N-[5-(6-methoxy-2-pyridinyl)-4-[(1S)-1-(1-methyl-1,2,4-triazol-3-yl)ethyl]-1,2,4-triazol-3-yl]-1-(5-methylpyrimidin-2-yl)-1-propan-2-yloxypropane-2-sulfonamide

C24H32N10O4S — CID 153436277

About N-[5-(6-methoxy-2-pyridinyl)-4-[(1S)-1-(1-methyl-1,2,4-triazol-3-yl)ethyl]-1,2,4-triazol-3-yl]-1-(5-methylpyrimidin-2-yl)-1-propan-2-yloxypropane-2-sulfonamide

N-[5-(6-methoxy-2-pyridinyl)-4-[(1S)-1-(1-methyl-1,2,4-triazol-3-yl)ethyl]-1,2,4-triazol-3-yl]-1-(5-methylpyrimidin-2-yl)-1-propan-2-yloxypropane-2-sulfonamide (PubChem CID 153436277) has the molecular formula C24H32N10O4S and a molecular weight of 556.65 g/mol. Its IUPAC name is N-[5-(6-methoxy-2-pyridinyl)-4-[(1S)-1-(1-methyl-1,2,4-triazol-3-yl)ethyl]-1,2,4-triazol-3-yl]-1-(5-methylpyrimidin-2-yl)-1-propan-2-yloxypropane-2-sulfonamide.

Molecular Properties

• Compound Name: N-[5-(6-methoxy-2-pyridinyl)-4-[(1S)-1-(1-methyl-1,2,4-triazol-3-yl)ethyl]-1,2,4-triazol-3-yl]-1-(5-methylpyrimidin-2-yl)-1-propan-2-yloxypropane-2-sulfonamide
• PubChem CID: 153436277
• Molecular Formula: C24H32N10O4S
• Molecular Weight: 556.65 g/mol
• Exact Mass: 556.23
• IUPAC Name: N-[5-(6-methoxy-2-pyridinyl)-4-[(1S)-1-(1-methyl-1,2,4-triazol-3-yl)ethyl]-1,2,4-triazol-3-yl]-1-(5-methylpyrimidin-2-yl)-1-propan-2-yloxypropane-2-sulfonamide
• SMILES: COc1cccc(-c2nnc(NS(=O)(=O)C(C)C(OC(C)C)c3ncc(C)cn3)n2[C@@H](C)c2ncn(C)n2)n1
• InChI: InChI=1S/C24H32N10O4S/c1-14(2)38-20(22-25-11-15(3)12-26-22)17(5)39(35,36)32-24-30-29-23(18-9-8-10-19(28-18)37-7)34(24)16(4)21-27-13-33(6)31-21/h8-14,16-17,20H,1-7H3,(H,30,32)/t16-,17?,20?/m0/s1
• InChIKey: MERZDPTWNLEXCF-VXESANQCSA-N
• XLogP: 2.48
• TPSA: 164.72 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 13
• Rotatable Bonds: 11
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	556.65
LogP ≤ 5	2.48
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	13

Frequently Asked Questions

What is the IUPAC name of N-[5-(6-methoxy-2-pyridinyl)-4-[(1S)-1-(1-methyl-1,2,4-triazol-3-yl)ethyl]-1,2,4-triazol-3-yl]-1-(5-methylpyrimidin-2-yl)-1-propan-2-yloxypropane-2-sulfonamide?

The IUPAC name of N-[5-(6-methoxy-2-pyridinyl)-4-[(1S)-1-(1-methyl-1,2,4-triazol-3-yl)ethyl]-1,2,4-triazol-3-yl]-1-(5-methylpyrimidin-2-yl)-1-propan-2-yloxypropane-2-sulfonamide (CID 153436277) is N-[5-(6-methoxy-2-pyridinyl)-4-[(1S)-1-(1-methyl-1,2,4-triazol-3-yl)ethyl]-1,2,4-triazol-3-yl]-1-(5-methylpyrimidin-2-yl)-1-propan-2-yloxypropane-2-sulfonamide.

What is the SMILES notation for N-[5-(6-methoxy-2-pyridinyl)-4-[(1S)-1-(1-methyl-1,2,4-triazol-3-yl)ethyl]-1,2,4-triazol-3-yl]-1-(5-methylpyrimidin-2-yl)-1-propan-2-yloxypropane-2-sulfonamide?

The canonical SMILES for N-[5-(6-methoxy-2-pyridinyl)-4-[(1S)-1-(1-methyl-1,2,4-triazol-3-yl)ethyl]-1,2,4-triazol-3-yl]-1-(5-methylpyrimidin-2-yl)-1-propan-2-yloxypropane-2-sulfonamide is COc1cccc(-c2nnc(NS(=O)(=O)C(C)C(OC(C)C)c3ncc(C)cn3)n2[C@@H](C)c2ncn(C)n2)n1.

What is the InChIKey of N-[5-(6-methoxy-2-pyridinyl)-4-[(1S)-1-(1-methyl-1,2,4-triazol-3-yl)ethyl]-1,2,4-triazol-3-yl]-1-(5-methylpyrimidin-2-yl)-1-propan-2-yloxypropane-2-sulfonamide?

The InChIKey is MERZDPTWNLEXCF-VXESANQCSA-N. The full InChI is InChI=1S/C24H32N10O4S/c1-14(2)38-20(22-25-11-15(3)12-26-22)17(5)39(35,36)32-24-30-29-23(18-9-8-10-19(28-18)37-7)34(24)16(4)21-27-13-33(6)31-21/h8-14,16-17,20H,1-7H3,(H,30,32)/t16-,17?,20?/m0/s1.

What are the key properties of N-[5-(6-methoxy-2-pyridinyl)-4-[(1S)-1-(1-methyl-1,2,4-triazol-3-yl)ethyl]-1,2,4-triazol-3-yl]-1-(5-methylpyrimidin-2-yl)-1-propan-2-yloxypropane-2-sulfonamide?

N-[5-(6-methoxy-2-pyridinyl)-4-[(1S)-1-(1-methyl-1,2,4-triazol-3-yl)ethyl]-1,2,4-triazol-3-yl]-1-(5-methylpyrimidin-2-yl)-1-propan-2-yloxypropane-2-sulfonamide has a molecular weight of 556.65 g/mol, XLogP of 2.48, 11 rotatable bonds, 1 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-(6-methoxy-2-pyridinyl)-4-[(1S)-1-(1-methyl-1,2,4-triazol-3-yl)ethyl]-1,2,4-triazol-3-yl]-1-(5-methylpyrimidin-2-yl)-1-propan-2-yloxypropane-2-sulfonamide is sourced from PubChem (CID 153436277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).