N-(5-fluoro-6-methoxy-2,3-dihydro-1H-inden-1-yl)-2-(4-methyl-6-oxo-2-pyrrolidin-1-yl-1H-pyrimidin-5-yl)acetamide

C21H25FN4O3 — CID 146122288

About N-(5-fluoro-6-methoxy-2,3-dihydro-1H-inden-1-yl)-2-(4-methyl-6-oxo-2-pyrrolidin-1-yl-1H-pyrimidin-5-yl)acetamide

N-(5-fluoro-6-methoxy-2,3-dihydro-1H-inden-1-yl)-2-(4-methyl-6-oxo-2-pyrrolidin-1-yl-1H-pyrimidin-5-yl)acetamide (PubChem CID 146122288) has the molecular formula C21H25FN4O3 and a molecular weight of 400.45 g/mol. Its IUPAC name is N-(5-fluoro-6-methoxy-2,3-dihydro-1H-inden-1-yl)-2-(4-methyl-6-oxo-2-pyrrolidin-1-yl-1H-pyrimidin-5-yl)acetamide.

Molecular Properties

• Compound Name: N-(5-fluoro-6-methoxy-2,3-dihydro-1H-inden-1-yl)-2-(4-methyl-6-oxo-2-pyrrolidin-1-yl-1H-pyrimidin-5-yl)acetamide
• PubChem CID: 146122288
• Molecular Formula: C21H25FN4O3
• Molecular Weight: 400.45 g/mol
• Exact Mass: 400.19
• IUPAC Name: N-(5-fluoro-6-methoxy-2,3-dihydro-1H-inden-1-yl)-2-(4-methyl-6-oxo-2-pyrrolidin-1-yl-1H-pyrimidin-5-yl)acetamide
• SMILES: COc1cc2c(cc1F)CCC2NC(=O)Cc1c(C)nc(N2CCCC2)[nH]c1=O
• InChI: InChI=1S/C21H25FN4O3/c1-12-14(20(28)25-21(23-12)26-7-3-4-8-26)11-19(27)24-17-6-5-13-9-16(22)18(29-2)10-15(13)17/h9-10,17H,3-8,11H2,1-2H3,(H,24,27)(H,23,25,28)
• InChIKey: XXSDXBZOYKNGAP-UHFFFAOYSA-N
• XLogP: 2.17
• TPSA: 87.32 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	400.45
LogP ≤ 5	2.17
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-(5-fluoro-6-methoxy-2,3-dihydro-1H-inden-1-yl)-2-(4-methyl-6-oxo-2-pyrrolidin-1-yl-1H-pyrimidin-5-yl)acetamide?

The IUPAC name of N-(5-fluoro-6-methoxy-2,3-dihydro-1H-inden-1-yl)-2-(4-methyl-6-oxo-2-pyrrolidin-1-yl-1H-pyrimidin-5-yl)acetamide (CID 146122288) is N-(5-fluoro-6-methoxy-2,3-dihydro-1H-inden-1-yl)-2-(4-methyl-6-oxo-2-pyrrolidin-1-yl-1H-pyrimidin-5-yl)acetamide.

What is the SMILES notation for N-(5-fluoro-6-methoxy-2,3-dihydro-1H-inden-1-yl)-2-(4-methyl-6-oxo-2-pyrrolidin-1-yl-1H-pyrimidin-5-yl)acetamide?

The canonical SMILES for N-(5-fluoro-6-methoxy-2,3-dihydro-1H-inden-1-yl)-2-(4-methyl-6-oxo-2-pyrrolidin-1-yl-1H-pyrimidin-5-yl)acetamide is COc1cc2c(cc1F)CCC2NC(=O)Cc1c(C)nc(N2CCCC2)[nH]c1=O.

What is the InChIKey of N-(5-fluoro-6-methoxy-2,3-dihydro-1H-inden-1-yl)-2-(4-methyl-6-oxo-2-pyrrolidin-1-yl-1H-pyrimidin-5-yl)acetamide?

The InChIKey is XXSDXBZOYKNGAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25FN4O3/c1-12-14(20(28)25-21(23-12)26-7-3-4-8-26)11-19(27)24-17-6-5-13-9-16(22)18(29-2)10-15(13)17/h9-10,17H,3-8,11H2,1-2H3,(H,24,27)(H,23,25,28).

What are the key properties of N-(5-fluoro-6-methoxy-2,3-dihydro-1H-inden-1-yl)-2-(4-methyl-6-oxo-2-pyrrolidin-1-yl-1H-pyrimidin-5-yl)acetamide?

N-(5-fluoro-6-methoxy-2,3-dihydro-1H-inden-1-yl)-2-(4-methyl-6-oxo-2-pyrrolidin-1-yl-1H-pyrimidin-5-yl)acetamide has a molecular weight of 400.45 g/mol, XLogP of 2.17, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-(5-fluoro-6-methoxy-2,3-dihydro-1H-inden-1-yl)-2-(4-methyl-6-oxo-2-pyrrolidin-1-yl-1H-pyrimidin-5-yl)acetamide is sourced from PubChem (CID 146122288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).