2,3-dimethyl-7-[(2S)-2-(2-methyl-4-pyridinyl)morpholin-4-yl]-5-[6-(trifluoromethyl)-3-pyridinyl]pyrido[4,3-d]pyrimidin-4-one

C25H23F3N6O2 — CID 166830859

IUPAC2,3-dimethyl-7-[(2S)-2-(2-methyl-4-pyridinyl)morpholin-4-yl]-5-[6-(trifluoromethyl)-3-pyridinyl]pyrido[4,3-d]pyrimidin-4-one
SMILESCc1cc([C@H]2CN(c3cc4nc(C)n(C)c(=O)c4c(-c4ccc(C(F)(F)F)nc4)n3)CCO2)ccn1
InChIInChI=1S/C25H23F3N6O2/c1-14-10-16(6-7-29-14)19-13-34(8-9-36-19)21-11-18-22(24(35)33(3)15(2)31-18)23(32-21)17-4-5-20(30-12-17)25(26,27)28/h4-7,10-12,19H,8-9,13H2,1-3H3/t19-/m1/s1
InChIKeyNXEVZICBQDLBOO-LJQANCHMSA-N
MW496.49 g/mol
LogP4.00
Rot. Bonds3

About 2,3-dimethyl-7-[(2S)-2-(2-methyl-4-pyridinyl)morpholin-4-yl]-5-[6-(trifluoromethyl)-3-pyridinyl]pyrido[4,3-d]pyrimidin-4-one

2,3-dimethyl-7-[(2S)-2-(2-methyl-4-pyridinyl)morpholin-4-yl]-5-[6-(trifluoromethyl)-3-pyridinyl]pyrido[4,3-d]pyrimidin-4-one (PubChem CID 166830859) has the molecular formula C25H23F3N6O2 and a molecular weight of 496.49 g/mol. Its IUPAC name is 2,3-dimethyl-7-[(2S)-2-(2-methyl-4-pyridinyl)morpholin-4-yl]-5-[6-(trifluoromethyl)-3-pyridinyl]pyrido[4,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name2,3-dimethyl-7-[(2S)-2-(2-methyl-4-pyridinyl)morpholin-4-yl]-5-[6-(trifluoromethyl)-3-pyridinyl]pyrido[4,3-d]pyrimidin-4-one
PubChem CID166830859
Molecular FormulaC25H23F3N6O2
Molecular Weight496.49 g/mol
Exact Mass496.18
IUPAC Name2,3-dimethyl-7-[(2S)-2-(2-methyl-4-pyridinyl)morpholin-4-yl]-5-[6-(trifluoromethyl)-3-pyridinyl]pyrido[4,3-d]pyrimidin-4-one
SMILESCc1cc([C@H]2CN(c3cc4nc(C)n(C)c(=O)c4c(-c4ccc(C(F)(F)F)nc4)n3)CCO2)ccn1
InChIInChI=1S/C25H23F3N6O2/c1-14-10-16(6-7-29-14)19-13-34(8-9-36-19)21-11-18-22(24(35)33(3)15(2)31-18)23(32-21)17-4-5-20(30-12-17)25(26,27)28/h4-7,10-12,19H,8-9,13H2,1-3H3/t19-/m1/s1
InChIKeyNXEVZICBQDLBOO-LJQANCHMSA-N
XLogP4.00
TPSA86.03 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.49
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

