N-[2-[(2R)-2-(7-benzyl-4-methyl-6-oxo-5H-pyrrolo[2,3-d]pyrimidin-2-yl)pyrrolidin-1-yl]-2-oxoethyl]acetamide

C22H25N5O3 — CID 92630611

About N-[2-[(2R)-2-(7-benzyl-4-methyl-6-oxo-5H-pyrrolo[2,3-d]pyrimidin-2-yl)pyrrolidin-1-yl]-2-oxoethyl]acetamide

N-[2-[(2R)-2-(7-benzyl-4-methyl-6-oxo-5H-pyrrolo[2,3-d]pyrimidin-2-yl)pyrrolidin-1-yl]-2-oxoethyl]acetamide (PubChem CID 92630611) has the molecular formula C22H25N5O3 and a molecular weight of 407.47 g/mol. Its IUPAC name is N-[2-[(2R)-2-(7-benzyl-4-methyl-6-oxo-5H-pyrrolo[2,3-d]pyrimidin-2-yl)pyrrolidin-1-yl]-2-oxoethyl]acetamide.

Molecular Properties

• Compound Name: N-[2-[(2R)-2-(7-benzyl-4-methyl-6-oxo-5H-pyrrolo[2,3-d]pyrimidin-2-yl)pyrrolidin-1-yl]-2-oxoethyl]acetamide
• PubChem CID: 92630611
• Molecular Formula: C22H25N5O3
• Molecular Weight: 407.47 g/mol
• Exact Mass: 407.20
• IUPAC Name: N-[2-[(2R)-2-(7-benzyl-4-methyl-6-oxo-5H-pyrrolo[2,3-d]pyrimidin-2-yl)pyrrolidin-1-yl]-2-oxoethyl]acetamide
• SMILES: CC(=O)NCC(=O)N1CCC[C@@H]1c1nc(C)c2c(n1)N(Cc1ccccc1)C(=O)C2
• InChI: InChI=1S/C22H25N5O3/c1-14-17-11-19(29)27(13-16-7-4-3-5-8-16)22(17)25-21(24-14)18-9-6-10-26(18)20(30)12-23-15(2)28/h3-5,7-8,18H,6,9-13H2,1-2H3,(H,23,28)/t18-/m1/s1
• InChIKey: MGVKZHFTOGGXSH-GOSISDBHSA-N
• XLogP: 1.67
• TPSA: 95.50 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	407.47
LogP ≤ 5	1.67
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2R)-2-(7-benzyl-4-methyl-6-oxo-5H-pyrrolo[2,3-d]pyrimidin-2-yl)pyrrolidin-1-yl]-2-oxoethyl]acetamide?

The IUPAC name of N-[2-[(2R)-2-(7-benzyl-4-methyl-6-oxo-5H-pyrrolo[2,3-d]pyrimidin-2-yl)pyrrolidin-1-yl]-2-oxoethyl]acetamide (CID 92630611) is N-[2-[(2R)-2-(7-benzyl-4-methyl-6-oxo-5H-pyrrolo[2,3-d]pyrimidin-2-yl)pyrrolidin-1-yl]-2-oxoethyl]acetamide.

What is the SMILES notation for N-[2-[(2R)-2-(7-benzyl-4-methyl-6-oxo-5H-pyrrolo[2,3-d]pyrimidin-2-yl)pyrrolidin-1-yl]-2-oxoethyl]acetamide?

The canonical SMILES for N-[2-[(2R)-2-(7-benzyl-4-methyl-6-oxo-5H-pyrrolo[2,3-d]pyrimidin-2-yl)pyrrolidin-1-yl]-2-oxoethyl]acetamide is CC(=O)NCC(=O)N1CCC[C@@H]1c1nc(C)c2c(n1)N(Cc1ccccc1)C(=O)C2.

What is the InChIKey of N-[2-[(2R)-2-(7-benzyl-4-methyl-6-oxo-5H-pyrrolo[2,3-d]pyrimidin-2-yl)pyrrolidin-1-yl]-2-oxoethyl]acetamide?

The InChIKey is MGVKZHFTOGGXSH-GOSISDBHSA-N. The full InChI is InChI=1S/C22H25N5O3/c1-14-17-11-19(29)27(13-16-7-4-3-5-8-16)22(17)25-21(24-14)18-9-6-10-26(18)20(30)12-23-15(2)28/h3-5,7-8,18H,6,9-13H2,1-2H3,(H,23,28)/t18-/m1/s1.

What are the key properties of N-[2-[(2R)-2-(7-benzyl-4-methyl-6-oxo-5H-pyrrolo[2,3-d]pyrimidin-2-yl)pyrrolidin-1-yl]-2-oxoethyl]acetamide?

N-[2-[(2R)-2-(7-benzyl-4-methyl-6-oxo-5H-pyrrolo[2,3-d]pyrimidin-2-yl)pyrrolidin-1-yl]-2-oxoethyl]acetamide has a molecular weight of 407.47 g/mol, XLogP of 1.67, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[(2R)-2-(7-benzyl-4-methyl-6-oxo-5H-pyrrolo[2,3-d]pyrimidin-2-yl)pyrrolidin-1-yl]-2-oxoethyl]acetamide is sourced from PubChem (CID 92630611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).