1-(2,2-difluoroethylamino)-4-(2-methylphenyl)-6-(trifluoromethyl)pyrido[1,2-c]pyrimidin-3-one

C18H14F5N3O — CID 166065177

IUPAC1-(2,2-difluoroethylamino)-4-(2-methylphenyl)-6-(trifluoromethyl)pyrido[1,2-c]pyrimidin-3-one
SMILESCc1ccccc1-c1c(=O)nc(NCC(F)F)n2ccc(C(F)(F)F)cc12
InChIInChI=1S/C18H14F5N3O/c1-10-4-2-3-5-12(10)15-13-8-11(18(21,22)23)6-7-26(13)17(25-16(15)27)24-9-14(19)20/h2-8,14H,9H2,1H3,(H,24,25,27)
InChIKeyQWCRBEUUEPXBEM-UHFFFAOYSA-N
MW383.32 g/mol
LogP4.37
Rot. Bonds4

About 1-(2,2-difluoroethylamino)-4-(2-methylphenyl)-6-(trifluoromethyl)pyrido[1,2-c]pyrimidin-3-one

1-(2,2-difluoroethylamino)-4-(2-methylphenyl)-6-(trifluoromethyl)pyrido[1,2-c]pyrimidin-3-one (PubChem CID 166065177) has the molecular formula C18H14F5N3O and a molecular weight of 383.32 g/mol. Its IUPAC name is 1-(2,2-difluoroethylamino)-4-(2-methylphenyl)-6-(trifluoromethyl)pyrido[1,2-c]pyrimidin-3-one.

Molecular Properties

Compound Name1-(2,2-difluoroethylamino)-4-(2-methylphenyl)-6-(trifluoromethyl)pyrido[1,2-c]pyrimidin-3-one
PubChem CID166065177
Molecular FormulaC18H14F5N3O
Molecular Weight383.32 g/mol
Exact Mass383.11
IUPAC Name1-(2,2-difluoroethylamino)-4-(2-methylphenyl)-6-(trifluoromethyl)pyrido[1,2-c]pyrimidin-3-one
SMILESCc1ccccc1-c1c(=O)nc(NCC(F)F)n2ccc(C(F)(F)F)cc12
InChIInChI=1S/C18H14F5N3O/c1-10-4-2-3-5-12(10)15-13-8-11(18(21,22)23)6-7-26(13)17(25-16(15)27)24-9-14(19)20/h2-8,14H,9H2,1H3,(H,24,25,27)
InChIKeyQWCRBEUUEPXBEM-UHFFFAOYSA-N
XLogP4.37
TPSA46.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.32
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(2,2-difluoroethylamino)-4-(2-methylphenyl)-6-(trifluoromethyl)pyrido[1,2-c]pyrimidin-3-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 1-(2,2-difluoroethylamino)-4-(2-methylphenyl)-6-(trifluoromethyl)pyrido[1,2-c]pyrimidin-3-one?
The IUPAC name of 1-(2,2-difluoroethylamino)-4-(2-methylphenyl)-6-(trifluoromethyl)pyrido[1,2-c]pyrimidin-3-one (CID 166065177) is 1-(2,2-difluoroethylamino)-4-(2-methylphenyl)-6-(trifluoromethyl)pyrido[1,2-c]pyrimidin-3-one.
What is the SMILES notation for 1-(2,2-difluoroethylamino)-4-(2-methylphenyl)-6-(trifluoromethyl)pyrido[1,2-c]pyrimidin-3-one?
The canonical SMILES for 1-(2,2-difluoroethylamino)-4-(2-methylphenyl)-6-(trifluoromethyl)pyrido[1,2-c]pyrimidin-3-one is Cc1ccccc1-c1c(=O)nc(NCC(F)F)n2ccc(C(F)(F)F)cc12.
What is the InChIKey of 1-(2,2-difluoroethylamino)-4-(2-methylphenyl)-6-(trifluoromethyl)pyrido[1,2-c]pyrimidin-3-one?
The InChIKey is QWCRBEUUEPXBEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14F5N3O/c1-10-4-2-3-5-12(10)15-13-8-11(18(21,22)23)6-7-26(13)17(25-16(15)27)24-9-14(19)20/h2-8,14H,9H2,1H3,(H,24,25,27).
What are the key properties of 1-(2,2-difluoroethylamino)-4-(2-methylphenyl)-6-(trifluoromethyl)pyrido[1,2-c]pyrimidin-3-one?
1-(2,2-difluoroethylamino)-4-(2-methylphenyl)-6-(trifluoromethyl)pyrido[1,2-c]pyrimidin-3-one has a molecular weight of 383.32 g/mol, XLogP of 4.37, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-difluoroethylamino)-4-(2-methylphenyl)-6-(trifluoromethyl)pyrido[1,2-c]pyrimidin-3-one is sourced from PubChem (CID 166065177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).