4-[4-[2-[2-(dimethylamino)ethylamino]-1-[3-(trifluoromethyl)phenyl]ethyl]piperazin-1-yl]-7,8-dihydro-5H-pyrido[2,3-d]pyrimidin-6-one

C24H32F3N7O — CID 153089859

IUPAC4-[4-[2-[2-(dimethylamino)ethylamino]-1-[3-(trifluoromethyl)phenyl]ethyl]piperazin-1-yl]-7,8-dihydro-5H-pyrido[2,3-d]pyrimidin-6-one
SMILESCN(C)CCNCC(c1cccc(C(F)(F)F)c1)N1CCN(c2ncnc3c2CC(=O)CN3)CC1
InChIInChI=1S/C24H32F3N7O/c1-32(2)7-6-28-15-21(17-4-3-5-18(12-17)24(25,26)27)33-8-10-34(11-9-33)23-20-13-19(35)14-29-22(20)30-16-31-23/h3-5,12,16,21,28H,6-11,13-15H2,1-2H3,(H,29,30,31)
InChIKeyVOYHLAXBDXOEKB-UHFFFAOYSA-N
MW491.56 g/mol
LogP2.05
Rot. Bonds8

About 4-[4-[2-[2-(dimethylamino)ethylamino]-1-[3-(trifluoromethyl)phenyl]ethyl]piperazin-1-yl]-7,8-dihydro-5H-pyrido[2,3-d]pyrimidin-6-one

4-[4-[2-[2-(dimethylamino)ethylamino]-1-[3-(trifluoromethyl)phenyl]ethyl]piperazin-1-yl]-7,8-dihydro-5H-pyrido[2,3-d]pyrimidin-6-one (PubChem CID 153089859) has the molecular formula C24H32F3N7O and a molecular weight of 491.56 g/mol. Its IUPAC name is 4-[4-[2-[2-(dimethylamino)ethylamino]-1-[3-(trifluoromethyl)phenyl]ethyl]piperazin-1-yl]-7,8-dihydro-5H-pyrido[2,3-d]pyrimidin-6-one.

Molecular Properties

Compound Name4-[4-[2-[2-(dimethylamino)ethylamino]-1-[3-(trifluoromethyl)phenyl]ethyl]piperazin-1-yl]-7,8-dihydro-5H-pyrido[2,3-d]pyrimidin-6-one
PubChem CID153089859
Molecular FormulaC24H32F3N7O
Molecular Weight491.56 g/mol
Exact Mass491.26
IUPAC Name4-[4-[2-[2-(dimethylamino)ethylamino]-1-[3-(trifluoromethyl)phenyl]ethyl]piperazin-1-yl]-7,8-dihydro-5H-pyrido[2,3-d]pyrimidin-6-one
SMILESCN(C)CCNCC(c1cccc(C(F)(F)F)c1)N1CCN(c2ncnc3c2CC(=O)CN3)CC1
InChIInChI=1S/C24H32F3N7O/c1-32(2)7-6-28-15-21(17-4-3-5-18(12-17)24(25,26)27)33-8-10-34(11-9-33)23-20-13-19(35)14-29-22(20)30-16-31-23/h3-5,12,16,21,28H,6-11,13-15H2,1-2H3,(H,29,30,31)
InChIKeyVOYHLAXBDXOEKB-UHFFFAOYSA-N
XLogP2.05
TPSA76.63 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.56
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 4-[4-[2-[2-(dimethylamino)ethylamino]-1-[3-(trifluoromethyl)phenyl]ethyl]piperazin-1-yl]-7,8-dihydro-5H-pyrido[2,3-d]pyrimidin-6-one 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-[4-[6-amino-5-(4-fluorophenyl)pyrimidin-4-yl]piperazin-1-yl]-N-[2-(dimethylamino)ethyl]-2-[4-(trifluoromethyl)phenyl]acetamide
CID 71516560
4-{4-[1-(4-trifluoro-phenyl)-2-(piperidin-yl)-ethyl]-piperazin-1-yl}-7,8-dihydro-5H-pteridin-6-one
CID 74766986
Dimethyl-[2-[4-(5,6,7,8-tetrahydro-pyrido[2,3-d]pyrimidin-4-yl)-piperazin-1-yl]-2-(4-trifluoromethyl-phenyl)-ethyl]-amine
CID 74767557
2-[4-(5,6,7,8-Tetrahydro-pyrido[2,3-d]pyrimidin-4-yl)-piperazin-1-yl]-2-(4-trifluoromethyl-phenyl)-ethylamine
CID 74767630
{2-(3-Fluoro-4-trifluoromethyl-phenyl)-2-[4-(5,6,7,8-tetrahydro-pyrido[2,3-d]pyrimidin-4-yl)-piperazin-1-yl]-ethyl}-dimethylamine
CID 74767712
2-(4-Fluoro-phenyl)-2-[4-(5,6,7,8-tetrahydro-pyrido[2,3-d]pyrimidin-4-yl)-piperazin-1-yl]-ethylamine
CID 74767715
4-{4-[2-dimethylamino-1-(4-trifluoromethyl-phenyl)-ethyl]-piperazin-1-yl}-7,8-dihydro-5H-pteridin-6-one
CID 74767801
1-[(3R)-1-(6-amino-5-fluoropyrimidin-4-yl)piperidin-3-yl]-3-[3,5-bis(trifluoromethyl)anilino]piperidin-2-one
CID 87243862
US11168102, Example 21-2.
CID 156352688
US11168102, Example 29-3.
CID 156352765
US11168102, Example 1-4.
CID 156352887
US11168102, Example 1-14.
CID 156352914

