2-methyl-6-morpholin-4-yl-4-[1-[3-(trifluoromethyl)phenyl]propylamino]pyrido[4,3-d]pyrimidin-7-one

C22H24F3N5O2 — CID 164555119

IUPAC2-methyl-6-morpholin-4-yl-4-[1-[3-(trifluoromethyl)phenyl]propylamino]pyrido[4,3-d]pyrimidin-7-one
SMILESCCC(Nc1nc(C)nc2cc(=O)n(N3CCOCC3)cc12)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C22H24F3N5O2/c1-3-18(15-5-4-6-16(11-15)22(23,24)25)28-21-17-13-30(29-7-9-32-10-8-29)20(31)12-19(17)26-14(2)27-21/h4-6,11-13,18H,3,7-10H2,1-2H3,(H,26,27,28)
InChIKeyDZISMLAMODQZSX-UHFFFAOYSA-N
MW447.46 g/mol
LogP3.65
Rot. Bonds5

About 2-methyl-6-morpholin-4-yl-4-[1-[3-(trifluoromethyl)phenyl]propylamino]pyrido[4,3-d]pyrimidin-7-one

2-methyl-6-morpholin-4-yl-4-[1-[3-(trifluoromethyl)phenyl]propylamino]pyrido[4,3-d]pyrimidin-7-one (PubChem CID 164555119) has the molecular formula C22H24F3N5O2 and a molecular weight of 447.46 g/mol. Its IUPAC name is 2-methyl-6-morpholin-4-yl-4-[1-[3-(trifluoromethyl)phenyl]propylamino]pyrido[4,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name2-methyl-6-morpholin-4-yl-4-[1-[3-(trifluoromethyl)phenyl]propylamino]pyrido[4,3-d]pyrimidin-7-one
PubChem CID164555119
Molecular FormulaC22H24F3N5O2
Molecular Weight447.46 g/mol
Exact Mass447.19
IUPAC Name2-methyl-6-morpholin-4-yl-4-[1-[3-(trifluoromethyl)phenyl]propylamino]pyrido[4,3-d]pyrimidin-7-one
SMILESCCC(Nc1nc(C)nc2cc(=O)n(N3CCOCC3)cc12)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C22H24F3N5O2/c1-3-18(15-5-4-6-16(11-15)22(23,24)25)28-21-17-13-30(29-7-9-32-10-8-29)20(31)12-19(17)26-14(2)27-21/h4-6,11-13,18H,3,7-10H2,1-2H3,(H,26,27,28)
InChIKeyDZISMLAMODQZSX-UHFFFAOYSA-N
XLogP3.65
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.46
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-morpholin-4-yl-4-[1-[3-(trifluoromethyl)phenyl]propylamino]pyrido[4,3-d]pyrimidin-7-one?
The IUPAC name of 2-methyl-6-morpholin-4-yl-4-[1-[3-(trifluoromethyl)phenyl]propylamino]pyrido[4,3-d]pyrimidin-7-one (CID 164555119) is 2-methyl-6-morpholin-4-yl-4-[1-[3-(trifluoromethyl)phenyl]propylamino]pyrido[4,3-d]pyrimidin-7-one.
What is the SMILES notation for 2-methyl-6-morpholin-4-yl-4-[1-[3-(trifluoromethyl)phenyl]propylamino]pyrido[4,3-d]pyrimidin-7-one?
The canonical SMILES for 2-methyl-6-morpholin-4-yl-4-[1-[3-(trifluoromethyl)phenyl]propylamino]pyrido[4,3-d]pyrimidin-7-one is CCC(Nc1nc(C)nc2cc(=O)n(N3CCOCC3)cc12)c1cccc(C(F)(F)F)c1.
What is the InChIKey of 2-methyl-6-morpholin-4-yl-4-[1-[3-(trifluoromethyl)phenyl]propylamino]pyrido[4,3-d]pyrimidin-7-one?
The InChIKey is DZISMLAMODQZSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24F3N5O2/c1-3-18(15-5-4-6-16(11-15)22(23,24)25)28-21-17-13-30(29-7-9-32-10-8-29)20(31)12-19(17)26-14(2)27-21/h4-6,11-13,18H,3,7-10H2,1-2H3,(H,26,27,28).
What are the key properties of 2-methyl-6-morpholin-4-yl-4-[1-[3-(trifluoromethyl)phenyl]propylamino]pyrido[4,3-d]pyrimidin-7-one?
2-methyl-6-morpholin-4-yl-4-[1-[3-(trifluoromethyl)phenyl]propylamino]pyrido[4,3-d]pyrimidin-7-one has a molecular weight of 447.46 g/mol, XLogP of 3.65, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-morpholin-4-yl-4-[1-[3-(trifluoromethyl)phenyl]propylamino]pyrido[4,3-d]pyrimidin-7-one is sourced from PubChem (CID 164555119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).