2,3-dimethyl-6-[2-(2-methyl-4-pyridinyl)morpholin-4-yl]-8-[6-(trifluoromethyl)-3-pyridinyl]pyrido[3,4-d]pyrimidin-4-one
CID 170711724
2-(2-methyl-4-pyridinyl)-4-[2-methyl-5-[6-(trifluoromethyl)-3-pyridinyl]pyrido[3,4-b]pyrazin-7-yl]morpholine
CID 157044639
5-(2,4-difluorophenyl)-2,3-dimethyl-7-[2-(2-methyl-4-pyridinyl)morpholin-4-yl]pyrido[4,3-d]pyrimidin-4-one
CID 166830816
5-(4-chloro-2-fluorophenyl)-2,3-dimethyl-7-[(2R)-2-[2-(trifluoromethyl)-4-pyridinyl]morpholin-4-yl]pyrido[4,3-d]pyrimidin-4-one
CID 166830377
5-(4-chloro-2-fluorophenyl)-2,3-dimethyl-7-[(2S)-2-[2-(trifluoromethyl)-4-pyridinyl]morpholin-4-yl]pyrido[4,3-d]pyrimidin-4-one
CID 166830372
2,3-dimethyl-6-[(2S)-2-(1-methylpyrazol-4-yl)morpholin-4-yl]-8-[6-(trifluoromethyl)-3-pyridinyl]pyrido[3,4-d]pyrimidin-4-one
CID 170711533
5-(4-chlorophenyl)-2,3-dimethyl-7-[2-(1-methylpyrazol-4-yl)morpholin-4-yl]pyrido[4,3-d]pyrimidin-4-one
CID 166830594
5-[2-fluoro-4-(trifluoromethyl)phenyl]-2,3-dimethyl-7-[(2R)-2-(1-methylpyrazol-4-yl)morpholin-4-yl]pyrido[4,3-d]pyrimidin-4-one
CID 166830777
5-(2,4-difluorophenyl)-2,3-dimethyl-7-[(2R)-2-(2-oxo-1H-pyridin-4-yl)morpholin-4-yl]pyrido[4,3-d]pyrimidin-4-one
CID 170182279
5-(4-chloro-2-fluorophenyl)-2,3-dimethyl-7-[2-[3-(trifluoromethoxy)phenyl]morpholin-4-yl]pyrido[4,3-d]pyrimidin-4-one
CID 166830621
5-(4-chloro-2,5-difluorophenyl)-2,3-dimethyl-7-[(2R)-2-(1-methylpyrazol-4-yl)morpholin-4-yl]pyrido[4,3-d]pyrimidin-4-one
CID 166830504
2-(2-methyl-4-pyridinyl)-4-[2-methyl-5-[4-(trifluoromethyl)-2-bicyclo[2.1.1]hexanyl]pyrido[3,4-b]pyrazin-7-yl]morpholine
CID 157044830

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-7-[(2S)-2-(2-methyl-4-pyridinyl)morpholin-4-yl]-5-[6-(trifluoromethyl)-3-pyridinyl]pyrido[4,3-d]pyrimidin-4-one?
The IUPAC name of 2,3-dimethyl-7-[(2S)-2-(2-methyl-4-pyridinyl)morpholin-4-yl]-5-[6-(trifluoromethyl)-3-pyridinyl]pyrido[4,3-d]pyrimidin-4-one (CID 166830859) is 2,3-dimethyl-7-[(2S)-2-(2-methyl-4-pyridinyl)morpholin-4-yl]-5-[6-(trifluoromethyl)-3-pyridinyl]pyrido[4,3-d]pyrimidin-4-one.
What is the SMILES notation for 2,3-dimethyl-7-[(2S)-2-(2-methyl-4-pyridinyl)morpholin-4-yl]-5-[6-(trifluoromethyl)-3-pyridinyl]pyrido[4,3-d]pyrimidin-4-one?
The canonical SMILES for 2,3-dimethyl-7-[(2S)-2-(2-methyl-4-pyridinyl)morpholin-4-yl]-5-[6-(trifluoromethyl)-3-pyridinyl]pyrido[4,3-d]pyrimidin-4-one is Cc1cc([C@H]2CN(c3cc4nc(C)n(C)c(=O)c4c(-c4ccc(C(F)(F)F)nc4)n3)CCO2)ccn1.
What is the InChIKey of 2,3-dimethyl-7-[(2S)-2-(2-methyl-4-pyridinyl)morpholin-4-yl]-5-[6-(trifluoromethyl)-3-pyridinyl]pyrido[4,3-d]pyrimidin-4-one?
The InChIKey is NXEVZICBQDLBOO-LJQANCHMSA-N. The full InChI is InChI=1S/C25H23F3N6O2/c1-14-10-16(6-7-29-14)19-13-34(8-9-36-19)21-11-18-22(24(35)33(3)15(2)31-18)23(32-21)17-4-5-20(30-12-17)25(26,27)28/h4-7,10-12,19H,8-9,13H2,1-3H3/t19-/m1/s1.
What are the key properties of 2,3-dimethyl-7-[(2S)-2-(2-methyl-4-pyridinyl)morpholin-4-yl]-5-[6-(trifluoromethyl)-3-pyridinyl]pyrido[4,3-d]pyrimidin-4-one?
2,3-dimethyl-7-[(2S)-2-(2-methyl-4-pyridinyl)morpholin-4-yl]-5-[6-(trifluoromethyl)-3-pyridinyl]pyrido[4,3-d]pyrimidin-4-one has a molecular weight of 496.49 g/mol, XLogP of 4.00, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-7-[(2S)-2-(2-methyl-4-pyridinyl)morpholin-4-yl]-5-[6-(trifluoromethyl)-3-pyridinyl]pyrido[4,3-d]pyrimidin-4-one is sourced from PubChem (CID 166830859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).