7-[(4-methoxyphenyl)methyl]-4-methyl-2-[(2S)-1-(pyrazine-2-carbonyl)pyrrolidin-2-yl]-5H-pyrrolo[2,3-d]pyrimidin-6-one

C24H24N6O3 — CID 92629586

About 7-[(4-methoxyphenyl)methyl]-4-methyl-2-[(2S)-1-(pyrazine-2-carbonyl)pyrrolidin-2-yl]-5H-pyrrolo[2,3-d]pyrimidin-6-one

7-[(4-methoxyphenyl)methyl]-4-methyl-2-[(2S)-1-(pyrazine-2-carbonyl)pyrrolidin-2-yl]-5H-pyrrolo[2,3-d]pyrimidin-6-one (PubChem CID 92629586) has the molecular formula C24H24N6O3 and a molecular weight of 444.50 g/mol. Its IUPAC name is 7-[(4-methoxyphenyl)methyl]-4-methyl-2-[(2S)-1-(pyrazine-2-carbonyl)pyrrolidin-2-yl]-5H-pyrrolo[2,3-d]pyrimidin-6-one.

Molecular Properties

• Compound Name: 7-[(4-methoxyphenyl)methyl]-4-methyl-2-[(2S)-1-(pyrazine-2-carbonyl)pyrrolidin-2-yl]-5H-pyrrolo[2,3-d]pyrimidin-6-one
• PubChem CID: 92629586
• Molecular Formula: C24H24N6O3
• Molecular Weight: 444.50 g/mol
• Exact Mass: 444.19
• IUPAC Name: 7-[(4-methoxyphenyl)methyl]-4-methyl-2-[(2S)-1-(pyrazine-2-carbonyl)pyrrolidin-2-yl]-5H-pyrrolo[2,3-d]pyrimidin-6-one
• SMILES: COc1ccc(CN2C(=O)Cc3c(C)nc([C@@H]4CCCN4C(=O)c4cnccn4)nc32)cc1
• InChI: InChI=1S/C24H24N6O3/c1-15-18-12-21(31)30(14-16-5-7-17(33-2)8-6-16)23(18)28-22(27-15)20-4-3-11-29(20)24(32)19-13-25-9-10-26-19/h5-10,13,20H,3-4,11-12,14H2,1-2H3/t20-/m0/s1
• InChIKey: AMXNYIXCPHXWJR-FQEVSTJZSA-N
• XLogP: 2.65
• TPSA: 101.41 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	444.50
LogP ≤ 5	2.65
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 7-[(4-methoxyphenyl)methyl]-4-methyl-2-[(2S)-1-(pyrazine-2-carbonyl)pyrrolidin-2-yl]-5H-pyrrolo[2,3-d]pyrimidin-6-one?

The IUPAC name of 7-[(4-methoxyphenyl)methyl]-4-methyl-2-[(2S)-1-(pyrazine-2-carbonyl)pyrrolidin-2-yl]-5H-pyrrolo[2,3-d]pyrimidin-6-one (CID 92629586) is 7-[(4-methoxyphenyl)methyl]-4-methyl-2-[(2S)-1-(pyrazine-2-carbonyl)pyrrolidin-2-yl]-5H-pyrrolo[2,3-d]pyrimidin-6-one.

What is the SMILES notation for 7-[(4-methoxyphenyl)methyl]-4-methyl-2-[(2S)-1-(pyrazine-2-carbonyl)pyrrolidin-2-yl]-5H-pyrrolo[2,3-d]pyrimidin-6-one?

The canonical SMILES for 7-[(4-methoxyphenyl)methyl]-4-methyl-2-[(2S)-1-(pyrazine-2-carbonyl)pyrrolidin-2-yl]-5H-pyrrolo[2,3-d]pyrimidin-6-one is COc1ccc(CN2C(=O)Cc3c(C)nc([C@@H]4CCCN4C(=O)c4cnccn4)nc32)cc1.

What is the InChIKey of 7-[(4-methoxyphenyl)methyl]-4-methyl-2-[(2S)-1-(pyrazine-2-carbonyl)pyrrolidin-2-yl]-5H-pyrrolo[2,3-d]pyrimidin-6-one?

The InChIKey is AMXNYIXCPHXWJR-FQEVSTJZSA-N. The full InChI is InChI=1S/C24H24N6O3/c1-15-18-12-21(31)30(14-16-5-7-17(33-2)8-6-16)23(18)28-22(27-15)20-4-3-11-29(20)24(32)19-13-25-9-10-26-19/h5-10,13,20H,3-4,11-12,14H2,1-2H3/t20-/m0/s1.

What are the key properties of 7-[(4-methoxyphenyl)methyl]-4-methyl-2-[(2S)-1-(pyrazine-2-carbonyl)pyrrolidin-2-yl]-5H-pyrrolo[2,3-d]pyrimidin-6-one?

7-[(4-methoxyphenyl)methyl]-4-methyl-2-[(2S)-1-(pyrazine-2-carbonyl)pyrrolidin-2-yl]-5H-pyrrolo[2,3-d]pyrimidin-6-one has a molecular weight of 444.50 g/mol, XLogP of 2.65, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 7-[(4-methoxyphenyl)methyl]-4-methyl-2-[(2S)-1-(pyrazine-2-carbonyl)pyrrolidin-2-yl]-5H-pyrrolo[2,3-d]pyrimidin-6-one is sourced from PubChem (CID 92629586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).