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

C17H11ClF4N4O — CID 156514203

IUPAC1-(2-chlorophenyl)-4-(3-fluoroazetidin-1-yl)-7-(trifluoromethyl)pyrido[2,3-d]pyrimidin-2-one
SMILESO=c1nc(N2CC(F)C2)c2ccc(C(F)(F)F)nc2n1-c1ccccc1Cl
InChIInChI=1S/C17H11ClF4N4O/c18-11-3-1-2-4-12(11)26-15-10(5-6-13(23-15)17(20,21)22)14(24-16(26)27)25-7-9(19)8-25/h1-6,9H,7-8H2
InChIKeyGHFAZERZZGNXFL-UHFFFAOYSA-N
MW398.75 g/mol
LogP3.61
Rot. Bonds2

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

1-(2-chlorophenyl)-4-(3-fluoroazetidin-1-yl)-7-(trifluoromethyl)pyrido[2,3-d]pyrimidin-2-one (PubChem CID 156514203) has the molecular formula C17H11ClF4N4O and a molecular weight of 398.75 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-4-(3-fluoroazetidin-1-yl)-7-(trifluoromethyl)pyrido[2,3-d]pyrimidin-2-one.

Molecular Properties

Compound Name1-(2-chlorophenyl)-4-(3-fluoroazetidin-1-yl)-7-(trifluoromethyl)pyrido[2,3-d]pyrimidin-2-one
PubChem CID156514203
Molecular FormulaC17H11ClF4N4O
Molecular Weight398.75 g/mol
Exact Mass398.06
IUPAC Name1-(2-chlorophenyl)-4-(3-fluoroazetidin-1-yl)-7-(trifluoromethyl)pyrido[2,3-d]pyrimidin-2-one
SMILESO=c1nc(N2CC(F)C2)c2ccc(C(F)(F)F)nc2n1-c1ccccc1Cl
InChIInChI=1S/C17H11ClF4N4O/c18-11-3-1-2-4-12(11)26-15-10(5-6-13(23-15)17(20,21)22)14(24-16(26)27)25-7-9(19)8-25/h1-6,9H,7-8H2
InChIKeyGHFAZERZZGNXFL-UHFFFAOYSA-N
XLogP3.61
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.75
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-4-(3-fluoroazetidin-1-yl)-7-(trifluoromethyl)pyrido[2,3-d]pyrimidin-2-one?
The IUPAC name of 1-(2-chlorophenyl)-4-(3-fluoroazetidin-1-yl)-7-(trifluoromethyl)pyrido[2,3-d]pyrimidin-2-one (CID 156514203) is 1-(2-chlorophenyl)-4-(3-fluoroazetidin-1-yl)-7-(trifluoromethyl)pyrido[2,3-d]pyrimidin-2-one.
What is the SMILES notation for 1-(2-chlorophenyl)-4-(3-fluoroazetidin-1-yl)-7-(trifluoromethyl)pyrido[2,3-d]pyrimidin-2-one?
The canonical SMILES for 1-(2-chlorophenyl)-4-(3-fluoroazetidin-1-yl)-7-(trifluoromethyl)pyrido[2,3-d]pyrimidin-2-one is O=c1nc(N2CC(F)C2)c2ccc(C(F)(F)F)nc2n1-c1ccccc1Cl.
What is the InChIKey of 1-(2-chlorophenyl)-4-(3-fluoroazetidin-1-yl)-7-(trifluoromethyl)pyrido[2,3-d]pyrimidin-2-one?
The InChIKey is GHFAZERZZGNXFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11ClF4N4O/c18-11-3-1-2-4-12(11)26-15-10(5-6-13(23-15)17(20,21)22)14(24-16(26)27)25-7-9(19)8-25/h1-6,9H,7-8H2.
What are the key properties of 1-(2-chlorophenyl)-4-(3-fluoroazetidin-1-yl)-7-(trifluoromethyl)pyrido[2,3-d]pyrimidin-2-one?
1-(2-chlorophenyl)-4-(3-fluoroazetidin-1-yl)-7-(trifluoromethyl)pyrido[2,3-d]pyrimidin-2-one has a molecular weight of 398.75 g/mol, XLogP of 3.61, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-4-(3-fluoroazetidin-1-yl)-7-(trifluoromethyl)pyrido[2,3-d]pyrimidin-2-one is sourced from PubChem (CID 156514203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).