N,N-dimethyl-5-[4-(7-methyl-6-phenyl-4a,7a-dihydropyrrolo[2,3-d]pyrimidine-5-carbonyl)piperazin-1-yl]pyrazine-2-carboxamide

C25H28N8O2 — CID 146373484

About N,N-dimethyl-5-[4-(7-methyl-6-phenyl-4a,7a-dihydropyrrolo[2,3-d]pyrimidine-5-carbonyl)piperazin-1-yl]pyrazine-2-carboxamide

N,N-dimethyl-5-[4-(7-methyl-6-phenyl-4a,7a-dihydropyrrolo[2,3-d]pyrimidine-5-carbonyl)piperazin-1-yl]pyrazine-2-carboxamide (PubChem CID 146373484) has the molecular formula C25H28N8O2 and a molecular weight of 472.55 g/mol. Its IUPAC name is N,N-dimethyl-5-[4-(7-methyl-6-phenyl-4a,7a-dihydropyrrolo[2,3-d]pyrimidine-5-carbonyl)piperazin-1-yl]pyrazine-2-carboxamide.

Molecular Properties

• Compound Name: N,N-dimethyl-5-[4-(7-methyl-6-phenyl-4a,7a-dihydropyrrolo[2,3-d]pyrimidine-5-carbonyl)piperazin-1-yl]pyrazine-2-carboxamide
• PubChem CID: 146373484
• Molecular Formula: C25H28N8O2
• Molecular Weight: 472.55 g/mol
• Exact Mass: 472.23
• IUPAC Name: N,N-dimethyl-5-[4-(7-methyl-6-phenyl-4a,7a-dihydropyrrolo[2,3-d]pyrimidine-5-carbonyl)piperazin-1-yl]pyrazine-2-carboxamide
• SMILES: CN(C)C(=O)c1cnc(N2CCN(C(=O)C3=C(c4ccccc4)N(C)C4N=CN=CC34)CC2)cn1
• InChI: InChI=1S/C25H28N8O2/c1-30(2)24(34)19-14-28-20(15-27-19)32-9-11-33(12-10-32)25(35)21-18-13-26-16-29-23(18)31(3)22(21)17-7-5-4-6-8-17/h4-8,13-16,18,23H,9-12H2,1-3H3
• InChIKey: PCJMYOQOXBHRDI-UHFFFAOYSA-N
• XLogP: 1.24
• TPSA: 97.60 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 4
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	472.55
LogP ≤ 5	1.24
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-5-[4-(7-methyl-6-phenyl-4a,7a-dihydropyrrolo[2,3-d]pyrimidine-5-carbonyl)piperazin-1-yl]pyrazine-2-carboxamide?

The IUPAC name of N,N-dimethyl-5-[4-(7-methyl-6-phenyl-4a,7a-dihydropyrrolo[2,3-d]pyrimidine-5-carbonyl)piperazin-1-yl]pyrazine-2-carboxamide (CID 146373484) is N,N-dimethyl-5-[4-(7-methyl-6-phenyl-4a,7a-dihydropyrrolo[2,3-d]pyrimidine-5-carbonyl)piperazin-1-yl]pyrazine-2-carboxamide.

What is the SMILES notation for N,N-dimethyl-5-[4-(7-methyl-6-phenyl-4a,7a-dihydropyrrolo[2,3-d]pyrimidine-5-carbonyl)piperazin-1-yl]pyrazine-2-carboxamide?

The canonical SMILES for N,N-dimethyl-5-[4-(7-methyl-6-phenyl-4a,7a-dihydropyrrolo[2,3-d]pyrimidine-5-carbonyl)piperazin-1-yl]pyrazine-2-carboxamide is CN(C)C(=O)c1cnc(N2CCN(C(=O)C3=C(c4ccccc4)N(C)C4N=CN=CC34)CC2)cn1.

What is the InChIKey of N,N-dimethyl-5-[4-(7-methyl-6-phenyl-4a,7a-dihydropyrrolo[2,3-d]pyrimidine-5-carbonyl)piperazin-1-yl]pyrazine-2-carboxamide?

The InChIKey is PCJMYOQOXBHRDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N8O2/c1-30(2)24(34)19-14-28-20(15-27-19)32-9-11-33(12-10-32)25(35)21-18-13-26-16-29-23(18)31(3)22(21)17-7-5-4-6-8-17/h4-8,13-16,18,23H,9-12H2,1-3H3.

What are the key properties of N,N-dimethyl-5-[4-(7-methyl-6-phenyl-4a,7a-dihydropyrrolo[2,3-d]pyrimidine-5-carbonyl)piperazin-1-yl]pyrazine-2-carboxamide?

N,N-dimethyl-5-[4-(7-methyl-6-phenyl-4a,7a-dihydropyrrolo[2,3-d]pyrimidine-5-carbonyl)piperazin-1-yl]pyrazine-2-carboxamide has a molecular weight of 472.55 g/mol, XLogP of 1.24, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N,N-dimethyl-5-[4-(7-methyl-6-phenyl-4a,7a-dihydropyrrolo[2,3-d]pyrimidine-5-carbonyl)piperazin-1-yl]pyrazine-2-carboxamide is sourced from PubChem (CID 146373484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).