3-[4-methyl-6-[[4-methyl-5-[2-(trifluoromethyl)-4-pyridinyl]-2-pyridinyl]methylamino]-1,3,5-triazin-2-yl]-1,3-oxazolidin-2-one

C20H18F3N7O2 — CID 154980304

IUPAC3-[4-methyl-6-[[4-methyl-5-[2-(trifluoromethyl)-4-pyridinyl]-2-pyridinyl]methylamino]-1,3,5-triazin-2-yl]-1,3-oxazolidin-2-one
SMILESCc1nc(NCc2cc(C)c(-c3ccnc(C(F)(F)F)c3)cn2)nc(N2CCOC2=O)n1
InChIInChI=1S/C20H18F3N7O2/c1-11-7-14(25-10-15(11)13-3-4-24-16(8-13)20(21,22)23)9-26-17-27-12(2)28-18(29-17)30-5-6-32-19(30)31/h3-4,7-8,10H,5-6,9H2,1-2H3,(H,26,27,28,29)
InChIKeyAQSHRPAPQZBICF-UHFFFAOYSA-N
MW445.41 g/mol
LogP3.53
Rot. Bonds5

About 3-[4-methyl-6-[[4-methyl-5-[2-(trifluoromethyl)-4-pyridinyl]-2-pyridinyl]methylamino]-1,3,5-triazin-2-yl]-1,3-oxazolidin-2-one

3-[4-methyl-6-[[4-methyl-5-[2-(trifluoromethyl)-4-pyridinyl]-2-pyridinyl]methylamino]-1,3,5-triazin-2-yl]-1,3-oxazolidin-2-one (PubChem CID 154980304) has the molecular formula C20H18F3N7O2 and a molecular weight of 445.41 g/mol. Its IUPAC name is 3-[4-methyl-6-[[4-methyl-5-[2-(trifluoromethyl)-4-pyridinyl]-2-pyridinyl]methylamino]-1,3,5-triazin-2-yl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[4-methyl-6-[[4-methyl-5-[2-(trifluoromethyl)-4-pyridinyl]-2-pyridinyl]methylamino]-1,3,5-triazin-2-yl]-1,3-oxazolidin-2-one
PubChem CID154980304
Molecular FormulaC20H18F3N7O2
Molecular Weight445.41 g/mol
Exact Mass445.15
IUPAC Name3-[4-methyl-6-[[4-methyl-5-[2-(trifluoromethyl)-4-pyridinyl]-2-pyridinyl]methylamino]-1,3,5-triazin-2-yl]-1,3-oxazolidin-2-one
SMILESCc1nc(NCc2cc(C)c(-c3ccnc(C(F)(F)F)c3)cn2)nc(N2CCOC2=O)n1
InChIInChI=1S/C20H18F3N7O2/c1-11-7-14(25-10-15(11)13-3-4-24-16(8-13)20(21,22)23)9-26-17-27-12(2)28-18(29-17)30-5-6-32-19(30)31/h3-4,7-8,10H,5-6,9H2,1-2H3,(H,26,27,28,29)
InChIKeyAQSHRPAPQZBICF-UHFFFAOYSA-N
XLogP3.53
TPSA106.02 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.41
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 3-[4-methyl-6-[[4-methyl-5-[2-(trifluoromethyl)-4-pyridinyl]-2-pyridinyl]methylamino]-1,3,5-triazin-2-yl]-1,3-oxazolidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4S)-4-ethyl-3-[4-methyl-6-[1-[4-methyl-5-[2-(trifluoromethyl)-4-pyridinyl]-2-pyridinyl]ethylamino]-1,3,5-triazin-2-yl]-1,3-oxazolidin-2-one
CID 154960836
2-ethenyl-4-methyl-5-[2-(trifluoromethyl)-4-pyridinyl]pyridine
CID 145352422
3-[2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]ethyl]-1,3-oxazolidin-2-one
CID 56860108
3-[4-methyl-6-[[(1S)-1-(1-pyridin-4-ylimidazol-4-yl)ethyl]amino]-1,3,5-triazin-2-yl]-1,3-oxazolidin-2-one
CID 154974894
(4R)-3-[2-[[(1S)-1-[2,5-difluoro-4-[2-(trifluoromethyl)-4-pyridinyl]phenyl]ethyl]amino]-5-fluoropyrimidin-4-yl]-4-[(1S)-1-fluoroethyl]-1,3-oxazolidin-2-one
CID 90415540
[(4R)-8-[2-(trifluoromethyl)-4-pyridinyl]-3,4-dihydro-2H-chromen-4-yl]methylcarbamic acid
CID 174232188
3-[2-[[(1R)-1-[2-(trifluoromethyl)phenyl]ethyl]amino]pyrimidin-4-yl]-1,3-oxazolidin-2-one
CID 130285255
3-methyl-5-[6-[[5-[2-(trifluoromethyl)-4-pyridinyl]-1,2,4-oxadiazol-3-yl]methyl]-3-pyridinyl]-1,2,4-oxadiazole
CID 155265591
4-[4-morpholin-4-yl-6-[2-(trifluoromethyl)-4-pyridinyl]-1,3,5-triazin-2-yl]morpholine
CID 58507712
N-[[4-fluoro-1-[2-(trifluoromethyl)-4-pyridinyl]piperidin-4-yl]methyl]-2,6-dimethylpyrimidin-4-amine
CID 166604813
3-[2-[[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]amino]pyrimidin-4-yl]-1,3-oxazolidin-2-one
CID 130285907
3-[4-methyl-3-[(5-methylimidazo[1,2-a]pyridin-2-yl)methylamino]phenyl]-1,3-oxazolidin-2-one
CID 71981747

