4-amino-7-cyclopropyl-1-[2-(trifluoromethyl)phenyl]pyrido[2,3-d]pyrimidin-2-one

C17H13F3N4O — CID 162523776

IUPAC4-amino-7-cyclopropyl-1-[2-(trifluoromethyl)phenyl]pyrido[2,3-d]pyrimidin-2-one
SMILESNc1nc(=O)n(-c2ccccc2C(F)(F)F)c2nc(C3CC3)ccc12
InChIInChI=1S/C17H13F3N4O/c18-17(19,20)11-3-1-2-4-13(11)24-15-10(14(21)23-16(24)25)7-8-12(22-15)9-5-6-9/h1-4,7-9H,5-6H2,(H2,21,23,25)
InChIKeyRFXKJJYNSLJOKP-UHFFFAOYSA-N
MW346.31 g/mol
LogP3.26
Rot. Bonds2

About 4-amino-7-cyclopropyl-1-[2-(trifluoromethyl)phenyl]pyrido[2,3-d]pyrimidin-2-one

4-amino-7-cyclopropyl-1-[2-(trifluoromethyl)phenyl]pyrido[2,3-d]pyrimidin-2-one (PubChem CID 162523776) has the molecular formula C17H13F3N4O and a molecular weight of 346.31 g/mol. Its IUPAC name is 4-amino-7-cyclopropyl-1-[2-(trifluoromethyl)phenyl]pyrido[2,3-d]pyrimidin-2-one.

Molecular Properties

Compound Name4-amino-7-cyclopropyl-1-[2-(trifluoromethyl)phenyl]pyrido[2,3-d]pyrimidin-2-one
PubChem CID162523776
Molecular FormulaC17H13F3N4O
Molecular Weight346.31 g/mol
Exact Mass346.10
IUPAC Name4-amino-7-cyclopropyl-1-[2-(trifluoromethyl)phenyl]pyrido[2,3-d]pyrimidin-2-one
SMILESNc1nc(=O)n(-c2ccccc2C(F)(F)F)c2nc(C3CC3)ccc12
InChIInChI=1S/C17H13F3N4O/c18-17(19,20)11-3-1-2-4-13(11)24-15-10(14(21)23-16(24)25)7-8-12(22-15)9-5-6-9/h1-4,7-9H,5-6H2,(H2,21,23,25)
InChIKeyRFXKJJYNSLJOKP-UHFFFAOYSA-N
XLogP3.26
TPSA73.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.31
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-amino-7-cyclopropyl-1-[2-(trifluoromethyl)phenyl]pyrido[2,3-d]pyrimidin-2-one?
The IUPAC name of 4-amino-7-cyclopropyl-1-[2-(trifluoromethyl)phenyl]pyrido[2,3-d]pyrimidin-2-one (CID 162523776) is 4-amino-7-cyclopropyl-1-[2-(trifluoromethyl)phenyl]pyrido[2,3-d]pyrimidin-2-one.
What is the SMILES notation for 4-amino-7-cyclopropyl-1-[2-(trifluoromethyl)phenyl]pyrido[2,3-d]pyrimidin-2-one?
The canonical SMILES for 4-amino-7-cyclopropyl-1-[2-(trifluoromethyl)phenyl]pyrido[2,3-d]pyrimidin-2-one is Nc1nc(=O)n(-c2ccccc2C(F)(F)F)c2nc(C3CC3)ccc12.
What is the InChIKey of 4-amino-7-cyclopropyl-1-[2-(trifluoromethyl)phenyl]pyrido[2,3-d]pyrimidin-2-one?
The InChIKey is RFXKJJYNSLJOKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13F3N4O/c18-17(19,20)11-3-1-2-4-13(11)24-15-10(14(21)23-16(24)25)7-8-12(22-15)9-5-6-9/h1-4,7-9H,5-6H2,(H2,21,23,25).
What are the key properties of 4-amino-7-cyclopropyl-1-[2-(trifluoromethyl)phenyl]pyrido[2,3-d]pyrimidin-2-one?
4-amino-7-cyclopropyl-1-[2-(trifluoromethyl)phenyl]pyrido[2,3-d]pyrimidin-2-one has a molecular weight of 346.31 g/mol, XLogP of 3.26, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-7-cyclopropyl-1-[2-(trifluoromethyl)phenyl]pyrido[2,3-d]pyrimidin-2-one is sourced from PubChem (CID 162523776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).