6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-4-N-imidazo[1,2-a]pyridin-7-yl-2-N-[3-(1,2,4-triazol-1-yl)-5-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine

C25H24F3N11O — CID 145179604

IUPAC6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-4-N-imidazo[1,2-a]pyridin-7-yl-2-N-[3-(1,2,4-triazol-1-yl)-5-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine
SMILESC[C@@H]1CN(c2nc(Nc3cc(-n4cncn4)cc(C(F)(F)F)c3)nc(Nc3ccn4ccnc4c3)n2)C[C@H](C)O1
InChIInChI=1S/C25H24F3N11O/c1-15-11-38(12-16(2)40-15)24-35-22(32-18-3-5-37-6-4-30-21(37)10-18)34-23(36-24)33-19-7-17(25(26,27)28)8-20(9-19)39-14-29-13-31-39/h3-10,13-16H,11-12H2,1-2H3,(H2,32,33,34,35,36)/t15-,16+
InChIKeyGKXSKUTVZPECQL-IYBDPMFKSA-N
MW551.54 g/mol
LogP4.22
Rot. Bonds6

About 6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-4-N-imidazo[1,2-a]pyridin-7-yl-2-N-[3-(1,2,4-triazol-1-yl)-5-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine

6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-4-N-imidazo[1,2-a]pyridin-7-yl-2-N-[3-(1,2,4-triazol-1-yl)-5-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine (PubChem CID 145179604) has the molecular formula C25H24F3N11O and a molecular weight of 551.54 g/mol. Its IUPAC name is 6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-4-N-imidazo[1,2-a]pyridin-7-yl-2-N-[3-(1,2,4-triazol-1-yl)-5-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-4-N-imidazo[1,2-a]pyridin-7-yl-2-N-[3-(1,2,4-triazol-1-yl)-5-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine
PubChem CID145179604
Molecular FormulaC25H24F3N11O
Molecular Weight551.54 g/mol
Exact Mass551.21
IUPAC Name6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-4-N-imidazo[1,2-a]pyridin-7-yl-2-N-[3-(1,2,4-triazol-1-yl)-5-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine
SMILESC[C@@H]1CN(c2nc(Nc3cc(-n4cncn4)cc(C(F)(F)F)c3)nc(Nc3ccn4ccnc4c3)n2)C[C@H](C)O1
InChIInChI=1S/C25H24F3N11O/c1-15-11-38(12-16(2)40-15)24-35-22(32-18-3-5-37-6-4-30-21(37)10-18)34-23(36-24)33-19-7-17(25(26,27)28)8-20(9-19)39-14-29-13-31-39/h3-10,13-16H,11-12H2,1-2H3,(H2,32,33,34,35,36)/t15-,16+
InChIKeyGKXSKUTVZPECQL-IYBDPMFKSA-N
XLogP4.22
TPSA123.21 Ų
H-Bond Donors2
H-Bond Acceptors12
Rotatable Bonds6
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500551.54
LogP ≤ 54.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1012

Analyze 6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-4-N-imidazo[1,2-a]pyridin-7-yl-2-N-[3-(1,2,4-triazol-1-yl)-5-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-4-N-imidazo[1,2-a]pyridin-7-yl-2-N-[3-(1,2,4-triazol-1-yl)-5-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-4-N-imidazo[1,2-a]pyridin-7-yl-2-N-[3-(1,2,4-triazol-1-yl)-5-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine (CID 145179604) is 6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-4-N-imidazo[1,2-a]pyridin-7-yl-2-N-[3-(1,2,4-triazol-1-yl)-5-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-4-N-imidazo[1,2-a]pyridin-7-yl-2-N-[3-(1,2,4-triazol-1-yl)-5-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-4-N-imidazo[1,2-a]pyridin-7-yl-2-N-[3-(1,2,4-triazol-1-yl)-5-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine is C[C@@H]1CN(c2nc(Nc3cc(-n4cncn4)cc(C(F)(F)F)c3)nc(Nc3ccn4ccnc4c3)n2)C[C@H](C)O1.
What is the InChIKey of 6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-4-N-imidazo[1,2-a]pyridin-7-yl-2-N-[3-(1,2,4-triazol-1-yl)-5-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine?
The InChIKey is GKXSKUTVZPECQL-IYBDPMFKSA-N. The full InChI is InChI=1S/C25H24F3N11O/c1-15-11-38(12-16(2)40-15)24-35-22(32-18-3-5-37-6-4-30-21(37)10-18)34-23(36-24)33-19-7-17(25(26,27)28)8-20(9-19)39-14-29-13-31-39/h3-10,13-16H,11-12H2,1-2H3,(H2,32,33,34,35,36)/t15-,16+.
What are the key properties of 6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-4-N-imidazo[1,2-a]pyridin-7-yl-2-N-[3-(1,2,4-triazol-1-yl)-5-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine?
6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-4-N-imidazo[1,2-a]pyridin-7-yl-2-N-[3-(1,2,4-triazol-1-yl)-5-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine has a molecular weight of 551.54 g/mol, XLogP of 4.22, 6 rotatable bonds, 2 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-4-N-imidazo[1,2-a]pyridin-7-yl-2-N-[3-(1,2,4-triazol-1-yl)-5-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 145179604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).