1-(2-chloro-6-fluorophenyl)-4-(methylamino)-7-(trifluoromethyl)pyrido[2,3-d]pyrimidin-2-one

C15H9ClF4N4O — CID 147808625

IUPAC1-(2-chloro-6-fluorophenyl)-4-(methylamino)-7-(trifluoromethyl)pyrido[2,3-d]pyrimidin-2-one
SMILESCNc1nc(=O)n(-c2c(F)cccc2Cl)c2nc(C(F)(F)F)ccc12
InChIInChI=1S/C15H9ClF4N4O/c1-21-12-7-5-6-10(15(18,19)20)22-13(7)24(14(25)23-12)11-8(16)3-2-4-9(11)17/h2-6H,1H3,(H,21,23,25)
InChIKeyHMXPRDLGXIASOB-UHFFFAOYSA-N
MW372.71 g/mol
LogP3.63
Rot. Bonds2

About 1-(2-chloro-6-fluorophenyl)-4-(methylamino)-7-(trifluoromethyl)pyrido[2,3-d]pyrimidin-2-one

1-(2-chloro-6-fluorophenyl)-4-(methylamino)-7-(trifluoromethyl)pyrido[2,3-d]pyrimidin-2-one (PubChem CID 147808625) has the molecular formula C15H9ClF4N4O and a molecular weight of 372.71 g/mol. Its IUPAC name is 1-(2-chloro-6-fluorophenyl)-4-(methylamino)-7-(trifluoromethyl)pyrido[2,3-d]pyrimidin-2-one.

Molecular Properties

Compound Name1-(2-chloro-6-fluorophenyl)-4-(methylamino)-7-(trifluoromethyl)pyrido[2,3-d]pyrimidin-2-one
PubChem CID147808625
Molecular FormulaC15H9ClF4N4O
Molecular Weight372.71 g/mol
Exact Mass372.04
IUPAC Name1-(2-chloro-6-fluorophenyl)-4-(methylamino)-7-(trifluoromethyl)pyrido[2,3-d]pyrimidin-2-one
SMILESCNc1nc(=O)n(-c2c(F)cccc2Cl)c2nc(C(F)(F)F)ccc12
InChIInChI=1S/C15H9ClF4N4O/c1-21-12-7-5-6-10(15(18,19)20)22-13(7)24(14(25)23-12)11-8(16)3-2-4-9(11)17/h2-6H,1H3,(H,21,23,25)
InChIKeyHMXPRDLGXIASOB-UHFFFAOYSA-N
XLogP3.63
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.71
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-(2-chloro-6-fluorophenyl)-4-(methylamino)-7-(trifluoromethyl)pyrido[2,3-d]pyrimidin-2-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

Mat2A-IN-9
CID 153608878
1-(2,6-Dichloro-phenyl)-6-(2,4-difluoro-benzylamino)-3,4-dihydro-1H-pyrido[3,2-d]pyrimidin-2-one
CID 44352280
2-((1-(2-Chlorophenyl)-2-oxo-7-(trifluoromethyl)-1,2-dihydropyrido[2,3-d]pyrimidin-4-yl)amino)acetamide
CID 146709930
1-(2-chlorophenyl)-4-morpholin-4-yl-7-(trifluoromethyl)pyrido[2,3-d]pyrimidin-2(1H)-one
CID 146966696
1-(2-chlorophenyl)-4-(methylamino)-7-(trifluoromethyl)pyrido[2,3-d]pyrimidin-2(1H)-one
CID 147416416
1-(2-chlorophenyl)-4-[(3-hydroxy-propyl)amino]-7-(trifluoromethyl)-pyrido[2,3-d]pyrimidin-2(1H)-one
CID 147493520
1-(2-chlorophenyl)-4-[(3-methoxy-propyl)amino]-7-(trifluoromethyl)-pyrido[2,3-d]pyrimidin-2(1H)-one
CID 148169320
1-(2-chlorophenyl)-4-((cyclopropyl-methypamino)-7-(trifluoromethyl)-pyrido[2,3-d]pyrimidin-2(1H)-one
CID 148514727
4-(Methylamino)-1-phenyl-7-(trifluoromethyl)pyrido[2,3-d]pyrimidin-2-one
CID 148686497
1-(2-chlorophenyl)-4-(pyrrolictin-1-yl)-7-(trifluoromethyl)pyrido[2,3-d]pyrimidin-2(1H)-one
CID 149227941
1-(2-chlorophenyl)-4-((2-methylpyridin-4-yl)amino)-7-(trifluoromethyl)-pyrido[2,3-d]pyrimidin-2(1H)-one
CID 149530632
7-ethyl-1-(2-fluorophenyl)-4-(methyl-amino)pyrido[2,3-d]pyrimidin-2(1H)-one
CID 152488318

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-6-fluorophenyl)-4-(methylamino)-7-(trifluoromethyl)pyrido[2,3-d]pyrimidin-2-one?
The IUPAC name of 1-(2-chloro-6-fluorophenyl)-4-(methylamino)-7-(trifluoromethyl)pyrido[2,3-d]pyrimidin-2-one (CID 147808625) is 1-(2-chloro-6-fluorophenyl)-4-(methylamino)-7-(trifluoromethyl)pyrido[2,3-d]pyrimidin-2-one.
What is the SMILES notation for 1-(2-chloro-6-fluorophenyl)-4-(methylamino)-7-(trifluoromethyl)pyrido[2,3-d]pyrimidin-2-one?
The canonical SMILES for 1-(2-chloro-6-fluorophenyl)-4-(methylamino)-7-(trifluoromethyl)pyrido[2,3-d]pyrimidin-2-one is CNc1nc(=O)n(-c2c(F)cccc2Cl)c2nc(C(F)(F)F)ccc12.
What is the InChIKey of 1-(2-chloro-6-fluorophenyl)-4-(methylamino)-7-(trifluoromethyl)pyrido[2,3-d]pyrimidin-2-one?
The InChIKey is HMXPRDLGXIASOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9ClF4N4O/c1-21-12-7-5-6-10(15(18,19)20)22-13(7)24(14(25)23-12)11-8(16)3-2-4-9(11)17/h2-6H,1H3,(H,21,23,25).
What are the key properties of 1-(2-chloro-6-fluorophenyl)-4-(methylamino)-7-(trifluoromethyl)pyrido[2,3-d]pyrimidin-2-one?
1-(2-chloro-6-fluorophenyl)-4-(methylamino)-7-(trifluoromethyl)pyrido[2,3-d]pyrimidin-2-one has a molecular weight of 372.71 g/mol, XLogP of 3.63, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-6-fluorophenyl)-4-(methylamino)-7-(trifluoromethyl)pyrido[2,3-d]pyrimidin-2-one is sourced from PubChem (CID 147808625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).