7-methyl-2-morpholin-4-yl-9-[1-[3-(trifluoromethyl)anilino]ethyl]pyrido[1,2-a]pyrimidin-4-one

C22H23F3N4O2 — CID 66839817

IUPAC7-methyl-2-morpholin-4-yl-9-[1-[3-(trifluoromethyl)anilino]ethyl]pyrido[1,2-a]pyrimidin-4-one
SMILESCc1cc(C(C)Nc2cccc(C(F)(F)F)c2)c2nc(N3CCOCC3)cc(=O)n2c1
InChIInChI=1S/C22H23F3N4O2/c1-14-10-18(15(2)26-17-5-3-4-16(11-17)22(23,24)25)21-27-19(12-20(30)29(21)13-14)28-6-8-31-9-7-28/h3-5,10-13,15,26H,6-9H2,1-2H3
InChIKeyMNYDDELZSLYLCK-UHFFFAOYSA-N
MW432.45 g/mol
LogP4.03
Rot. Bonds4

About 7-methyl-2-morpholin-4-yl-9-[1-[3-(trifluoromethyl)anilino]ethyl]pyrido[1,2-a]pyrimidin-4-one

7-methyl-2-morpholin-4-yl-9-[1-[3-(trifluoromethyl)anilino]ethyl]pyrido[1,2-a]pyrimidin-4-one (PubChem CID 66839817) has the molecular formula C22H23F3N4O2 and a molecular weight of 432.45 g/mol. Its IUPAC name is 7-methyl-2-morpholin-4-yl-9-[1-[3-(trifluoromethyl)anilino]ethyl]pyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name7-methyl-2-morpholin-4-yl-9-[1-[3-(trifluoromethyl)anilino]ethyl]pyrido[1,2-a]pyrimidin-4-one
PubChem CID66839817
Molecular FormulaC22H23F3N4O2
Molecular Weight432.45 g/mol
Exact Mass432.18
IUPAC Name7-methyl-2-morpholin-4-yl-9-[1-[3-(trifluoromethyl)anilino]ethyl]pyrido[1,2-a]pyrimidin-4-one
SMILESCc1cc(C(C)Nc2cccc(C(F)(F)F)c2)c2nc(N3CCOCC3)cc(=O)n2c1
InChIInChI=1S/C22H23F3N4O2/c1-14-10-18(15(2)26-17-5-3-4-16(11-17)22(23,24)25)21-27-19(12-20(30)29(21)13-14)28-6-8-31-9-7-28/h3-5,10-13,15,26H,6-9H2,1-2H3
InChIKeyMNYDDELZSLYLCK-UHFFFAOYSA-N
XLogP4.03
TPSA58.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.45
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-methyl-2-morpholin-4-yl-9-[1-[3-(trifluoromethyl)anilino]ethyl]pyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 7-methyl-2-morpholin-4-yl-9-[1-[3-(trifluoromethyl)anilino]ethyl]pyrido[1,2-a]pyrimidin-4-one (CID 66839817) is 7-methyl-2-morpholin-4-yl-9-[1-[3-(trifluoromethyl)anilino]ethyl]pyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 7-methyl-2-morpholin-4-yl-9-[1-[3-(trifluoromethyl)anilino]ethyl]pyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 7-methyl-2-morpholin-4-yl-9-[1-[3-(trifluoromethyl)anilino]ethyl]pyrido[1,2-a]pyrimidin-4-one is Cc1cc(C(C)Nc2cccc(C(F)(F)F)c2)c2nc(N3CCOCC3)cc(=O)n2c1.
What is the InChIKey of 7-methyl-2-morpholin-4-yl-9-[1-[3-(trifluoromethyl)anilino]ethyl]pyrido[1,2-a]pyrimidin-4-one?
The InChIKey is MNYDDELZSLYLCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23F3N4O2/c1-14-10-18(15(2)26-17-5-3-4-16(11-17)22(23,24)25)21-27-19(12-20(30)29(21)13-14)28-6-8-31-9-7-28/h3-5,10-13,15,26H,6-9H2,1-2H3.
What are the key properties of 7-methyl-2-morpholin-4-yl-9-[1-[3-(trifluoromethyl)anilino]ethyl]pyrido[1,2-a]pyrimidin-4-one?
7-methyl-2-morpholin-4-yl-9-[1-[3-(trifluoromethyl)anilino]ethyl]pyrido[1,2-a]pyrimidin-4-one has a molecular weight of 432.45 g/mol, XLogP of 4.03, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-2-morpholin-4-yl-9-[1-[3-(trifluoromethyl)anilino]ethyl]pyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 66839817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).