1-(2-chlorophenyl)-4-(2,2-difluoroethylamino)-7-(trifluoromethyl)pyrido[2,3-d]pyrimidin-2-one

C16H10ClF5N4O — CID 156514198

IUPAC1-(2-chlorophenyl)-4-(2,2-difluoroethylamino)-7-(trifluoromethyl)pyrido[2,3-d]pyrimidin-2-one
SMILESO=c1nc(NCC(F)F)c2ccc(C(F)(F)F)nc2n1-c1ccccc1Cl
InChIInChI=1S/C16H10ClF5N4O/c17-9-3-1-2-4-10(9)26-14-8(5-6-11(24-14)16(20,21)22)13(25-15(26)27)23-7-12(18)19/h1-6,12H,7H2,(H,23,25,27)
InChIKeyGLXUAFKOLJYOHZ-UHFFFAOYSA-N
MW404.73 g/mol
LogP4.13
Rot. Bonds4

About 1-(2-chlorophenyl)-4-(2,2-difluoroethylamino)-7-(trifluoromethyl)pyrido[2,3-d]pyrimidin-2-one

1-(2-chlorophenyl)-4-(2,2-difluoroethylamino)-7-(trifluoromethyl)pyrido[2,3-d]pyrimidin-2-one (PubChem CID 156514198) has the molecular formula C16H10ClF5N4O and a molecular weight of 404.73 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-4-(2,2-difluoroethylamino)-7-(trifluoromethyl)pyrido[2,3-d]pyrimidin-2-one.

Molecular Properties

Compound Name1-(2-chlorophenyl)-4-(2,2-difluoroethylamino)-7-(trifluoromethyl)pyrido[2,3-d]pyrimidin-2-one
PubChem CID156514198
Molecular FormulaC16H10ClF5N4O
Molecular Weight404.73 g/mol
Exact Mass404.05
IUPAC Name1-(2-chlorophenyl)-4-(2,2-difluoroethylamino)-7-(trifluoromethyl)pyrido[2,3-d]pyrimidin-2-one
SMILESO=c1nc(NCC(F)F)c2ccc(C(F)(F)F)nc2n1-c1ccccc1Cl
InChIInChI=1S/C16H10ClF5N4O/c17-9-3-1-2-4-10(9)26-14-8(5-6-11(24-14)16(20,21)22)13(25-15(26)27)23-7-12(18)19/h1-6,12H,7H2,(H,23,25,27)
InChIKeyGLXUAFKOLJYOHZ-UHFFFAOYSA-N
XLogP4.13
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.73
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-4-(2,2-difluoroethylamino)-7-(trifluoromethyl)pyrido[2,3-d]pyrimidin-2-one?
The IUPAC name of 1-(2-chlorophenyl)-4-(2,2-difluoroethylamino)-7-(trifluoromethyl)pyrido[2,3-d]pyrimidin-2-one (CID 156514198) is 1-(2-chlorophenyl)-4-(2,2-difluoroethylamino)-7-(trifluoromethyl)pyrido[2,3-d]pyrimidin-2-one.
What is the SMILES notation for 1-(2-chlorophenyl)-4-(2,2-difluoroethylamino)-7-(trifluoromethyl)pyrido[2,3-d]pyrimidin-2-one?
The canonical SMILES for 1-(2-chlorophenyl)-4-(2,2-difluoroethylamino)-7-(trifluoromethyl)pyrido[2,3-d]pyrimidin-2-one is O=c1nc(NCC(F)F)c2ccc(C(F)(F)F)nc2n1-c1ccccc1Cl.
What is the InChIKey of 1-(2-chlorophenyl)-4-(2,2-difluoroethylamino)-7-(trifluoromethyl)pyrido[2,3-d]pyrimidin-2-one?
The InChIKey is GLXUAFKOLJYOHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10ClF5N4O/c17-9-3-1-2-4-10(9)26-14-8(5-6-11(24-14)16(20,21)22)13(25-15(26)27)23-7-12(18)19/h1-6,12H,7H2,(H,23,25,27).
What are the key properties of 1-(2-chlorophenyl)-4-(2,2-difluoroethylamino)-7-(trifluoromethyl)pyrido[2,3-d]pyrimidin-2-one?
1-(2-chlorophenyl)-4-(2,2-difluoroethylamino)-7-(trifluoromethyl)pyrido[2,3-d]pyrimidin-2-one has a molecular weight of 404.73 g/mol, XLogP of 4.13, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-4-(2,2-difluoroethylamino)-7-(trifluoromethyl)pyrido[2,3-d]pyrimidin-2-one is sourced from PubChem (CID 156514198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).