7-[1-[3-(4-fluorophenyl)propanoyl]piperidin-2-yl]-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione

C23H25FN4O3 — CID 110267067

IUPAC7-[1-[3-(4-fluorophenyl)propanoyl]piperidin-2-yl]-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione
SMILESCn1c(=O)c2ccc(C3CCCCN3C(=O)CCc3ccc(F)cc3)nc2n(C)c1=O
InChIInChI=1S/C23H25FN4O3/c1-26-21-17(22(30)27(2)23(26)31)11-12-18(25-21)19-5-3-4-14-28(19)20(29)13-8-15-6-9-16(24)10-7-15/h6-7,9-12,19H,3-5,8,13-14H2,1-2H3
InChIKeyMQELZNJJDDSTRO-UHFFFAOYSA-N
MW424.48 g/mol
LogP2.46
Rot. Bonds4

About 7-[1-[3-(4-fluorophenyl)propanoyl]piperidin-2-yl]-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione

7-[1-[3-(4-fluorophenyl)propanoyl]piperidin-2-yl]-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione (PubChem CID 110267067) has the molecular formula C23H25FN4O3 and a molecular weight of 424.48 g/mol. Its IUPAC name is 7-[1-[3-(4-fluorophenyl)propanoyl]piperidin-2-yl]-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name7-[1-[3-(4-fluorophenyl)propanoyl]piperidin-2-yl]-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione
PubChem CID110267067
Molecular FormulaC23H25FN4O3
Molecular Weight424.48 g/mol
Exact Mass424.19
IUPAC Name7-[1-[3-(4-fluorophenyl)propanoyl]piperidin-2-yl]-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione
SMILESCn1c(=O)c2ccc(C3CCCCN3C(=O)CCc3ccc(F)cc3)nc2n(C)c1=O
InChIInChI=1S/C23H25FN4O3/c1-26-21-17(22(30)27(2)23(26)31)11-12-18(25-21)19-5-3-4-14-28(19)20(29)13-8-15-6-9-16(24)10-7-15/h6-7,9-12,19H,3-5,8,13-14H2,1-2H3
InChIKeyMQELZNJJDDSTRO-UHFFFAOYSA-N
XLogP2.46
TPSA77.20 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.48
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 7-[1-[3-(4-fluorophenyl)propanoyl]piperidin-2-yl]-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

7-[(2S)-1-[(4-fluorophenyl)methyl]piperidin-2-yl]-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione
CID 95834526
7-[(3S)-1-[3-(4-fluorophenyl)propanoyl]piperidin-3-yl]-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione
CID 92630847
7-[(2S)-1-(cyclopentanecarbonyl)piperidin-2-yl]-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione
CID 95834540
1-[(2R)-2-(4-amino-2-methylpyrido[2,3-d]pyrimidin-7-yl)piperidin-1-yl]-3-(4-fluorophenyl)propan-1-one
CID 95837288
7-[(2S)-1-(4-fluorophenyl)sulfonylpiperidin-2-yl]-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione
CID 95834530
7-[1-[2-(4-fluorophenyl)acetyl]piperidin-3-yl]-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione
CID 110264732
1,3-dimethyl-7-[1-(3-phenylpropanoyl)pyrrolidin-3-yl]pyrido[2,3-d]pyrimidine-2,4-dione
CID 127252066
1,3-dimethyl-7-[(2S)-1-(4-methyl-1,3-thiazole-5-carbonyl)piperidin-2-yl]pyrido[2,3-d]pyrimidine-2,4-dione
CID 95834547
7-[(3S)-1-[2-(4-fluorophenoxy)acetyl]pyrrolidin-3-yl]-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione
CID 125008178
3-(4-fluorophenyl)-1-[(2S)-2-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]propan-1-one
CID 125022280
1-[2-[6-[(4-fluorophenyl)methyl]-2-pyridinyl]pyrrolidin-1-yl]-3-(4-methoxyphenyl)propan-1-one
CID 110254562
1,3-dimethyl-7-(1-pyrrolidin-1-ylsulfonylpiperidin-2-yl)pyrido[2,3-d]pyrimidine-2,4-dione
CID 110264791

Frequently Asked Questions

What is the IUPAC name of 7-[1-[3-(4-fluorophenyl)propanoyl]piperidin-2-yl]-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione?
The IUPAC name of 7-[1-[3-(4-fluorophenyl)propanoyl]piperidin-2-yl]-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione (CID 110267067) is 7-[1-[3-(4-fluorophenyl)propanoyl]piperidin-2-yl]-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione.
What is the SMILES notation for 7-[1-[3-(4-fluorophenyl)propanoyl]piperidin-2-yl]-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione?
The canonical SMILES for 7-[1-[3-(4-fluorophenyl)propanoyl]piperidin-2-yl]-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione is Cn1c(=O)c2ccc(C3CCCCN3C(=O)CCc3ccc(F)cc3)nc2n(C)c1=O.
What is the InChIKey of 7-[1-[3-(4-fluorophenyl)propanoyl]piperidin-2-yl]-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione?
The InChIKey is MQELZNJJDDSTRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25FN4O3/c1-26-21-17(22(30)27(2)23(26)31)11-12-18(25-21)19-5-3-4-14-28(19)20(29)13-8-15-6-9-16(24)10-7-15/h6-7,9-12,19H,3-5,8,13-14H2,1-2H3.
What are the key properties of 7-[1-[3-(4-fluorophenyl)propanoyl]piperidin-2-yl]-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione?
7-[1-[3-(4-fluorophenyl)propanoyl]piperidin-2-yl]-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione has a molecular weight of 424.48 g/mol, XLogP of 2.46, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[1-[3-(4-fluorophenyl)propanoyl]piperidin-2-yl]-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione is sourced from PubChem (CID 110267067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).