Frequently Asked Questions

What is the IUPAC name of 3-[4-methyl-6-[[4-methyl-5-[2-(trifluoromethyl)-4-pyridinyl]-2-pyridinyl]methylamino]-1,3,5-triazin-2-yl]-1,3-oxazolidin-2-one?
The IUPAC name of 3-[4-methyl-6-[[4-methyl-5-[2-(trifluoromethyl)-4-pyridinyl]-2-pyridinyl]methylamino]-1,3,5-triazin-2-yl]-1,3-oxazolidin-2-one (CID 154980304) is 3-[4-methyl-6-[[4-methyl-5-[2-(trifluoromethyl)-4-pyridinyl]-2-pyridinyl]methylamino]-1,3,5-triazin-2-yl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[4-methyl-6-[[4-methyl-5-[2-(trifluoromethyl)-4-pyridinyl]-2-pyridinyl]methylamino]-1,3,5-triazin-2-yl]-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[4-methyl-6-[[4-methyl-5-[2-(trifluoromethyl)-4-pyridinyl]-2-pyridinyl]methylamino]-1,3,5-triazin-2-yl]-1,3-oxazolidin-2-one is Cc1nc(NCc2cc(C)c(-c3ccnc(C(F)(F)F)c3)cn2)nc(N2CCOC2=O)n1.
What is the InChIKey of 3-[4-methyl-6-[[4-methyl-5-[2-(trifluoromethyl)-4-pyridinyl]-2-pyridinyl]methylamino]-1,3,5-triazin-2-yl]-1,3-oxazolidin-2-one?
The InChIKey is AQSHRPAPQZBICF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18F3N7O2/c1-11-7-14(25-10-15(11)13-3-4-24-16(8-13)20(21,22)23)9-26-17-27-12(2)28-18(29-17)30-5-6-32-19(30)31/h3-4,7-8,10H,5-6,9H2,1-2H3,(H,26,27,28,29).
What are the key properties of 3-[4-methyl-6-[[4-methyl-5-[2-(trifluoromethyl)-4-pyridinyl]-2-pyridinyl]methylamino]-1,3,5-triazin-2-yl]-1,3-oxazolidin-2-one?
3-[4-methyl-6-[[4-methyl-5-[2-(trifluoromethyl)-4-pyridinyl]-2-pyridinyl]methylamino]-1,3,5-triazin-2-yl]-1,3-oxazolidin-2-one has a molecular weight of 445.41 g/mol, XLogP of 3.53, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-methyl-6-[[4-methyl-5-[2-(trifluoromethyl)-4-pyridinyl]-2-pyridinyl]methylamino]-1,3,5-triazin-2-yl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 154980304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).