2-[2-(3-chlorophenyl)-6-[3-(methylaminomethyl)-5-(trifluoromethyl)phenyl]-4-oxopyrido[2,3-d]pyrimidin-3-yl]-N-propan-2-ylacetamide

C27H25ClF3N5O2 — CID 25217700

IUPAC2-[2-(3-chlorophenyl)-6-[3-(methylaminomethyl)-5-(trifluoromethyl)phenyl]-4-oxopyrido[2,3-d]pyrimidin-3-yl]-N-propan-2-ylacetamide
SMILESCNCc1cc(-c2cnc3nc(-c4cccc(Cl)c4)n(CC(=O)NC(C)C)c(=O)c3c2)cc(C(F)(F)F)c1
InChIInChI=1S/C27H25ClF3N5O2/c1-15(2)34-23(37)14-36-25(17-5-4-6-21(28)10-17)35-24-22(26(36)38)11-19(13-33-24)18-7-16(12-32-3)8-20(9-18)27(29,30)31/h4-11,13,15,32H,12,14H2,1-3H3,(H,34,37)
InChIKeyAUWINUVVAZLULK-UHFFFAOYSA-N
MW543.98 g/mol
LogP5.04
Rot. Bonds7

About 2-[2-(3-chlorophenyl)-6-[3-(methylaminomethyl)-5-(trifluoromethyl)phenyl]-4-oxopyrido[2,3-d]pyrimidin-3-yl]-N-propan-2-ylacetamide

2-[2-(3-chlorophenyl)-6-[3-(methylaminomethyl)-5-(trifluoromethyl)phenyl]-4-oxopyrido[2,3-d]pyrimidin-3-yl]-N-propan-2-ylacetamide (PubChem CID 25217700) has the molecular formula C27H25ClF3N5O2 and a molecular weight of 543.98 g/mol. Its IUPAC name is 2-[2-(3-chlorophenyl)-6-[3-(methylaminomethyl)-5-(trifluoromethyl)phenyl]-4-oxopyrido[2,3-d]pyrimidin-3-yl]-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[2-(3-chlorophenyl)-6-[3-(methylaminomethyl)-5-(trifluoromethyl)phenyl]-4-oxopyrido[2,3-d]pyrimidin-3-yl]-N-propan-2-ylacetamide
PubChem CID25217700
Molecular FormulaC27H25ClF3N5O2
Molecular Weight543.98 g/mol
Exact Mass543.16
IUPAC Name2-[2-(3-chlorophenyl)-6-[3-(methylaminomethyl)-5-(trifluoromethyl)phenyl]-4-oxopyrido[2,3-d]pyrimidin-3-yl]-N-propan-2-ylacetamide
SMILESCNCc1cc(-c2cnc3nc(-c4cccc(Cl)c4)n(CC(=O)NC(C)C)c(=O)c3c2)cc(C(F)(F)F)c1
InChIInChI=1S/C27H25ClF3N5O2/c1-15(2)34-23(37)14-36-25(17-5-4-6-21(28)10-17)35-24-22(26(36)38)11-19(13-33-24)18-7-16(12-32-3)8-20(9-18)27(29,30)31/h4-11,13,15,32H,12,14H2,1-3H3,(H,34,37)
InChIKeyAUWINUVVAZLULK-UHFFFAOYSA-N
XLogP5.04
TPSA88.91 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500543.98
LogP ≤ 55.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-[2-(3-chlorophenyl)-6-[3-(methylaminomethyl)-5-(trifluoromethyl)phenyl]-4-oxopyrido[2,3-d]pyrimidin-3-yl]-N-propan-2-ylacetamide 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-[6-[3-chloro-5-[(dimethylamino)methyl]phenyl]-4-oxo-2-[3-(trifluoromethoxy)phenyl]pyrido[2,3-d]pyrimidin-3-yl]-N-propan-2-ylacetamide
CID 25218208
2-[6-[3-chloro-5-[(dimethylamino)methyl]phenyl]-2-(3-chloro-4-fluorophenyl)-4-oxopyrido[2,3-d]pyrimidin-3-yl]-N-propan-2-ylacetamide
CID 25216617
2-[6-[3-chloro-5-[(dimethylamino)methyl]phenyl]-2-(6-methoxy-2-pyridinyl)-4-oxopyrido[2,3-d]pyrimidin-3-yl]-N-propan-2-ylacetamide
CID 46892591
2-[6-[1-(cyclobutylmethyl)piperidin-4-yl]oxy-4-oxo-2-[3-(trifluoromethyl)phenyl]pyrido[2,3-d]pyrimidin-3-yl]-N-propan-2-ylacetamide
CID 25217348
2-[2-(4-chloro-3-methoxyphenyl)-6-[3-[(dimethylamino)methyl]-5-methoxyphenyl]-4-oxopyrido[2,3-d]pyrimidin-3-yl]-N-propan-2-ylacetamide
CID 25216483
2-[6-[3-[(dimethylamino)methyl]-5-methoxyphenyl]-2-(4-fluoro-3-methoxyphenyl)-4-oxopyrido[2,3-d]pyrimidin-3-yl]-N-propan-2-ylacetamide
CID 25218338
2-[6-[3-[(dimethylamino)methyl]-5-methoxyphenyl]-2-(6-methoxy-2-pyridinyl)-4-oxopyrido[2,3-d]pyrimidin-3-yl]-N-propan-2-ylacetamide
CID 46892592
2-[6-[2-fluoro-5-(methylaminomethyl)phenyl]-2-(3-methoxyphenyl)-4-oxoquinazolin-3-yl]-N-propan-2-ylacetamide
CID 59511782
2-[2-[3-chloro-5-(trifluoromethyl)phenyl]-4-oxo-6-(4-propan-2-yl-1,4-diazepan-1-yl)quinazolin-3-yl]-N-propan-2-ylacetamide
CID 59519036
2-[2-(3-chlorophenyl)-6-[3-(2-methylpyrrolidin-1-yl)propoxy]-4-oxoquinazolin-3-yl]-N-propan-2-ylacetamide
CID 68688604
2-[2-(3-chlorophenyl)-4-oxo-6-[2-(piperidin-1-ylmethyl)cyclopropyl]quinazolin-3-yl]-N-propan-2-ylacetamide
CID 118915232
2-[3-(4-chlorophenyl)-5-oxo-1-[2-oxo-2-[[3-(trifluoromethyl)phenyl]methylamino]ethyl]-1,2,4-triazol-4-yl]-N-propan-2-ylacetamide
CID 58012006

