N-[4-[[4-[[2-(6-methyl-2-pyridinyl)pyrimidin-4-yl]methyl]pyrimidin-2-yl]methyl]phenyl]-3H-pyrrole-5-sulfonamide

C26H23N7O2S — CID 167599037

About N-[4-[[4-[[2-(6-methyl-2-pyridinyl)pyrimidin-4-yl]methyl]pyrimidin-2-yl]methyl]phenyl]-3H-pyrrole-5-sulfonamide

N-[4-[[4-[[2-(6-methyl-2-pyridinyl)pyrimidin-4-yl]methyl]pyrimidin-2-yl]methyl]phenyl]-3H-pyrrole-5-sulfonamide (PubChem CID 167599037) has the molecular formula C26H23N7O2S and a molecular weight of 497.58 g/mol. Its IUPAC name is N-[4-[[4-[[2-(6-methyl-2-pyridinyl)pyrimidin-4-yl]methyl]pyrimidin-2-yl]methyl]phenyl]-3H-pyrrole-5-sulfonamide.

Molecular Properties

• Compound Name: N-[4-[[4-[[2-(6-methyl-2-pyridinyl)pyrimidin-4-yl]methyl]pyrimidin-2-yl]methyl]phenyl]-3H-pyrrole-5-sulfonamide
• PubChem CID: 167599037
• Molecular Formula: C26H23N7O2S
• Molecular Weight: 497.58 g/mol
• Exact Mass: 497.16
• IUPAC Name: N-[4-[[4-[[2-(6-methyl-2-pyridinyl)pyrimidin-4-yl]methyl]pyrimidin-2-yl]methyl]phenyl]-3H-pyrrole-5-sulfonamide
• SMILES: Cc1cccc(-c2nccc(Cc3ccnc(Cc4ccc(NS(=O)(=O)C5=CCC=N5)cc4)n3)n2)n1
• InChI: InChI=1S/C26H23N7O2S/c1-18-4-2-5-23(30-18)26-29-15-12-22(32-26)17-21-11-14-27-24(31-21)16-19-7-9-20(10-8-19)33-36(34,35)25-6-3-13-28-25/h2,4-15,33H,3,16-17H2,1H3
• InChIKey: JLYXZPKQELPYMG-UHFFFAOYSA-N
• XLogP: 3.88
• TPSA: 122.98 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	497.58
LogP ≤ 5	3.88
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-[4-[[4-[[2-(6-methyl-2-pyridinyl)pyrimidin-4-yl]methyl]pyrimidin-2-yl]methyl]phenyl]-3H-pyrrole-5-sulfonamide?

The IUPAC name of N-[4-[[4-[[2-(6-methyl-2-pyridinyl)pyrimidin-4-yl]methyl]pyrimidin-2-yl]methyl]phenyl]-3H-pyrrole-5-sulfonamide (CID 167599037) is N-[4-[[4-[[2-(6-methyl-2-pyridinyl)pyrimidin-4-yl]methyl]pyrimidin-2-yl]methyl]phenyl]-3H-pyrrole-5-sulfonamide.

What is the SMILES notation for N-[4-[[4-[[2-(6-methyl-2-pyridinyl)pyrimidin-4-yl]methyl]pyrimidin-2-yl]methyl]phenyl]-3H-pyrrole-5-sulfonamide?

The canonical SMILES for N-[4-[[4-[[2-(6-methyl-2-pyridinyl)pyrimidin-4-yl]methyl]pyrimidin-2-yl]methyl]phenyl]-3H-pyrrole-5-sulfonamide is Cc1cccc(-c2nccc(Cc3ccnc(Cc4ccc(NS(=O)(=O)C5=CCC=N5)cc4)n3)n2)n1.

What is the InChIKey of N-[4-[[4-[[2-(6-methyl-2-pyridinyl)pyrimidin-4-yl]methyl]pyrimidin-2-yl]methyl]phenyl]-3H-pyrrole-5-sulfonamide?

The InChIKey is JLYXZPKQELPYMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23N7O2S/c1-18-4-2-5-23(30-18)26-29-15-12-22(32-26)17-21-11-14-27-24(31-21)16-19-7-9-20(10-8-19)33-36(34,35)25-6-3-13-28-25/h2,4-15,33H,3,16-17H2,1H3.

What are the key properties of N-[4-[[4-[[2-(6-methyl-2-pyridinyl)pyrimidin-4-yl]methyl]pyrimidin-2-yl]methyl]phenyl]-3H-pyrrole-5-sulfonamide?

N-[4-[[4-[[2-(6-methyl-2-pyridinyl)pyrimidin-4-yl]methyl]pyrimidin-2-yl]methyl]phenyl]-3H-pyrrole-5-sulfonamide has a molecular weight of 497.58 g/mol, XLogP of 3.88, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[[4-[[2-(6-methyl-2-pyridinyl)pyrimidin-4-yl]methyl]pyrimidin-2-yl]methyl]phenyl]-3H-pyrrole-5-sulfonamide is sourced from PubChem (CID 167599037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).