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

C30H39N9 — CID 146252829

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

2,5,7-trimethyl-6-[[(3R)-1-[6-methyl-5-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]pyrazin-2-yl]pyrrolidin-3-yl]methyl]-[1,2,4]triazolo[1,5-a]pyrimidine (PubChem CID 146252829) has the molecular formula C30H39N9 and a molecular weight of 525.71 g/mol. Its IUPAC name is 2,5,7-trimethyl-6-[[(3R)-1-[6-methyl-5-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]pyrazin-2-yl]pyrrolidin-3-yl]methyl]-[1,2,4]triazolo[1,5-a]pyrimidine.

Molecular Properties

• Compound Name: 2,5,7-trimethyl-6-[[(3R)-1-[6-methyl-5-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]pyrazin-2-yl]pyrrolidin-3-yl]methyl]-[1,2,4]triazolo[1,5-a]pyrimidine
• PubChem CID: 146252829
• Molecular Formula: C30H39N9
• Molecular Weight: 525.71 g/mol
• Exact Mass: 525.33
• IUPAC Name: 2,5,7-trimethyl-6-[[(3R)-1-[6-methyl-5-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]pyrazin-2-yl]pyrrolidin-3-yl]methyl]-[1,2,4]triazolo[1,5-a]pyrimidine
• SMILES: Cc1nc2nc(C)c(C[C@@H]3CCN(c4cnc(-c5ccc(CN6CCN(C)CC6)cc5)c(C)n4)C3)c(C)n2n1
• InChI: InChI=1S/C30H39N9/c1-20-27(22(3)39-30(33-20)34-23(4)35-39)16-25-10-11-38(19-25)28-17-31-29(21(2)32-28)26-8-6-24(7-9-26)18-37-14-12-36(5)13-15-37/h6-9,17,25H,10-16,18-19H2,1-5H3/t25-/m0/s1
• InChIKey: BGUWBXDGHMCCSK-VWLOTQADSA-N
• XLogP: 3.63
• 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	3.63
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

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

The IUPAC name of 2,5,7-trimethyl-6-[[(3R)-1-[6-methyl-5-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]pyrazin-2-yl]pyrrolidin-3-yl]methyl]-[1,2,4]triazolo[1,5-a]pyrimidine (CID 146252829) is 2,5,7-trimethyl-6-[[(3R)-1-[6-methyl-5-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]pyrazin-2-yl]pyrrolidin-3-yl]methyl]-[1,2,4]triazolo[1,5-a]pyrimidine.

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

The canonical SMILES for 2,5,7-trimethyl-6-[[(3R)-1-[6-methyl-5-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]pyrazin-2-yl]pyrrolidin-3-yl]methyl]-[1,2,4]triazolo[1,5-a]pyrimidine is Cc1nc2nc(C)c(C[C@@H]3CCN(c4cnc(-c5ccc(CN6CCN(C)CC6)cc5)c(C)n4)C3)c(C)n2n1.

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

The InChIKey is BGUWBXDGHMCCSK-VWLOTQADSA-N. The full InChI is InChI=1S/C30H39N9/c1-20-27(22(3)39-30(33-20)34-23(4)35-39)16-25-10-11-38(19-25)28-17-31-29(21(2)32-28)26-8-6-24(7-9-26)18-37-14-12-36(5)13-15-37/h6-9,17,25H,10-16,18-19H2,1-5H3/t25-/m0/s1.

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

2,5,7-trimethyl-6-[[(3R)-1-[6-methyl-5-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]pyrazin-2-yl]pyrrolidin-3-yl]methyl]-[1,2,4]triazolo[1,5-a]pyrimidine has a molecular weight of 525.71 g/mol, XLogP of 3.63, 6 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 2,5,7-trimethyl-6-[[(3R)-1-[6-methyl-5-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]pyrazin-2-yl]pyrrolidin-3-yl]methyl]-[1,2,4]triazolo[1,5-a]pyrimidine is sourced from PubChem (CID 146252829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).