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-chlorophenyl)-6-[3-(methylaminomethyl)-5-(trifluoromethyl)phenyl]-4-oxopyrido[2,3-d]pyrimidin-3-yl]-N-propan-2-ylacetamide?
The IUPAC name of 2-[2-(3-chlorophenyl)-6-[3-(methylaminomethyl)-5-(trifluoromethyl)phenyl]-4-oxopyrido[2,3-d]pyrimidin-3-yl]-N-propan-2-ylacetamide (CID 25217700) is 2-[2-(3-chlorophenyl)-6-[3-(methylaminomethyl)-5-(trifluoromethyl)phenyl]-4-oxopyrido[2,3-d]pyrimidin-3-yl]-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[2-(3-chlorophenyl)-6-[3-(methylaminomethyl)-5-(trifluoromethyl)phenyl]-4-oxopyrido[2,3-d]pyrimidin-3-yl]-N-propan-2-ylacetamide?
The canonical SMILES for 2-[2-(3-chlorophenyl)-6-[3-(methylaminomethyl)-5-(trifluoromethyl)phenyl]-4-oxopyrido[2,3-d]pyrimidin-3-yl]-N-propan-2-ylacetamide is CNCc1cc(-c2cnc3nc(-c4cccc(Cl)c4)n(CC(=O)NC(C)C)c(=O)c3c2)cc(C(F)(F)F)c1.
What is the InChIKey of 2-[2-(3-chlorophenyl)-6-[3-(methylaminomethyl)-5-(trifluoromethyl)phenyl]-4-oxopyrido[2,3-d]pyrimidin-3-yl]-N-propan-2-ylacetamide?
The InChIKey is AUWINUVVAZLULK-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25ClF3N5O2/c1-15(2)34-23(37)14-36-25(17-5-4-6-21(28)10-17)35-24-22(26(36)38)11-19(13-33-24)18-7-16(12-32-3)8-20(9-18)27(29,30)31/h4-11,13,15,32H,12,14H2,1-3H3,(H,34,37).
What are the key properties of 2-[2-(3-chlorophenyl)-6-[3-(methylaminomethyl)-5-(trifluoromethyl)phenyl]-4-oxopyrido[2,3-d]pyrimidin-3-yl]-N-propan-2-ylacetamide?
2-[2-(3-chlorophenyl)-6-[3-(methylaminomethyl)-5-(trifluoromethyl)phenyl]-4-oxopyrido[2,3-d]pyrimidin-3-yl]-N-propan-2-ylacetamide has a molecular weight of 543.98 g/mol, XLogP of 5.04, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-chlorophenyl)-6-[3-(methylaminomethyl)-5-(trifluoromethyl)phenyl]-4-oxopyrido[2,3-d]pyrimidin-3-yl]-N-propan-2-ylacetamide is sourced from PubChem (CID 25217700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).