3-[1-[3-methoxy-4-[[6-(trifluoromethyl)-3-pyridinyl]methoxy]phenyl]ethyl]-6-(1-methylpyrazol-4-yl)imidazo[4,5-b]pyridin-2-amine

C26H24F3N7O2 — CID 118009843

IUPAC3-[1-[3-methoxy-4-[[6-(trifluoromethyl)-3-pyridinyl]methoxy]phenyl]ethyl]-6-(1-methylpyrazol-4-yl)imidazo[4,5-b]pyridin-2-amine
SMILESCOc1cc(C(C)n2c(N)nc3cc(-c4cnn(C)c4)cnc32)ccc1OCc1ccc(C(F)(F)F)nc1
InChIInChI=1S/C26H24F3N7O2/c1-15(36-24-20(34-25(36)30)8-18(11-32-24)19-12-33-35(2)13-19)17-5-6-21(22(9-17)37-3)38-14-16-4-7-23(31-10-16)26(27,28)29/h4-13,15H,14H2,1-3H3,(H2,30,34)
InChIKeyZWIVMZNSHMYADK-UHFFFAOYSA-N
MW523.52 g/mol
LogP5.02
Rot. Bonds7

About 3-[1-[3-methoxy-4-[[6-(trifluoromethyl)-3-pyridinyl]methoxy]phenyl]ethyl]-6-(1-methylpyrazol-4-yl)imidazo[4,5-b]pyridin-2-amine

3-[1-[3-methoxy-4-[[6-(trifluoromethyl)-3-pyridinyl]methoxy]phenyl]ethyl]-6-(1-methylpyrazol-4-yl)imidazo[4,5-b]pyridin-2-amine (PubChem CID 118009843) has the molecular formula C26H24F3N7O2 and a molecular weight of 523.52 g/mol. Its IUPAC name is 3-[1-[3-methoxy-4-[[6-(trifluoromethyl)-3-pyridinyl]methoxy]phenyl]ethyl]-6-(1-methylpyrazol-4-yl)imidazo[4,5-b]pyridin-2-amine.

Molecular Properties

Compound Name3-[1-[3-methoxy-4-[[6-(trifluoromethyl)-3-pyridinyl]methoxy]phenyl]ethyl]-6-(1-methylpyrazol-4-yl)imidazo[4,5-b]pyridin-2-amine
PubChem CID118009843
Molecular FormulaC26H24F3N7O2
Molecular Weight523.52 g/mol
Exact Mass523.19
IUPAC Name3-[1-[3-methoxy-4-[[6-(trifluoromethyl)-3-pyridinyl]methoxy]phenyl]ethyl]-6-(1-methylpyrazol-4-yl)imidazo[4,5-b]pyridin-2-amine
SMILESCOc1cc(C(C)n2c(N)nc3cc(-c4cnn(C)c4)cnc32)ccc1OCc1ccc(C(F)(F)F)nc1
InChIInChI=1S/C26H24F3N7O2/c1-15(36-24-20(34-25(36)30)8-18(11-32-24)19-12-33-35(2)13-19)17-5-6-21(22(9-17)37-3)38-14-16-4-7-23(31-10-16)26(27,28)29/h4-13,15H,14H2,1-3H3,(H2,30,34)
InChIKeyZWIVMZNSHMYADK-UHFFFAOYSA-N
XLogP5.02
TPSA105.90 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500523.52
LogP ≤ 55.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 3-[1-[3-methoxy-4-[[6-(trifluoromethyl)-3-pyridinyl]methoxy]phenyl]ethyl]-6-(1-methylpyrazol-4-yl)imidazo[4,5-b]pyridin-2-amine with MolForge

