4-[[4-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-6-morpholin-4-yl-1,3,5-triazin-2-yl]oxy]-3-fluoro-N,N-dimethylbenzamide

C22H21F4N7O3 — CID 72948667

IUPAC4-[[4-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-6-morpholin-4-yl-1,3,5-triazin-2-yl]oxy]-3-fluoro-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1ccc(Oc2nc(-c3cnc(N)cc3C(F)(F)F)nc(N3CCOCC3)n2)c(F)c1
InChIInChI=1S/C22H21F4N7O3/c1-32(2)19(34)12-3-4-16(15(23)9-12)36-21-30-18(29-20(31-21)33-5-7-35-8-6-33)13-11-28-17(27)10-14(13)22(24,25)26/h3-4,9-11H,5-8H2,1-2H3,(H2,27,28)
InChIKeyOFFBHSQZURJEIJ-UHFFFAOYSA-N
MW507.45 g/mol
LogP3.00
Rot. Bonds5

About 4-[[4-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-6-morpholin-4-yl-1,3,5-triazin-2-yl]oxy]-3-fluoro-N,N-dimethylbenzamide

4-[[4-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-6-morpholin-4-yl-1,3,5-triazin-2-yl]oxy]-3-fluoro-N,N-dimethylbenzamide (PubChem CID 72948667) has the molecular formula C22H21F4N7O3 and a molecular weight of 507.45 g/mol. Its IUPAC name is 4-[[4-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-6-morpholin-4-yl-1,3,5-triazin-2-yl]oxy]-3-fluoro-N,N-dimethylbenzamide.

Molecular Properties

Compound Name4-[[4-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-6-morpholin-4-yl-1,3,5-triazin-2-yl]oxy]-3-fluoro-N,N-dimethylbenzamide
PubChem CID72948667
Molecular FormulaC22H21F4N7O3
Molecular Weight507.45 g/mol
Exact Mass507.16
IUPAC Name4-[[4-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-6-morpholin-4-yl-1,3,5-triazin-2-yl]oxy]-3-fluoro-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1ccc(Oc2nc(-c3cnc(N)cc3C(F)(F)F)nc(N3CCOCC3)n2)c(F)c1
InChIInChI=1S/C22H21F4N7O3/c1-32(2)19(34)12-3-4-16(15(23)9-12)36-21-30-18(29-20(31-21)33-5-7-35-8-6-33)13-11-28-17(27)10-14(13)22(24,25)26/h3-4,9-11H,5-8H2,1-2H3,(H2,27,28)
InChIKeyOFFBHSQZURJEIJ-UHFFFAOYSA-N
XLogP3.00
TPSA119.59 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500507.45
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 4-[[4-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-6-morpholin-4-yl-1,3,5-triazin-2-yl]oxy]-3-fluoro-N,N-dimethylbenzamide with MolForge

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Related Compounds

Dora-22
CID 25126515
Jnj-61393215
CID 139030979
6-[[5-fluoro-4-[4-(trifluoromethoxy)phenyl]pyrimidin-2-yl]amino]-N-[2-methyl-5-(morpholin-4-ylmethyl)phenyl]pyridine-3-carboxamide
CID 127040232
(4-Ethoxy-phenyl)-(4-pyridin-2-yl-piperazin-1-yl)-methanone
CID 891507
(4-Butoxyphenyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 2094435
N3-(4-Methoxybenzoyl)-N2-[1-(4-pyridyl)-piperidin-4-ylmethyl]-2,3-pyridinediamine
CID 9825165
[4-[6-Amino-5-(6-methoxy-3-pyridyl)-3-pyridyl]phenyl]-morpholino-methanone
CID 53312150
4-[[4-(2-amino-1H-imidazol-5-yl)-6-morpholin-4-yl-1,3,5-triazin-2-yl]oxy]-N,N-dimethylbenzamide
CID 60162574
3-fluoro-N-(6-methoxy-2-pyridinyl)-5-pyrimidin-5-yloxybenzamide
CID 69936736
3-fluoro-5-pyrimidin-5-yloxy-N-[4-(trifluoromethyl)pyridin-2-yl]benzamide
CID 69936803
4-[[4-(2-aminopyrimidin-5-yl)-6-morpholin-4-yl-1,3,5-triazin-2-yl]oxy]-N,N-dimethylbenzamide
CID 72950262
3-fluoro-N,N-dimethyl-4-[[4-morpholin-4-yl-6-(1H-pyrrolo[2,3-b]pyridin-5-yl)-1,3,5-triazin-2-yl]oxy]benzamide
CID 89996437

Frequently Asked Questions

What is the IUPAC name of 4-[[4-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-6-morpholin-4-yl-1,3,5-triazin-2-yl]oxy]-3-fluoro-N,N-dimethylbenzamide?
The IUPAC name of 4-[[4-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-6-morpholin-4-yl-1,3,5-triazin-2-yl]oxy]-3-fluoro-N,N-dimethylbenzamide (CID 72948667) is 4-[[4-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-6-morpholin-4-yl-1,3,5-triazin-2-yl]oxy]-3-fluoro-N,N-dimethylbenzamide.
What is the SMILES notation for 4-[[4-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-6-morpholin-4-yl-1,3,5-triazin-2-yl]oxy]-3-fluoro-N,N-dimethylbenzamide?
The canonical SMILES for 4-[[4-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-6-morpholin-4-yl-1,3,5-triazin-2-yl]oxy]-3-fluoro-N,N-dimethylbenzamide is CN(C)C(=O)c1ccc(Oc2nc(-c3cnc(N)cc3C(F)(F)F)nc(N3CCOCC3)n2)c(F)c1.
What is the InChIKey of 4-[[4-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-6-morpholin-4-yl-1,3,5-triazin-2-yl]oxy]-3-fluoro-N,N-dimethylbenzamide?
The InChIKey is OFFBHSQZURJEIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21F4N7O3/c1-32(2)19(34)12-3-4-16(15(23)9-12)36-21-30-18(29-20(31-21)33-5-7-35-8-6-33)13-11-28-17(27)10-14(13)22(24,25)26/h3-4,9-11H,5-8H2,1-2H3,(H2,27,28).
What are the key properties of 4-[[4-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-6-morpholin-4-yl-1,3,5-triazin-2-yl]oxy]-3-fluoro-N,N-dimethylbenzamide?
4-[[4-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-6-morpholin-4-yl-1,3,5-triazin-2-yl]oxy]-3-fluoro-N,N-dimethylbenzamide has a molecular weight of 507.45 g/mol, XLogP of 3.00, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-6-morpholin-4-yl-1,3,5-triazin-2-yl]oxy]-3-fluoro-N,N-dimethylbenzamide is sourced from PubChem (CID 72948667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).