6-(4-methoxyphenyl)-2-(2,2,2-trifluoroethylamino)-8-[4-[1-(2-trimethylsilylethoxymethyl)-1,2,4-triazol-3-yl]phenyl]pyrido[2,3-d]pyrimidin-7-one

C30H32F3N7O3Si — CID 155732367

IUPAC6-(4-methoxyphenyl)-2-(2,2,2-trifluoroethylamino)-8-[4-[1-(2-trimethylsilylethoxymethyl)-1,2,4-triazol-3-yl]phenyl]pyrido[2,3-d]pyrimidin-7-one
SMILESCOc1ccc(-c2cc3cnc(NCC(F)(F)F)nc3n(-c3ccc(-c4ncn(COCC[Si](C)(C)C)n4)cc3)c2=O)cc1
InChIInChI=1S/C30H32F3N7O3Si/c1-42-24-11-7-20(8-12-24)25-15-22-16-34-29(35-17-30(31,32)33)37-27(22)40(28(25)41)23-9-5-21(6-10-23)26-36-18-39(38-26)19-43-13-14-44(2,3)4/h5-12,15-16,18H,13-14,17,19H2,1-4H3,(H,34,35,37)
InChIKeyISPMIYHXGBMBPO-UHFFFAOYSA-N
MW623.71 g/mol
LogP6.00
Rot. Bonds11

About 6-(4-methoxyphenyl)-2-(2,2,2-trifluoroethylamino)-8-[4-[1-(2-trimethylsilylethoxymethyl)-1,2,4-triazol-3-yl]phenyl]pyrido[2,3-d]pyrimidin-7-one

6-(4-methoxyphenyl)-2-(2,2,2-trifluoroethylamino)-8-[4-[1-(2-trimethylsilylethoxymethyl)-1,2,4-triazol-3-yl]phenyl]pyrido[2,3-d]pyrimidin-7-one (PubChem CID 155732367) has the molecular formula C30H32F3N7O3Si and a molecular weight of 623.71 g/mol. Its IUPAC name is 6-(4-methoxyphenyl)-2-(2,2,2-trifluoroethylamino)-8-[4-[1-(2-trimethylsilylethoxymethyl)-1,2,4-triazol-3-yl]phenyl]pyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name6-(4-methoxyphenyl)-2-(2,2,2-trifluoroethylamino)-8-[4-[1-(2-trimethylsilylethoxymethyl)-1,2,4-triazol-3-yl]phenyl]pyrido[2,3-d]pyrimidin-7-one
PubChem CID155732367
Molecular FormulaC30H32F3N7O3Si
Molecular Weight623.71 g/mol
Exact Mass623.23
IUPAC Name6-(4-methoxyphenyl)-2-(2,2,2-trifluoroethylamino)-8-[4-[1-(2-trimethylsilylethoxymethyl)-1,2,4-triazol-3-yl]phenyl]pyrido[2,3-d]pyrimidin-7-one
SMILESCOc1ccc(-c2cc3cnc(NCC(F)(F)F)nc3n(-c3ccc(-c4ncn(COCC[Si](C)(C)C)n4)cc3)c2=O)cc1
InChIInChI=1S/C30H32F3N7O3Si/c1-42-24-11-7-20(8-12-24)25-15-22-16-34-29(35-17-30(31,32)33)37-27(22)40(28(25)41)23-9-5-21(6-10-23)26-36-18-39(38-26)19-43-13-14-44(2,3)4/h5-12,15-16,18H,13-14,17,19H2,1-4H3,(H,34,35,37)
InChIKeyISPMIYHXGBMBPO-UHFFFAOYSA-N
XLogP6.00
TPSA108.98 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds11
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500623.71
LogP ≤ 56.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

Analyze 6-(4-methoxyphenyl)-2-(2,2,2-trifluoroethylamino)-8-[4-[1-(2-trimethylsilylethoxymethyl)-1,2,4-triazol-3-yl]phenyl]pyrido[2,3-d]pyrimidin-7-one with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-(4-methoxyphenyl)-2-(2,2,2-trifluoroethylamino)-8-[4-[1-(2-trimethylsilylethoxymethyl)-1,2,4-triazol-3-yl]phenyl]pyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 6-(4-methoxyphenyl)-2-(2,2,2-trifluoroethylamino)-8-[4-[1-(2-trimethylsilylethoxymethyl)-1,2,4-triazol-3-yl]phenyl]pyrido[2,3-d]pyrimidin-7-one (CID 155732367) is 6-(4-methoxyphenyl)-2-(2,2,2-trifluoroethylamino)-8-[4-[1-(2-trimethylsilylethoxymethyl)-1,2,4-triazol-3-yl]phenyl]pyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 6-(4-methoxyphenyl)-2-(2,2,2-trifluoroethylamino)-8-[4-[1-(2-trimethylsilylethoxymethyl)-1,2,4-triazol-3-yl]phenyl]pyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 6-(4-methoxyphenyl)-2-(2,2,2-trifluoroethylamino)-8-[4-[1-(2-trimethylsilylethoxymethyl)-1,2,4-triazol-3-yl]phenyl]pyrido[2,3-d]pyrimidin-7-one is COc1ccc(-c2cc3cnc(NCC(F)(F)F)nc3n(-c3ccc(-c4ncn(COCC[Si](C)(C)C)n4)cc3)c2=O)cc1.
What is the InChIKey of 6-(4-methoxyphenyl)-2-(2,2,2-trifluoroethylamino)-8-[4-[1-(2-trimethylsilylethoxymethyl)-1,2,4-triazol-3-yl]phenyl]pyrido[2,3-d]pyrimidin-7-one?
The InChIKey is ISPMIYHXGBMBPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H32F3N7O3Si/c1-42-24-11-7-20(8-12-24)25-15-22-16-34-29(35-17-30(31,32)33)37-27(22)40(28(25)41)23-9-5-21(6-10-23)26-36-18-39(38-26)19-43-13-14-44(2,3)4/h5-12,15-16,18H,13-14,17,19H2,1-4H3,(H,34,35,37).
What are the key properties of 6-(4-methoxyphenyl)-2-(2,2,2-trifluoroethylamino)-8-[4-[1-(2-trimethylsilylethoxymethyl)-1,2,4-triazol-3-yl]phenyl]pyrido[2,3-d]pyrimidin-7-one?
6-(4-methoxyphenyl)-2-(2,2,2-trifluoroethylamino)-8-[4-[1-(2-trimethylsilylethoxymethyl)-1,2,4-triazol-3-yl]phenyl]pyrido[2,3-d]pyrimidin-7-one has a molecular weight of 623.71 g/mol, XLogP of 6.00, 11 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-methoxyphenyl)-2-(2,2,2-trifluoroethylamino)-8-[4-[1-(2-trimethylsilylethoxymethyl)-1,2,4-triazol-3-yl]phenyl]pyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 155732367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).