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

IUPACN-(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
SMILESCOc1cc2c(cc1F)CCC2NC(=O)Cc1c(C)nc(N2CCCC2)[nH]c1=O
InChIInChI=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)
InChIKeyXXSDXBZOYKNGAP-UHFFFAOYSA-N
MW400.45 g/mol
LogP2.17
Rot. Bonds5

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 NameN-(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 CID146122288
Molecular FormulaC21H25FN4O3
Molecular Weight400.45 g/mol
Exact Mass400.19
IUPAC NameN-(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
SMILESCOc1cc2c(cc1F)CCC2NC(=O)Cc1c(C)nc(N2CCCC2)[nH]c1=O
InChIInChI=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)
InChIKeyXXSDXBZOYKNGAP-UHFFFAOYSA-N
XLogP2.17
TPSA87.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.45
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 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 with MolForge

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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).