8-cyclopentyl-6-[4-(3-methylimidazol-4-yl)-2-(trifluoromethyl)phenyl]-2-[4-(4-methylmorpholin-2-yl)anilino]pyrido[2,3-d]pyrimidin-7-one

C34H34F3N7O2 — CID 90213078

IUPAC8-cyclopentyl-6-[4-(3-methylimidazol-4-yl)-2-(trifluoromethyl)phenyl]-2-[4-(4-methylmorpholin-2-yl)anilino]pyrido[2,3-d]pyrimidin-7-one
SMILESCN1CCOC(c2ccc(Nc3ncc4cc(-c5ccc(-c6cncn6C)cc5C(F)(F)F)c(=O)n(C5CCCC5)c4n3)cc2)C1
InChIInChI=1S/C34H34F3N7O2/c1-42-13-14-46-30(19-42)21-7-10-24(11-8-21)40-33-39-17-23-15-27(32(45)44(31(23)41-33)25-5-3-4-6-25)26-12-9-22(16-28(26)34(35,36)37)29-18-38-20-43(29)2/h7-12,15-18,20,25,30H,3-6,13-14,19H2,1-2H3,(H,39,40,41)
InChIKeyLMUJNEGFDGLOIA-UHFFFAOYSA-N
MW629.69 g/mol
LogP6.74
Rot. Bonds6

About 8-cyclopentyl-6-[4-(3-methylimidazol-4-yl)-2-(trifluoromethyl)phenyl]-2-[4-(4-methylmorpholin-2-yl)anilino]pyrido[2,3-d]pyrimidin-7-one

8-cyclopentyl-6-[4-(3-methylimidazol-4-yl)-2-(trifluoromethyl)phenyl]-2-[4-(4-methylmorpholin-2-yl)anilino]pyrido[2,3-d]pyrimidin-7-one (PubChem CID 90213078) has the molecular formula C34H34F3N7O2 and a molecular weight of 629.69 g/mol. Its IUPAC name is 8-cyclopentyl-6-[4-(3-methylimidazol-4-yl)-2-(trifluoromethyl)phenyl]-2-[4-(4-methylmorpholin-2-yl)anilino]pyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name8-cyclopentyl-6-[4-(3-methylimidazol-4-yl)-2-(trifluoromethyl)phenyl]-2-[4-(4-methylmorpholin-2-yl)anilino]pyrido[2,3-d]pyrimidin-7-one
PubChem CID90213078
Molecular FormulaC34H34F3N7O2
Molecular Weight629.69 g/mol
Exact Mass629.27
IUPAC Name8-cyclopentyl-6-[4-(3-methylimidazol-4-yl)-2-(trifluoromethyl)phenyl]-2-[4-(4-methylmorpholin-2-yl)anilino]pyrido[2,3-d]pyrimidin-7-one
SMILESCN1CCOC(c2ccc(Nc3ncc4cc(-c5ccc(-c6cncn6C)cc5C(F)(F)F)c(=O)n(C5CCCC5)c4n3)cc2)C1
InChIInChI=1S/C34H34F3N7O2/c1-42-13-14-46-30(19-42)21-7-10-24(11-8-21)40-33-39-17-23-15-27(32(45)44(31(23)41-33)25-5-3-4-6-25)26-12-9-22(16-28(26)34(35,36)37)29-18-38-20-43(29)2/h7-12,15-18,20,25,30H,3-6,13-14,19H2,1-2H3,(H,39,40,41)
InChIKeyLMUJNEGFDGLOIA-UHFFFAOYSA-N
XLogP6.74
TPSA90.10 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500629.69
LogP ≤ 56.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 8-cyclopentyl-6-[4-(3-methylimidazol-4-yl)-2-(trifluoromethyl)phenyl]-2-[4-(4-methylmorpholin-2-yl)anilino]pyrido[2,3-d]pyrimidin-7-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 8-cyclopentyl-6-[4-(3-methylimidazol-4-yl)-2-(trifluoromethyl)phenyl]-2-[4-(4-methylmorpholin-2-yl)anilino]pyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 8-cyclopentyl-6-[4-(3-methylimidazol-4-yl)-2-(trifluoromethyl)phenyl]-2-[4-(4-methylmorpholin-2-yl)anilino]pyrido[2,3-d]pyrimidin-7-one (CID 90213078) is 8-cyclopentyl-6-[4-(3-methylimidazol-4-yl)-2-(trifluoromethyl)phenyl]-2-[4-(4-methylmorpholin-2-yl)anilino]pyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 8-cyclopentyl-6-[4-(3-methylimidazol-4-yl)-2-(trifluoromethyl)phenyl]-2-[4-(4-methylmorpholin-2-yl)anilino]pyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 8-cyclopentyl-6-[4-(3-methylimidazol-4-yl)-2-(trifluoromethyl)phenyl]-2-[4-(4-methylmorpholin-2-yl)anilino]pyrido[2,3-d]pyrimidin-7-one is CN1CCOC(c2ccc(Nc3ncc4cc(-c5ccc(-c6cncn6C)cc5C(F)(F)F)c(=O)n(C5CCCC5)c4n3)cc2)C1.
What is the InChIKey of 8-cyclopentyl-6-[4-(3-methylimidazol-4-yl)-2-(trifluoromethyl)phenyl]-2-[4-(4-methylmorpholin-2-yl)anilino]pyrido[2,3-d]pyrimidin-7-one?
The InChIKey is LMUJNEGFDGLOIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H34F3N7O2/c1-42-13-14-46-30(19-42)21-7-10-24(11-8-21)40-33-39-17-23-15-27(32(45)44(31(23)41-33)25-5-3-4-6-25)26-12-9-22(16-28(26)34(35,36)37)29-18-38-20-43(29)2/h7-12,15-18,20,25,30H,3-6,13-14,19H2,1-2H3,(H,39,40,41).
What are the key properties of 8-cyclopentyl-6-[4-(3-methylimidazol-4-yl)-2-(trifluoromethyl)phenyl]-2-[4-(4-methylmorpholin-2-yl)anilino]pyrido[2,3-d]pyrimidin-7-one?
8-cyclopentyl-6-[4-(3-methylimidazol-4-yl)-2-(trifluoromethyl)phenyl]-2-[4-(4-methylmorpholin-2-yl)anilino]pyrido[2,3-d]pyrimidin-7-one has a molecular weight of 629.69 g/mol, XLogP of 6.74, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 8-cyclopentyl-6-[4-(3-methylimidazol-4-yl)-2-(trifluoromethyl)phenyl]-2-[4-(4-methylmorpholin-2-yl)anilino]pyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 90213078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).