(21-9-7-8-10-36-21)32-24(19-11-16(2)12-26-15-19)29-30-25(32)31-37(33,34)18(4)22(35-5)23-27-13-17(3)14-28-23/h11-15,18,20-22H,6-10H2,1-5H3,(H,30,31)/t18-,20+,21?,22-/m0/s1
• InChIKey: UYGKCLCGXCHRQP-JNPXMFEPSA-N
• XLogP: 3.79
• TPSA: 134.01 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 10
• Rotatable Bonds: 10
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	529.67
LogP ≤ 5	3.79
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of (1R,2S)-1-methoxy-N-[5-(5-methyl-3-pyridinyl)-4-[(1R)-1-(oxan-2-yl)propyl]-1,2,4-triazol-3-yl]-1-(5-methylpyrimidin-2-yl)propane-2-sulfonamide?

The IUPAC name of (1R,2S)-1-methoxy-N-[5-(5-methyl-3-pyridinyl)-4-[(1R)-1-(oxan-2-yl)propyl]-1,2,4-triazol-3-yl]-1-(5-methylpyrimidin-2-yl)propane-2-sulfonamide (CID 134522984) is (1R,2S)-1-methoxy-N-[5-(5-methyl-3-pyridinyl)-4-[(1R)-1-(oxan-2-yl)propyl]-1,2,4-triazol-3-yl]-1-(5-methylpyrimidin-2-yl)propane-2-sulfonamide.

What is the SMILES notation for (1R,2S)-1-methoxy-N-[5-(5-methyl-3-pyridinyl)-4-[(1R)-1-(oxan-2-yl)propyl]-1,2,4-triazol-3-yl]-1-(5-methylpyrimidin-2-yl)propane-2-sulfonamide?

The canonical SMILES for (1R,2S)-1-methoxy-N-[5-(5-methyl-3-pyridinyl)-4-[(1R)-1-(oxan-2-yl)propyl]-1,2,4-triazol-3-yl]-1-(5-methylpyrimidin-2-yl)propane-2-sulfonamide is CC[C@H](C1CCCCO1)n1c(NS(=O)(=O)[C@@H](C)[C@H](OC)c2ncc(C)cn2)nnc1-c1cncc(C)c1.

What is the InChIKey of (1R,2S)-1-methoxy-N-[5-(5-methyl-3-pyridinyl)-4-[(1R)-1-(oxan-2-yl)propyl]-1,2,4-triazol-3-yl]-1-(5-methylpyrimidin-2-yl)propane-2-sulfonamide?

The InChIKey is UYGKCLCGXCHRQP-JNPXMFEPSA-N. The full InChI is InChI=1S/C25H35N7O4S/c1-6-20(21-9-7-8-10-36-21)32-24(19-11-16(2)12-26-15-19)29-30-25(32)31-37(33,34)18(4)22(35-5)23-27-13-17(3)14-28-23/h11-15,18,20-22H,6-10H2,1-5H3,(H,30,31)/t18-,20+,21?,22-/m0/s1.

What are the key properties of (1R,2S)-1-methoxy-N-[5-(5-methyl-3-pyridinyl)-4-[(1R)-1-(oxan-2-yl)propyl]-1,2,4-triazol-3-yl]-1-(5-methylpyrimidin-2-yl)propane-2-sulfonamide?

(1R,2S)-1-methoxy-N-[5-(5-methyl-3-pyridinyl)-4-[(1R)-1-(oxan-2-yl)propyl]-1,2,4-triazol-3-yl]-1-(5-methylpyrimidin-2-yl)propane-2-sulfonamide has a molecular weight of 529.67 g/mol, XLogP of 3.79, 10 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for (1R,2S)-1-methoxy-N-[5-(5-methyl-3-pyridinyl)-4-[(1R)-1-(oxan-2-yl)propyl]-1,2,4-triazol-3-yl]-1-(5-methylpyrimidin-2-yl)propane-2-sulfonamide is sourced from PubChem (CID 134522984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).