2-[(1,3-dimethyl-7-morpholin-4-yl-2,4-dioxopyrido[2,3-d]pyrimidin-5-yl)amino]-N-[3-(trifluoromethyl)phenyl]acetamide

C22H23F3N6O4 — CID 164519540

IUPAC2-[(1,3-dimethyl-7-morpholin-4-yl-2,4-dioxopyrido[2,3-d]pyrimidin-5-yl)amino]-N-[3-(trifluoromethyl)phenyl]acetamide
SMILESCn1c(=O)c2c(NCC(=O)Nc3cccc(C(F)(F)F)c3)cc(N3CCOCC3)nc2n(C)c1=O
InChIInChI=1S/C22H23F3N6O4/c1-29-19-18(20(33)30(2)21(29)34)15(11-16(28-19)31-6-8-35-9-7-31)26-12-17(32)27-14-5-3-4-13(10-14)22(23,24)25/h3-5,10-11H,6-9,12H2,1-2H3,(H,26,28)(H,27,32)
InChIKeyWURIHOGLZDALLK-UHFFFAOYSA-N
MW492.46 g/mol
LogP1.54
Rot. Bonds5

About 2-[(1,3-dimethyl-7-morpholin-4-yl-2,4-dioxopyrido[2,3-d]pyrimidin-5-yl)amino]-N-[3-(trifluoromethyl)phenyl]acetamide

2-[(1,3-dimethyl-7-morpholin-4-yl-2,4-dioxopyrido[2,3-d]pyrimidin-5-yl)amino]-N-[3-(trifluoromethyl)phenyl]acetamide (PubChem CID 164519540) has the molecular formula C22H23F3N6O4 and a molecular weight of 492.46 g/mol. Its IUPAC name is 2-[(1,3-dimethyl-7-morpholin-4-yl-2,4-dioxopyrido[2,3-d]pyrimidin-5-yl)amino]-N-[3-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-[(1,3-dimethyl-7-morpholin-4-yl-2,4-dioxopyrido[2,3-d]pyrimidin-5-yl)amino]-N-[3-(trifluoromethyl)phenyl]acetamide
PubChem CID164519540
Molecular FormulaC22H23F3N6O4
Molecular Weight492.46 g/mol
Exact Mass492.17
IUPAC Name2-[(1,3-dimethyl-7-morpholin-4-yl-2,4-dioxopyrido[2,3-d]pyrimidin-5-yl)amino]-N-[3-(trifluoromethyl)phenyl]acetamide
SMILESCn1c(=O)c2c(NCC(=O)Nc3cccc(C(F)(F)F)c3)cc(N3CCOCC3)nc2n(C)c1=O
InChIInChI=1S/C22H23F3N6O4/c1-29-19-18(20(33)30(2)21(29)34)15(11-16(28-19)31-6-8-35-9-7-31)26-12-17(32)27-14-5-3-4-13(10-14)22(23,24)25/h3-5,10-11H,6-9,12H2,1-2H3,(H,26,28)(H,27,32)
InChIKeyWURIHOGLZDALLK-UHFFFAOYSA-N
XLogP1.54
TPSA110.49 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.46
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 2-[(1,3-dimethyl-7-morpholin-4-yl-2,4-dioxopyrido[2,3-d]pyrimidin-5-yl)amino]-N-[3-(trifluoromethyl)phenyl]acetamide 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 2-[(1,3-dimethyl-7-morpholin-4-yl-2,4-dioxopyrido[2,3-d]pyrimidin-5-yl)amino]-N-[3-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of 2-[(1,3-dimethyl-7-morpholin-4-yl-2,4-dioxopyrido[2,3-d]pyrimidin-5-yl)amino]-N-[3-(trifluoromethyl)phenyl]acetamide (CID 164519540) is 2-[(1,3-dimethyl-7-morpholin-4-yl-2,4-dioxopyrido[2,3-d]pyrimidin-5-yl)amino]-N-[3-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for 2-[(1,3-dimethyl-7-morpholin-4-yl-2,4-dioxopyrido[2,3-d]pyrimidin-5-yl)amino]-N-[3-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for 2-[(1,3-dimethyl-7-morpholin-4-yl-2,4-dioxopyrido[2,3-d]pyrimidin-5-yl)amino]-N-[3-(trifluoromethyl)phenyl]acetamide is Cn1c(=O)c2c(NCC(=O)Nc3cccc(C(F)(F)F)c3)cc(N3CCOCC3)nc2n(C)c1=O.
What is the InChIKey of 2-[(1,3-dimethyl-7-morpholin-4-yl-2,4-dioxopyrido[2,3-d]pyrimidin-5-yl)amino]-N-[3-(trifluoromethyl)phenyl]acetamide?
The InChIKey is WURIHOGLZDALLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23F3N6O4/c1-29-19-18(20(33)30(2)21(29)34)15(11-16(28-19)31-6-8-35-9-7-31)26-12-17(32)27-14-5-3-4-13(10-14)22(23,24)25/h3-5,10-11H,6-9,12H2,1-2H3,(H,26,28)(H,27,32).
What are the key properties of 2-[(1,3-dimethyl-7-morpholin-4-yl-2,4-dioxopyrido[2,3-d]pyrimidin-5-yl)amino]-N-[3-(trifluoromethyl)phenyl]acetamide?
2-[(1,3-dimethyl-7-morpholin-4-yl-2,4-dioxopyrido[2,3-d]pyrimidin-5-yl)amino]-N-[3-(trifluoromethyl)phenyl]acetamide has a molecular weight of 492.46 g/mol, XLogP of 1.54, 5 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1,3-dimethyl-7-morpholin-4-yl-2,4-dioxopyrido[2,3-d]pyrimidin-5-yl)amino]-N-[3-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 164519540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).