N-[3-[(4R)-5-cyclopentyl-4-propyl-4H-[1,2,4]triazolo[4,3-f]pteridin-7-yl]phenyl]methanesulfonamide

C22H27N7O2S — CID 66979477

About N-[3-[(4R)-5-cyclopentyl-4-propyl-4H-[1,2,4]triazolo[4,3-f]pteridin-7-yl]phenyl]methanesulfonamide

N-[3-[(4R)-5-cyclopentyl-4-propyl-4H-[1,2,4]triazolo[4,3-f]pteridin-7-yl]phenyl]methanesulfonamide (PubChem CID 66979477) has the molecular formula C22H27N7O2S and a molecular weight of 453.57 g/mol. Its IUPAC name is N-[3-[(4R)-5-cyclopentyl-4-propyl-4H-[1,2,4]triazolo[4,3-f]pteridin-7-yl]phenyl]methanesulfonamide.

Molecular Properties

• Compound Name: N-[3-[(4R)-5-cyclopentyl-4-propyl-4H-[1,2,4]triazolo[4,3-f]pteridin-7-yl]phenyl]methanesulfonamide
• PubChem CID: 66979477
• Molecular Formula: C22H27N7O2S
• Molecular Weight: 453.57 g/mol
• Exact Mass: 453.19
• IUPAC Name: N-[3-[(4R)-5-cyclopentyl-4-propyl-4H-[1,2,4]triazolo[4,3-f]pteridin-7-yl]phenyl]methanesulfonamide
• SMILES: CCC[C@@H]1c2nncn2-c2cnc(-c3cccc(NS(C)(=O)=O)c3)nc2N1C1CCCC1
• InChI: InChI=1S/C22H27N7O2S/c1-3-7-18-22-26-24-14-28(22)19-13-23-20(25-21(19)29(18)17-10-4-5-11-17)15-8-6-9-16(12-15)27-32(2,30)31/h6,8-9,12-14,17-18,27H,3-5,7,10-11H2,1-2H3/t18-/m1/s1
• InChIKey: BOJRNIGREMAJOS-GOSISDBHSA-N
• XLogP: 3.70
• TPSA: 105.90 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	453.57
LogP ≤ 5	3.70
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-[3-[(4R)-5-cyclopentyl-4-propyl-4H-[1,2,4]triazolo[4,3-f]pteridin-7-yl]phenyl]methanesulfonamide?

The IUPAC name of N-[3-[(4R)-5-cyclopentyl-4-propyl-4H-[1,2,4]triazolo[4,3-f]pteridin-7-yl]phenyl]methanesulfonamide (CID 66979477) is N-[3-[(4R)-5-cyclopentyl-4-propyl-4H-[1,2,4]triazolo[4,3-f]pteridin-7-yl]phenyl]methanesulfonamide.

What is the SMILES notation for N-[3-[(4R)-5-cyclopentyl-4-propyl-4H-[1,2,4]triazolo[4,3-f]pteridin-7-yl]phenyl]methanesulfonamide?

The canonical SMILES for N-[3-[(4R)-5-cyclopentyl-4-propyl-4H-[1,2,4]triazolo[4,3-f]pteridin-7-yl]phenyl]methanesulfonamide is CCC[C@@H]1c2nncn2-c2cnc(-c3cccc(NS(C)(=O)=O)c3)nc2N1C1CCCC1.

What is the InChIKey of N-[3-[(4R)-5-cyclopentyl-4-propyl-4H-[1,2,4]triazolo[4,3-f]pteridin-7-yl]phenyl]methanesulfonamide?

The InChIKey is BOJRNIGREMAJOS-GOSISDBHSA-N. The full InChI is InChI=1S/C22H27N7O2S/c1-3-7-18-22-26-24-14-28(22)19-13-23-20(25-21(19)29(18)17-10-4-5-11-17)15-8-6-9-16(12-15)27-32(2,30)31/h6,8-9,12-14,17-18,27H,3-5,7,10-11H2,1-2H3/t18-/m1/s1.

What are the key properties of N-[3-[(4R)-5-cyclopentyl-4-propyl-4H-[1,2,4]triazolo[4,3-f]pteridin-7-yl]phenyl]methanesulfonamide?

N-[3-[(4R)-5-cyclopentyl-4-propyl-4H-[1,2,4]triazolo[4,3-f]pteridin-7-yl]phenyl]methanesulfonamide has a molecular weight of 453.57 g/mol, XLogP of 3.70, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-[(4R)-5-cyclopentyl-4-propyl-4H-[1,2,4]triazolo[4,3-f]pteridin-7-yl]phenyl]methanesulfonamide is sourced from PubChem (CID 66979477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).