2-(3,5-dimethylpiperidin-1-yl)-5-[2-(trifluoromethyl)phenyl]-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione

C21H23F3N4O2 — CID 135637799

IUPAC2-(3,5-dimethylpiperidin-1-yl)-5-[2-(trifluoromethyl)phenyl]-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione
SMILESCC1CC(C)CN(c2nc3c(c(=O)[nH]2)C(c2ccccc2C(F)(F)F)CC(=O)N3)C1
InChIInChI=1S/C21H23F3N4O2/c1-11-7-12(2)10-28(9-11)20-26-18-17(19(30)27-20)14(8-16(29)25-18)13-5-3-4-6-15(13)21(22,23)24/h3-6,11-12,14H,7-10H2,1-2H3,(H2,25,26,27,29,30)
InChIKeyDVLLRSHFPIBUDS-UHFFFAOYSA-N
MW420.44 g/mol
LogP3.75
Rot. Bonds2

About 2-(3,5-dimethylpiperidin-1-yl)-5-[2-(trifluoromethyl)phenyl]-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione

2-(3,5-dimethylpiperidin-1-yl)-5-[2-(trifluoromethyl)phenyl]-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione (PubChem CID 135637799) has the molecular formula C21H23F3N4O2 and a molecular weight of 420.44 g/mol. Its IUPAC name is 2-(3,5-dimethylpiperidin-1-yl)-5-[2-(trifluoromethyl)phenyl]-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione.

Molecular Properties

Compound Name2-(3,5-dimethylpiperidin-1-yl)-5-[2-(trifluoromethyl)phenyl]-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione
PubChem CID135637799
Molecular FormulaC21H23F3N4O2
Molecular Weight420.44 g/mol
Exact Mass420.18
IUPAC Name2-(3,5-dimethylpiperidin-1-yl)-5-[2-(trifluoromethyl)phenyl]-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione
SMILESCC1CC(C)CN(c2nc3c(c(=O)[nH]2)C(c2ccccc2C(F)(F)F)CC(=O)N3)C1
InChIInChI=1S/C21H23F3N4O2/c1-11-7-12(2)10-28(9-11)20-26-18-17(19(30)27-20)14(8-16(29)25-18)13-5-3-4-6-15(13)21(22,23)24/h3-6,11-12,14H,7-10H2,1-2H3,(H2,25,26,27,29,30)
InChIKeyDVLLRSHFPIBUDS-UHFFFAOYSA-N
XLogP3.75
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.44
LogP ≤ 53.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-(3,5-dimethylpiperidin-1-yl)-5-[2-(trifluoromethyl)phenyl]-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-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

2-(3,5-dimethylpiperidin-1-yl)-5-(2-nitrophenyl)-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione
CID 135637801
(5R)-2-propylsulfanyl-5-[2-(trifluoromethyl)phenyl]-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione
CID 135557338
5-(2-chlorophenyl)-2-pyrrolidin-1-yl-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione
CID 135637843
2-(4-ethylpiperazin-1-yl)-5-(2-fluorophenyl)-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione
CID 135637712
(5S)-5-(2-methoxyphenyl)-2-piperidin-1-yl-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione
CID 137222397
2-(4-methylpiperazin-1-yl)-5-naphthalen-1-yl-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione
CID 135637709
2-(3,5-dimethylpiperidin-1-yl)-4,7-dioxo-N-[3-(trifluoromethoxy)phenyl]-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-5-carboxamide
CID 135994008
(5S)-5-(2-nitrophenyl)-2-piperidin-1-yl-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione
CID 137222389
(5R)-N-(3,4-dimethylphenyl)-2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-4,7-dioxo-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-5-carboxamide
CID 136742675
(5R)-N-(3,4-dimethylphenyl)-2-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-4,7-dioxo-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-5-carboxamide
CID 136875397
5-(2,3-dimethoxyphenyl)-2-thiomorpholin-4-yl-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione
CID 135637833
(5R)-N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[(3R)-3-methylpiperidin-1-yl]-4,7-dioxo-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-5-carboxamide
CID 137027988

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethylpiperidin-1-yl)-5-[2-(trifluoromethyl)phenyl]-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione?
The IUPAC name of 2-(3,5-dimethylpiperidin-1-yl)-5-[2-(trifluoromethyl)phenyl]-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione (CID 135637799) is 2-(3,5-dimethylpiperidin-1-yl)-5-[2-(trifluoromethyl)phenyl]-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione.
What is the SMILES notation for 2-(3,5-dimethylpiperidin-1-yl)-5-[2-(trifluoromethyl)phenyl]-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione?
The canonical SMILES for 2-(3,5-dimethylpiperidin-1-yl)-5-[2-(trifluoromethyl)phenyl]-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione is CC1CC(C)CN(c2nc3c(c(=O)[nH]2)C(c2ccccc2C(F)(F)F)CC(=O)N3)C1.
What is the InChIKey of 2-(3,5-dimethylpiperidin-1-yl)-5-[2-(trifluoromethyl)phenyl]-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione?
The InChIKey is DVLLRSHFPIBUDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23F3N4O2/c1-11-7-12(2)10-28(9-11)20-26-18-17(19(30)27-20)14(8-16(29)25-18)13-5-3-4-6-15(13)21(22,23)24/h3-6,11-12,14H,7-10H2,1-2H3,(H2,25,26,27,29,30).
What are the key properties of 2-(3,5-dimethylpiperidin-1-yl)-5-[2-(trifluoromethyl)phenyl]-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione?
2-(3,5-dimethylpiperidin-1-yl)-5-[2-(trifluoromethyl)phenyl]-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione has a molecular weight of 420.44 g/mol, XLogP of 3.75, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethylpiperidin-1-yl)-5-[2-(trifluoromethyl)phenyl]-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione is sourced from PubChem (CID 135637799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).