6-[[(3R)-1-[5-[4-[[(2S)-2,4-dimethylpiperazin-1-yl]methyl]phenyl]pyrazin-2-yl]pyrrolidin-3-yl]methyl]-2,5,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidine

C30H39N9 — CID 146252771

About 6-[[(3R)-1-[5-[4-[[(2S)-2,4-dimethylpiperazin-1-yl]methyl]phenyl]pyrazin-2-yl]pyrrolidin-3-yl]methyl]-2,5,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidine

6-[[(3R)-1-[5-[4-[[(2S)-2,4-dimethylpiperazin-1-yl]methyl]phenyl]pyrazin-2-yl]pyrrolidin-3-yl]methyl]-2,5,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidine (PubChem CID 146252771) has the molecular formula C30H39N9 and a molecular weight of 525.71 g/mol. Its IUPAC name is 6-[[(3R)-1-[5-[4-[[(2S)-2,4-dimethylpiperazin-1-yl]methyl]phenyl]pyrazin-2-yl]pyrrolidin-3-yl]methyl]-2,5,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidine.

Molecular Properties

• Compound Name: 6-[[(3R)-1-[5-[4-[[(2S)-2,4-dimethylpiperazin-1-yl]methyl]phenyl]pyrazin-2-yl]pyrrolidin-3-yl]methyl]-2,5,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidine
• PubChem CID: 146252771
• Molecular Formula: C30H39N9
• Molecular Weight: 525.71 g/mol
• Exact Mass: 525.33
• IUPAC Name: 6-[[(3R)-1-[5-[4-[[(2S)-2,4-dimethylpiperazin-1-yl]methyl]phenyl]pyrazin-2-yl]pyrrolidin-3-yl]methyl]-2,5,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidine
• SMILES: Cc1nc2nc(C)c(C[C@@H]3CCN(c4cnc(-c5ccc(CN6CCN(C)C[C@@H]6C)cc5)cn4)C3)c(C)n2n1
• InChI: InChI=1S/C30H39N9/c1-20-17-36(5)12-13-37(20)18-24-6-8-26(9-7-24)28-15-32-29(16-31-28)38-11-10-25(19-38)14-27-21(2)33-30-34-23(4)35-39(30)22(27)3/h6-9,15-16,20,25H,10-14,17-19H2,1-5H3/t20-,25-/m0/s1
• InChIKey: FZDQYHCSPDGPKY-CPJSRVTESA-N
• XLogP: 3.71
• TPSA: 78.58 Ų
• H-Bond Acceptors: 9
• Rotatable Bonds: 6
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	525.71
LogP ≤ 5	3.71
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 6-[[(3R)-1-[5-[4-[[(2S)-2,4-dimethylpiperazin-1-yl]methyl]phenyl]pyrazin-2-yl]pyrrolidin-3-yl]methyl]-2,5,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidine?

The IUPAC name of 6-[[(3R)-1-[5-[4-[[(2S)-2,4-dimethylpiperazin-1-yl]methyl]phenyl]pyrazin-2-yl]pyrrolidin-3-yl]methyl]-2,5,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidine (CID 146252771) is 6-[[(3R)-1-[5-[4-[[(2S)-2,4-dimethylpiperazin-1-yl]methyl]phenyl]pyrazin-2-yl]pyrrolidin-3-yl]methyl]-2,5,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidine.

What is the SMILES notation for 6-[[(3R)-1-[5-[4-[[(2S)-2,4-dimethylpiperazin-1-yl]methyl]phenyl]pyrazin-2-yl]pyrrolidin-3-yl]methyl]-2,5,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidine?

The canonical SMILES for 6-[[(3R)-1-[5-[4-[[(2S)-2,4-dimethylpiperazin-1-yl]methyl]phenyl]pyrazin-2-yl]pyrrolidin-3-yl]methyl]-2,5,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidine is Cc1nc2nc(C)c(C[C@@H]3CCN(c4cnc(-c5ccc(CN6CCN(C)C[C@@H]6C)cc5)cn4)C3)c(C)n2n1.

What is the InChIKey of 6-[[(3R)-1-[5-[4-[[(2S)-2,4-dimethylpiperazin-1-yl]methyl]phenyl]pyrazin-2-yl]pyrrolidin-3-yl]methyl]-2,5,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidine?

The InChIKey is FZDQYHCSPDGPKY-CPJSRVTESA-N. The full InChI is InChI=1S/C30H39N9/c1-20-17-36(5)12-13-37(20)18-24-6-8-26(9-7-24)28-15-32-29(16-31-28)38-11-10-25(19-38)14-27-21(2)33-30-34-23(4)35-39(30)22(27)3/h6-9,15-16,20,25H,10-14,17-19H2,1-5H3/t20-,25-/m0/s1.

What are the key properties of 6-[[(3R)-1-[5-[4-[[(2S)-2,4-dimethylpiperazin-1-yl]methyl]phenyl]pyrazin-2-yl]pyrrolidin-3-yl]methyl]-2,5,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidine?

6-[[(3R)-1-[5-[4-[[(2S)-2,4-dimethylpiperazin-1-yl]methyl]phenyl]pyrazin-2-yl]pyrrolidin-3-yl]methyl]-2,5,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidine has a molecular weight of 525.71 g/mol, XLogP of 3.71, 6 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[[(3R)-1-[5-[4-[[(2S)-2,4-dimethylpiperazin-1-yl]methyl]phenyl]pyrazin-2-yl]pyrrolidin-3-yl]methyl]-2,5,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidine is sourced from PubChem (CID 146252771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).