2-[2-[(2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]pyrrol-1-yl]acetic acid

C20H20N4O2 — CID 24917856

About 2-[2-[(2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]pyrrol-1-yl]acetic acid

2-[2-[(2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]pyrrol-1-yl]acetic acid (PubChem CID 24917856) has the molecular formula C20H20N4O2 and a molecular weight of 348.41 g/mol. Its IUPAC name is 2-[2-[(2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]pyrrol-1-yl]acetic acid.

Molecular Properties

• Compound Name: 2-[2-[(2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]pyrrol-1-yl]acetic acid
• PubChem CID: 24917856
• Molecular Formula: C20H20N4O2
• Molecular Weight: 348.41 g/mol
• Exact Mass: 348.16
• IUPAC Name: 2-[2-[(2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]pyrrol-1-yl]acetic acid
• SMILES: O=C(O)Cn1cccc1CN1CCc2nc(-c3ccccc3)ncc2C1
• InChI: InChI=1S/C20H20N4O2/c25-19(26)14-24-9-4-7-17(24)13-23-10-8-18-16(12-23)11-21-20(22-18)15-5-2-1-3-6-15/h1-7,9,11H,8,10,12-14H2,(H,25,26)
• InChIKey: RJIAPUVRNIMTRU-UHFFFAOYSA-N
• XLogP: 2.59
• TPSA: 71.25 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	348.41
LogP ≤ 5	2.59
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]pyrrol-1-yl]acetic acid?

The IUPAC name of 2-[2-[(2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]pyrrol-1-yl]acetic acid (CID 24917856) is 2-[2-[(2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]pyrrol-1-yl]acetic acid.

What is the SMILES notation for 2-[2-[(2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]pyrrol-1-yl]acetic acid?

The canonical SMILES for 2-[2-[(2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]pyrrol-1-yl]acetic acid is O=C(O)Cn1cccc1CN1CCc2nc(-c3ccccc3)ncc2C1.

What is the InChIKey of 2-[2-[(2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]pyrrol-1-yl]acetic acid?

The InChIKey is RJIAPUVRNIMTRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O2/c25-19(26)14-24-9-4-7-17(24)13-23-10-8-18-16(12-23)11-21-20(22-18)15-5-2-1-3-6-15/h1-7,9,11H,8,10,12-14H2,(H,25,26).

What are the key properties of 2-[2-[(2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]pyrrol-1-yl]acetic acid?

2-[2-[(2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]pyrrol-1-yl]acetic acid has a molecular weight of 348.41 g/mol, XLogP of 2.59, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-[(2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]pyrrol-1-yl]acetic acid is sourced from PubChem (CID 24917856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).