2-[6-[(4-fluorophenyl)methyl]-2-methyl-5,7-dioxopyrazolo[4,3-d]pyrimidin-4-yl]-N-propan-2-ylacetamide

C18H20FN5O3 — CID 20974676

IUPAC2-[6-[(4-fluorophenyl)methyl]-2-methyl-5,7-dioxopyrazolo[4,3-d]pyrimidin-4-yl]-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)Cn1c(=O)n(Cc2ccc(F)cc2)c(=O)c2nn(C)cc21
InChIInChI=1S/C18H20FN5O3/c1-11(2)20-15(25)10-23-14-9-22(3)21-16(14)17(26)24(18(23)27)8-12-4-6-13(19)7-5-12/h4-7,9,11H,8,10H2,1-3H3,(H,20,25)
InChIKeyQPLPLWFBXFAVPE-UHFFFAOYSA-N
MW373.39 g/mol
LogP0.61
Rot. Bonds5

About 2-[6-[(4-fluorophenyl)methyl]-2-methyl-5,7-dioxopyrazolo[4,3-d]pyrimidin-4-yl]-N-propan-2-ylacetamide

2-[6-[(4-fluorophenyl)methyl]-2-methyl-5,7-dioxopyrazolo[4,3-d]pyrimidin-4-yl]-N-propan-2-ylacetamide (PubChem CID 20974676) has the molecular formula C18H20FN5O3 and a molecular weight of 373.39 g/mol. Its IUPAC name is 2-[6-[(4-fluorophenyl)methyl]-2-methyl-5,7-dioxopyrazolo[4,3-d]pyrimidin-4-yl]-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[6-[(4-fluorophenyl)methyl]-2-methyl-5,7-dioxopyrazolo[4,3-d]pyrimidin-4-yl]-N-propan-2-ylacetamide
PubChem CID20974676
Molecular FormulaC18H20FN5O3
Molecular Weight373.39 g/mol
Exact Mass373.16
IUPAC Name2-[6-[(4-fluorophenyl)methyl]-2-methyl-5,7-dioxopyrazolo[4,3-d]pyrimidin-4-yl]-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)Cn1c(=O)n(Cc2ccc(F)cc2)c(=O)c2nn(C)cc21
InChIInChI=1S/C18H20FN5O3/c1-11(2)20-15(25)10-23-14-9-22(3)21-16(14)17(26)24(18(23)27)8-12-4-6-13(19)7-5-12/h4-7,9,11H,8,10H2,1-3H3,(H,20,25)
InChIKeyQPLPLWFBXFAVPE-UHFFFAOYSA-N
XLogP0.61
TPSA90.92 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.39
LogP ≤ 50.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(2,4-difluorophenyl)-2-[6-[(4-fluorophenyl)methyl]-2-methyl-5,7-dioxopyrazolo[4,3-d]pyrimidin-4-yl]acetamide
CID 20974665
N-(2-chlorophenyl)-2-[6-[(4-fluorophenyl)methyl]-2-methyl-5,7-dioxopyrazolo[4,3-d]pyrimidin-4-yl]acetamide
CID 22425354
N-(3-ethylphenyl)-2-[6-[(4-fluorophenyl)methyl]-2-methyl-5,7-dioxopyrazolo[4,3-d]pyrimidin-4-yl]acetamide
CID 20974667
N-(2-ethylphenyl)-2-[6-[(4-fluorophenyl)methyl]-2-methyl-5,7-dioxopyrazolo[4,3-d]pyrimidin-4-yl]acetamide
CID 20974657
2-[3-[(4-fluorophenyl)methyl]-2,4-dioxoquinazolin-1-yl]-N-propan-2-ylacetamide
CID 6502338
ethyl 4-[[2-[6-[(4-fluorophenyl)methyl]-2-methyl-5,7-dioxopyrazolo[4,3-d]pyrimidin-4-yl]acetyl]amino]benzoate
CID 20974653
2-[2-ethyl-6-[(4-fluorophenyl)methyl]-5,7-dioxopyrazolo[4,3-d]pyrimidin-4-yl]-N-(2-ethyl-6-methylphenyl)acetamide
CID 20974562
2-[3-[(4-fluorophenyl)methyl]-2,6-dioxopyrimidin-1-yl]-N-propan-2-ylacetamide
CID 50755241
2-[3-[(4-chlorophenyl)methyl]-2,4-dioxopyrido[3,2-d]pyrimidin-1-yl]-N-[(4-fluorophenyl)methyl]acetamide
CID 41240480
2-[3-[(4-fluorophenyl)methyl]-2,4-dioxopyrido[3,2-d]pyrimidin-1-yl]-N-(4-methylphenyl)acetamide
CID 27505531
N-cyclohexyl-2-[6-[(4-fluorophenyl)methyl]-5,7-dioxo-[1,2]thiazolo[4,3-d]pyrimidin-4-yl]acetamide
CID 53153067
11-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-8-[(4-fluorophenyl)methyl]-4-methyl-1,4,5,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-2,5,9-triene-7,12-dione
CID 50830372

Frequently Asked Questions

What is the IUPAC name of 2-[6-[(4-fluorophenyl)methyl]-2-methyl-5,7-dioxopyrazolo[4,3-d]pyrimidin-4-yl]-N-propan-2-ylacetamide?
The IUPAC name of 2-[6-[(4-fluorophenyl)methyl]-2-methyl-5,7-dioxopyrazolo[4,3-d]pyrimidin-4-yl]-N-propan-2-ylacetamide (CID 20974676) is 2-[6-[(4-fluorophenyl)methyl]-2-methyl-5,7-dioxopyrazolo[4,3-d]pyrimidin-4-yl]-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[6-[(4-fluorophenyl)methyl]-2-methyl-5,7-dioxopyrazolo[4,3-d]pyrimidin-4-yl]-N-propan-2-ylacetamide?
The canonical SMILES for 2-[6-[(4-fluorophenyl)methyl]-2-methyl-5,7-dioxopyrazolo[4,3-d]pyrimidin-4-yl]-N-propan-2-ylacetamide is CC(C)NC(=O)Cn1c(=O)n(Cc2ccc(F)cc2)c(=O)c2nn(C)cc21.
What is the InChIKey of 2-[6-[(4-fluorophenyl)methyl]-2-methyl-5,7-dioxopyrazolo[4,3-d]pyrimidin-4-yl]-N-propan-2-ylacetamide?
The InChIKey is QPLPLWFBXFAVPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FN5O3/c1-11(2)20-15(25)10-23-14-9-22(3)21-16(14)17(26)24(18(23)27)8-12-4-6-13(19)7-5-12/h4-7,9,11H,8,10H2,1-3H3,(H,20,25).
What are the key properties of 2-[6-[(4-fluorophenyl)methyl]-2-methyl-5,7-dioxopyrazolo[4,3-d]pyrimidin-4-yl]-N-propan-2-ylacetamide?
2-[6-[(4-fluorophenyl)methyl]-2-methyl-5,7-dioxopyrazolo[4,3-d]pyrimidin-4-yl]-N-propan-2-ylacetamide has a molecular weight of 373.39 g/mol, XLogP of 0.61, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-[(4-fluorophenyl)methyl]-2-methyl-5,7-dioxopyrazolo[4,3-d]pyrimidin-4-yl]-N-propan-2-ylacetamide is sourced from PubChem (CID 20974676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).