N-[2-[5-[(2-methylphenyl)methyl]-4-oxopyrazolo[5,4-d]pyrimidin-1-yl]ethyl]-2-(4-oxochromen-2-yl)acetamide

C26H23N5O4 — CID 42391938

About N-[2-[5-[(2-methylphenyl)methyl]-4-oxopyrazolo[5,4-d]pyrimidin-1-yl]ethyl]-2-(4-oxochromen-2-yl)acetamide

N-[2-[5-[(2-methylphenyl)methyl]-4-oxopyrazolo[5,4-d]pyrimidin-1-yl]ethyl]-2-(4-oxochromen-2-yl)acetamide (PubChem CID 42391938) has the molecular formula C26H23N5O4 and a molecular weight of 469.50 g/mol. Its IUPAC name is N-[2-[5-[(2-methylphenyl)methyl]-4-oxopyrazolo[5,4-d]pyrimidin-1-yl]ethyl]-2-(4-oxochromen-2-yl)acetamide.

Molecular Properties

• Compound Name: N-[2-[5-[(2-methylphenyl)methyl]-4-oxopyrazolo[5,4-d]pyrimidin-1-yl]ethyl]-2-(4-oxochromen-2-yl)acetamide
• PubChem CID: 42391938
• Molecular Formula: C26H23N5O4
• Molecular Weight: 469.50 g/mol
• Exact Mass: 469.18
• IUPAC Name: N-[2-[5-[(2-methylphenyl)methyl]-4-oxopyrazolo[5,4-d]pyrimidin-1-yl]ethyl]-2-(4-oxochromen-2-yl)acetamide
• SMILES: Cc1ccccc1Cn1cnc2c(cnn2CCNC(=O)Cc2cc(=O)c3ccccc3o2)c1=O
• InChI: InChI=1S/C26H23N5O4/c1-17-6-2-3-7-18(17)15-30-16-28-25-21(26(30)34)14-29-31(25)11-10-27-24(33)13-19-12-22(32)20-8-4-5-9-23(20)35-19/h2-9,12,14,16H,10-11,13,15H2,1H3,(H,27,33)
• InChIKey: VUHBJSSAXZEZJD-UHFFFAOYSA-N
• XLogP: 2.42
• TPSA: 112.02 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	469.50
LogP ≤ 5	2.42
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-[2-[5-[(2-methylphenyl)methyl]-4-oxopyrazolo[5,4-d]pyrimidin-1-yl]ethyl]-2-(4-oxochromen-2-yl)acetamide?

The IUPAC name of N-[2-[5-[(2-methylphenyl)methyl]-4-oxopyrazolo[5,4-d]pyrimidin-1-yl]ethyl]-2-(4-oxochromen-2-yl)acetamide (CID 42391938) is N-[2-[5-[(2-methylphenyl)methyl]-4-oxopyrazolo[5,4-d]pyrimidin-1-yl]ethyl]-2-(4-oxochromen-2-yl)acetamide.

What is the SMILES notation for N-[2-[5-[(2-methylphenyl)methyl]-4-oxopyrazolo[5,4-d]pyrimidin-1-yl]ethyl]-2-(4-oxochromen-2-yl)acetamide?

The canonical SMILES for N-[2-[5-[(2-methylphenyl)methyl]-4-oxopyrazolo[5,4-d]pyrimidin-1-yl]ethyl]-2-(4-oxochromen-2-yl)acetamide is Cc1ccccc1Cn1cnc2c(cnn2CCNC(=O)Cc2cc(=O)c3ccccc3o2)c1=O.

What is the InChIKey of N-[2-[5-[(2-methylphenyl)methyl]-4-oxopyrazolo[5,4-d]pyrimidin-1-yl]ethyl]-2-(4-oxochromen-2-yl)acetamide?

The InChIKey is VUHBJSSAXZEZJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23N5O4/c1-17-6-2-3-7-18(17)15-30-16-28-25-21(26(30)34)14-29-31(25)11-10-27-24(33)13-19-12-22(32)20-8-4-5-9-23(20)35-19/h2-9,12,14,16H,10-11,13,15H2,1H3,(H,27,33).

What are the key properties of N-[2-[5-[(2-methylphenyl)methyl]-4-oxopyrazolo[5,4-d]pyrimidin-1-yl]ethyl]-2-(4-oxochromen-2-yl)acetamide?

N-[2-[5-[(2-methylphenyl)methyl]-4-oxopyrazolo[5,4-d]pyrimidin-1-yl]ethyl]-2-(4-oxochromen-2-yl)acetamide has a molecular weight of 469.50 g/mol, XLogP of 2.42, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[5-[(2-methylphenyl)methyl]-4-oxopyrazolo[5,4-d]pyrimidin-1-yl]ethyl]-2-(4-oxochromen-2-yl)acetamide is sourced from PubChem (CID 42391938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).