(4-morpholin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-[3-(trifluoromethyl)phenyl]methanone

C19H19F3N4O2 — CID 70722355

IUPAC(4-morpholin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-[3-(trifluoromethyl)phenyl]methanone
SMILESO=C(c1cccc(C(F)(F)F)c1)N1CCc2c(ncnc2N2CCOCC2)C1
InChIInChI=1S/C19H19F3N4O2/c20-19(21,22)14-3-1-2-13(10-14)18(27)26-5-4-15-16(11-26)23-12-24-17(15)25-6-8-28-9-7-25/h1-3,10,12H,4-9,11H2
InChIKeyMNYAUECLJUTROU-UHFFFAOYSA-N
MW392.38 g/mol
LogP2.53
Rot. Bonds2

About (4-morpholin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-[3-(trifluoromethyl)phenyl]methanone

(4-morpholin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-[3-(trifluoromethyl)phenyl]methanone (PubChem CID 70722355) has the molecular formula C19H19F3N4O2 and a molecular weight of 392.38 g/mol. Its IUPAC name is (4-morpholin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-[3-(trifluoromethyl)phenyl]methanone.

Molecular Properties

Compound Name(4-morpholin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-[3-(trifluoromethyl)phenyl]methanone
PubChem CID70722355
Molecular FormulaC19H19F3N4O2
Molecular Weight392.38 g/mol
Exact Mass392.15
IUPAC Name(4-morpholin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-[3-(trifluoromethyl)phenyl]methanone
SMILESO=C(c1cccc(C(F)(F)F)c1)N1CCc2c(ncnc2N2CCOCC2)C1
InChIInChI=1S/C19H19F3N4O2/c20-19(21,22)14-3-1-2-13(10-14)18(27)26-5-4-15-16(11-26)23-12-24-17(15)25-6-8-28-9-7-25/h1-3,10,12H,4-9,11H2
InChIKeyMNYAUECLJUTROU-UHFFFAOYSA-N
XLogP2.53
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.38
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (4-morpholin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-[3-(trifluoromethyl)phenyl]methanone?
The IUPAC name of (4-morpholin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-[3-(trifluoromethyl)phenyl]methanone (CID 70722355) is (4-morpholin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-[3-(trifluoromethyl)phenyl]methanone.
What is the SMILES notation for (4-morpholin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-[3-(trifluoromethyl)phenyl]methanone?
The canonical SMILES for (4-morpholin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-[3-(trifluoromethyl)phenyl]methanone is O=C(c1cccc(C(F)(F)F)c1)N1CCc2c(ncnc2N2CCOCC2)C1.
What is the InChIKey of (4-morpholin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-[3-(trifluoromethyl)phenyl]methanone?
The InChIKey is MNYAUECLJUTROU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F3N4O2/c20-19(21,22)14-3-1-2-13(10-14)18(27)26-5-4-15-16(11-26)23-12-24-17(15)25-6-8-28-9-7-25/h1-3,10,12H,4-9,11H2.
What are the key properties of (4-morpholin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-[3-(trifluoromethyl)phenyl]methanone?
(4-morpholin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-[3-(trifluoromethyl)phenyl]methanone has a molecular weight of 392.38 g/mol, XLogP of 2.53, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-morpholin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-[3-(trifluoromethyl)phenyl]methanone is sourced from PubChem (CID 70722355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).