6-[4-(4-acetyl-2-fluorophenyl)piperazine-1-carbonyl]-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione

C22H22FN5O4 — CID 30778324

IUPAC6-[4-(4-acetyl-2-fluorophenyl)piperazine-1-carbonyl]-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione
SMILESCC(=O)c1ccc(N2CCN(C(=O)c3cnc4c(c3)c(=O)n(C)c(=O)n4C)CC2)c(F)c1
InChIInChI=1S/C22H22FN5O4/c1-13(29)14-4-5-18(17(23)11-14)27-6-8-28(9-7-27)20(30)15-10-16-19(24-12-15)25(2)22(32)26(3)21(16)31/h4-5,10-12H,6-9H2,1-3H3
InChIKeyZLSVFFGZAIHGQE-UHFFFAOYSA-N
MW439.45 g/mol
LogP0.94
Rot. Bonds3

About 6-[4-(4-acetyl-2-fluorophenyl)piperazine-1-carbonyl]-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione

6-[4-(4-acetyl-2-fluorophenyl)piperazine-1-carbonyl]-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione (PubChem CID 30778324) has the molecular formula C22H22FN5O4 and a molecular weight of 439.45 g/mol. Its IUPAC name is 6-[4-(4-acetyl-2-fluorophenyl)piperazine-1-carbonyl]-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-[4-(4-acetyl-2-fluorophenyl)piperazine-1-carbonyl]-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione
PubChem CID30778324
Molecular FormulaC22H22FN5O4
Molecular Weight439.45 g/mol
Exact Mass439.17
IUPAC Name6-[4-(4-acetyl-2-fluorophenyl)piperazine-1-carbonyl]-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione
SMILESCC(=O)c1ccc(N2CCN(C(=O)c3cnc4c(c3)c(=O)n(C)c(=O)n4C)CC2)c(F)c1
InChIInChI=1S/C22H22FN5O4/c1-13(29)14-4-5-18(17(23)11-14)27-6-8-28(9-7-27)20(30)15-10-16-19(24-12-15)25(2)22(32)26(3)21(16)31/h4-5,10-12H,6-9H2,1-3H3
InChIKeyZLSVFFGZAIHGQE-UHFFFAOYSA-N
XLogP0.94
TPSA97.51 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.45
LogP ≤ 50.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 6-[4-(4-acetyl-2-fluorophenyl)piperazine-1-carbonyl]-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione with MolForge

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Related Compounds

1-[4-[4-(1,5-dimethylpyrrole-2-carbonyl)piperazin-1-yl]-3-fluorophenyl]ethanone
CID 31668550
1-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carbonyl)piperidine-4-carboxamide
CID 36525528
1-[3-fluoro-4-[4-(3-methylbenzoyl)piperazin-1-yl]phenyl]ethanone
CID 18098126
6-[4-(3,4-difluorobenzoyl)piperazine-1-carbonyl]-1-methylpyrido[2,3-d]pyrimidine-2,4-dione
CID 167771663
5-[2-[4-(4-acetyl-2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-1-methylpyrazolo[5,4-d]pyrimidin-4-one
CID 22110276
methyl 2-(4-chlorophenyl)-2-[4-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carbonyl)piperazin-1-yl]acetate
CID 43063801
1-[4-[4-(3-aminobenzoyl)piperazin-1-yl]-3-fluorophenyl]ethanone;dihydrochloride
CID 119836988
6-[4-(ethylaminomethyl)piperidine-1-carbonyl]-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione;dihydrochloride
CID 119644795
1,3-dimethyl-6-[4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperazine-1-carbonyl]pyrido[2,3-d]pyrimidine-2,4-dione
CID 30596881
1-[4-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]-3-fluorophenyl]ethanone
CID 599707
1-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carbonyl)pyrrolidine-2-carboxylic acid
CID 119355794
2-[4-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carbonyl)piperazin-1-yl]-N-(2,3-dimethylphenyl)acetamide
CID 30396646

Frequently Asked Questions

What is the IUPAC name of 6-[4-(4-acetyl-2-fluorophenyl)piperazine-1-carbonyl]-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione?
The IUPAC name of 6-[4-(4-acetyl-2-fluorophenyl)piperazine-1-carbonyl]-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione (CID 30778324) is 6-[4-(4-acetyl-2-fluorophenyl)piperazine-1-carbonyl]-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione.
What is the SMILES notation for 6-[4-(4-acetyl-2-fluorophenyl)piperazine-1-carbonyl]-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione?
The canonical SMILES for 6-[4-(4-acetyl-2-fluorophenyl)piperazine-1-carbonyl]-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione is CC(=O)c1ccc(N2CCN(C(=O)c3cnc4c(c3)c(=O)n(C)c(=O)n4C)CC2)c(F)c1.
What is the InChIKey of 6-[4-(4-acetyl-2-fluorophenyl)piperazine-1-carbonyl]-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione?
The InChIKey is ZLSVFFGZAIHGQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22FN5O4/c1-13(29)14-4-5-18(17(23)11-14)27-6-8-28(9-7-27)20(30)15-10-16-19(24-12-15)25(2)22(32)26(3)21(16)31/h4-5,10-12H,6-9H2,1-3H3.
What are the key properties of 6-[4-(4-acetyl-2-fluorophenyl)piperazine-1-carbonyl]-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione?
6-[4-(4-acetyl-2-fluorophenyl)piperazine-1-carbonyl]-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione has a molecular weight of 439.45 g/mol, XLogP of 0.94, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(4-acetyl-2-fluorophenyl)piperazine-1-carbonyl]-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione is sourced from PubChem (CID 30778324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).