7-N-[2-methoxy-3-(2-methyl-1,2,4-triazol-3-yl)phenyl]-2-methyl-3-(oxan-2-yl)-5-N-[6-(trifluoromethyl)-2-pyridinyl]imidazo[4,5-b]pyridine-5,7-diamine

C28H28F3N9O2 — CID 134456893

IUPAC7-N-[2-methoxy-3-(2-methyl-1,2,4-triazol-3-yl)phenyl]-2-methyl-3-(oxan-2-yl)-5-N-[6-(trifluoromethyl)-2-pyridinyl]imidazo[4,5-b]pyridine-5,7-diamine
SMILESCOc1c(Nc2cc(Nc3cccc(C(F)(F)F)n3)nc3c2nc(C)n3C2CCCCO2)cccc1-c1ncnn1C
InChIInChI=1S/C28H28F3N9O2/c1-16-34-24-19(35-18-9-6-8-17(25(18)41-3)26-32-15-33-39(26)2)14-22(37-21-11-7-10-20(36-21)28(29,30)31)38-27(24)40(16)23-12-4-5-13-42-23/h6-11,14-15,23H,4-5,12-13H2,1-3H3,(H2,35,36,37,38)
InChIKeyAORPICYKNYSOFI-UHFFFAOYSA-N
MW579.59 g/mol
LogP6.14
Rot. Bonds7

About 7-N-[2-methoxy-3-(2-methyl-1,2,4-triazol-3-yl)phenyl]-2-methyl-3-(oxan-2-yl)-5-N-[6-(trifluoromethyl)-2-pyridinyl]imidazo[4,5-b]pyridine-5,7-diamine

7-N-[2-methoxy-3-(2-methyl-1,2,4-triazol-3-yl)phenyl]-2-methyl-3-(oxan-2-yl)-5-N-[6-(trifluoromethyl)-2-pyridinyl]imidazo[4,5-b]pyridine-5,7-diamine (PubChem CID 134456893) has the molecular formula C28H28F3N9O2 and a molecular weight of 579.59 g/mol. Its IUPAC name is 7-N-[2-methoxy-3-(2-methyl-1,2,4-triazol-3-yl)phenyl]-2-methyl-3-(oxan-2-yl)-5-N-[6-(trifluoromethyl)-2-pyridinyl]imidazo[4,5-b]pyridine-5,7-diamine.

Molecular Properties

Compound Name7-N-[2-methoxy-3-(2-methyl-1,2,4-triazol-3-yl)phenyl]-2-methyl-3-(oxan-2-yl)-5-N-[6-(trifluoromethyl)-2-pyridinyl]imidazo[4,5-b]pyridine-5,7-diamine
PubChem CID134456893
Molecular FormulaC28H28F3N9O2
Molecular Weight579.59 g/mol
Exact Mass579.23
IUPAC Name7-N-[2-methoxy-3-(2-methyl-1,2,4-triazol-3-yl)phenyl]-2-methyl-3-(oxan-2-yl)-5-N-[6-(trifluoromethyl)-2-pyridinyl]imidazo[4,5-b]pyridine-5,7-diamine
SMILESCOc1c(Nc2cc(Nc3cccc(C(F)(F)F)n3)nc3c2nc(C)n3C2CCCCO2)cccc1-c1ncnn1C
InChIInChI=1S/C28H28F3N9O2/c1-16-34-24-19(35-18-9-6-8-17(25(18)41-3)26-32-15-33-39(26)2)14-22(37-21-11-7-10-20(36-21)28(29,30)31)38-27(24)40(16)23-12-4-5-13-42-23/h6-11,14-15,23H,4-5,12-13H2,1-3H3,(H2,35,36,37,38)
InChIKeyAORPICYKNYSOFI-UHFFFAOYSA-N
XLogP6.14
TPSA116.83 Ų
H-Bond Donors2
H-Bond Acceptors11
Rotatable Bonds7
Heavy Atoms42
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500579.59
LogP ≤ 56.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1011

Analyze 7-N-[2-methoxy-3-(2-methyl-1,2,4-triazol-3-yl)phenyl]-2-methyl-3-(oxan-2-yl)-5-N-[6-(trifluoromethyl)-2-pyridinyl]imidazo[4,5-b]pyridine-5,7-diamine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 7-N-[2-methoxy-3-(2-methyl-1,2,4-triazol-3-yl)phenyl]-2-methyl-3-(oxan-2-yl)-5-N-[6-(trifluoromethyl)-2-pyridinyl]imidazo[4,5-b]pyridine-5,7-diamine?
The IUPAC name of 7-N-[2-methoxy-3-(2-methyl-1,2,4-triazol-3-yl)phenyl]-2-methyl-3-(oxan-2-yl)-5-N-[6-(trifluoromethyl)-2-pyridinyl]imidazo[4,5-b]pyridine-5,7-diamine (CID 134456893) is 7-N-[2-methoxy-3-(2-methyl-1,2,4-triazol-3-yl)phenyl]-2-methyl-3-(oxan-2-yl)-5-N-[6-(trifluoromethyl)-2-pyridinyl]imidazo[4,5-b]pyridine-5,7-diamine.
What is the SMILES notation for 7-N-[2-methoxy-3-(2-methyl-1,2,4-triazol-3-yl)phenyl]-2-methyl-3-(oxan-2-yl)-5-N-[6-(trifluoromethyl)-2-pyridinyl]imidazo[4,5-b]pyridine-5,7-diamine?
The canonical SMILES for 7-N-[2-methoxy-3-(2-methyl-1,2,4-triazol-3-yl)phenyl]-2-methyl-3-(oxan-2-yl)-5-N-[6-(trifluoromethyl)-2-pyridinyl]imidazo[4,5-b]pyridine-5,7-diamine is COc1c(Nc2cc(Nc3cccc(C(F)(F)F)n3)nc3c2nc(C)n3C2CCCCO2)cccc1-c1ncnn1C.
What is the InChIKey of 7-N-[2-methoxy-3-(2-methyl-1,2,4-triazol-3-yl)phenyl]-2-methyl-3-(oxan-2-yl)-5-N-[6-(trifluoromethyl)-2-pyridinyl]imidazo[4,5-b]pyridine-5,7-diamine?
The InChIKey is AORPICYKNYSOFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28F3N9O2/c1-16-34-24-19(35-18-9-6-8-17(25(18)41-3)26-32-15-33-39(26)2)14-22(37-21-11-7-10-20(36-21)28(29,30)31)38-27(24)40(16)23-12-4-5-13-42-23/h6-11,14-15,23H,4-5,12-13H2,1-3H3,(H2,35,36,37,38).
What are the key properties of 7-N-[2-methoxy-3-(2-methyl-1,2,4-triazol-3-yl)phenyl]-2-methyl-3-(oxan-2-yl)-5-N-[6-(trifluoromethyl)-2-pyridinyl]imidazo[4,5-b]pyridine-5,7-diamine?
7-N-[2-methoxy-3-(2-methyl-1,2,4-triazol-3-yl)phenyl]-2-methyl-3-(oxan-2-yl)-5-N-[6-(trifluoromethyl)-2-pyridinyl]imidazo[4,5-b]pyridine-5,7-diamine has a molecular weight of 579.59 g/mol, XLogP of 6.14, 7 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 7-N-[2-methoxy-3-(2-methyl-1,2,4-triazol-3-yl)phenyl]-2-methyl-3-(oxan-2-yl)-5-N-[6-(trifluoromethyl)-2-pyridinyl]imidazo[4,5-b]pyridine-5,7-diamine is sourced from PubChem (CID 134456893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).