Frequently Asked Questions

What is the IUPAC name of 4-[4-[2-[2-(dimethylamino)ethylamino]-1-[3-(trifluoromethyl)phenyl]ethyl]piperazin-1-yl]-7,8-dihydro-5H-pyrido[2,3-d]pyrimidin-6-one?
The IUPAC name of 4-[4-[2-[2-(dimethylamino)ethylamino]-1-[3-(trifluoromethyl)phenyl]ethyl]piperazin-1-yl]-7,8-dihydro-5H-pyrido[2,3-d]pyrimidin-6-one (CID 153089859) is 4-[4-[2-[2-(dimethylamino)ethylamino]-1-[3-(trifluoromethyl)phenyl]ethyl]piperazin-1-yl]-7,8-dihydro-5H-pyrido[2,3-d]pyrimidin-6-one.
What is the SMILES notation for 4-[4-[2-[2-(dimethylamino)ethylamino]-1-[3-(trifluoromethyl)phenyl]ethyl]piperazin-1-yl]-7,8-dihydro-5H-pyrido[2,3-d]pyrimidin-6-one?
The canonical SMILES for 4-[4-[2-[2-(dimethylamino)ethylamino]-1-[3-(trifluoromethyl)phenyl]ethyl]piperazin-1-yl]-7,8-dihydro-5H-pyrido[2,3-d]pyrimidin-6-one is CN(C)CCNCC(c1cccc(C(F)(F)F)c1)N1CCN(c2ncnc3c2CC(=O)CN3)CC1.
What is the InChIKey of 4-[4-[2-[2-(dimethylamino)ethylamino]-1-[3-(trifluoromethyl)phenyl]ethyl]piperazin-1-yl]-7,8-dihydro-5H-pyrido[2,3-d]pyrimidin-6-one?
The InChIKey is VOYHLAXBDXOEKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32F3N7O/c1-32(2)7-6-28-15-21(17-4-3-5-18(12-17)24(25,26)27)33-8-10-34(11-9-33)23-20-13-19(35)14-29-22(20)30-16-31-23/h3-5,12,16,21,28H,6-11,13-15H2,1-2H3,(H,29,30,31).
What are the key properties of 4-[4-[2-[2-(dimethylamino)ethylamino]-1-[3-(trifluoromethyl)phenyl]ethyl]piperazin-1-yl]-7,8-dihydro-5H-pyrido[2,3-d]pyrimidin-6-one?
4-[4-[2-[2-(dimethylamino)ethylamino]-1-[3-(trifluoromethyl)phenyl]ethyl]piperazin-1-yl]-7,8-dihydro-5H-pyrido[2,3-d]pyrimidin-6-one has a molecular weight of 491.56 g/mol, XLogP of 2.05, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[2-[2-(dimethylamino)ethylamino]-1-[3-(trifluoromethyl)phenyl]ethyl]piperazin-1-yl]-7,8-dihydro-5H-pyrido[2,3-d]pyrimidin-6-one is sourced from PubChem (CID 153089859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).