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Launch Full Analysis

Related Compounds

Mak-683
CID 121412508
Unii-XX8E5WP7FS
CID 118009787
Methyl substituted pyrazole, 27
CID 23648674
2-(1H-imidazol-1-yl)-9-methoxy-8-(2-methoxyethoxy)benzo[c][2,7]naphthyridin-4-amine
CID 44176356
2-(4-(2-(1H-imidazol-1-yl)ethoxy)phenyl)-4-(3-(pyridin-2-yl)-1H-pyrazol-4-yl)pyridine
CID 10294883
1-Methyl-2-[4-(1-methyl-4-pyridin-4-yl-1H-pyrazol-3-yl)phenoxymethyl]-1H-benzoimidazole
CID 23648644
9-Methoxy-8-(2-methoxyethoxy)-2-(4-methyl-1H-imidazol-1-yl)benzo[c]-2,7-naphthyridin-4-amine
CID 44236914
8-(4-Methoxyphenyl)-N-(1-(tetrahydro-2H-pyran-4-yl)-1H-pyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine
CID 59199121
1-(3-Methoxy-4-((4-methoxybenzyl)oxy)benzyl)-5-(1-methyl-1H-pyrazol-4-yl)-1H-benzo[d]imidazol-2-amine
CID 91801232
9-Methoxy-8-(2-methoxyethoxy)-2-(4-phenyl-1H-imidazol-1-yl)benzo[c]-2,7-naphthyridin-4-amine
CID 44236915
(s)-4-(3-((2-(6-Methoxypyridin-3-yl)-2,3-dihydrobenzo[b][1,4]dioxin-6-yl)methyl)-3h-imidazo[4,5-b]pyridin-6-yl)-2-methylbut-3-yn-2-amine
CID 126484197
US10034861, Example 165
CID 132273284

Frequently Asked Questions

What is the IUPAC name of 3-[1-[3-methoxy-4-[[6-(trifluoromethyl)-3-pyridinyl]methoxy]phenyl]ethyl]-6-(1-methylpyrazol-4-yl)imidazo[4,5-b]pyridin-2-amine?
The IUPAC name of 3-[1-[3-methoxy-4-[[6-(trifluoromethyl)-3-pyridinyl]methoxy]phenyl]ethyl]-6-(1-methylpyrazol-4-yl)imidazo[4,5-b]pyridin-2-amine (CID 118009843) is 3-[1-[3-methoxy-4-[[6-(trifluoromethyl)-3-pyridinyl]methoxy]phenyl]ethyl]-6-(1-methylpyrazol-4-yl)imidazo[4,5-b]pyridin-2-amine.
What is the SMILES notation for 3-[1-[3-methoxy-4-[[6-(trifluoromethyl)-3-pyridinyl]methoxy]phenyl]ethyl]-6-(1-methylpyrazol-4-yl)imidazo[4,5-b]pyridin-2-amine?
The canonical SMILES for 3-[1-[3-methoxy-4-[[6-(trifluoromethyl)-3-pyridinyl]methoxy]phenyl]ethyl]-6-(1-methylpyrazol-4-yl)imidazo[4,5-b]pyridin-2-amine is COc1cc(C(C)n2c(N)nc3cc(-c4cnn(C)c4)cnc32)ccc1OCc1ccc(C(F)(F)F)nc1.
What is the InChIKey of 3-[1-[3-methoxy-4-[[6-(trifluoromethyl)-3-pyridinyl]methoxy]phenyl]ethyl]-6-(1-methylpyrazol-4-yl)imidazo[4,5-b]pyridin-2-amine?
The InChIKey is ZWIVMZNSHMYADK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24F3N7O2/c1-15(36-24-20(34-25(36)30)8-18(11-32-24)19-12-33-35(2)13-19)17-5-6-21(22(9-17)37-3)38-14-16-4-7-23(31-10-16)26(27,28)29/h4-13,15H,14H2,1-3H3,(H2,30,34).
What are the key properties of 3-[1-[3-methoxy-4-[[6-(trifluoromethyl)-3-pyridinyl]methoxy]phenyl]ethyl]-6-(1-methylpyrazol-4-yl)imidazo[4,5-b]pyridin-2-amine?
3-[1-[3-methoxy-4-[[6-(trifluoromethyl)-3-pyridinyl]methoxy]phenyl]ethyl]-6-(1-methylpyrazol-4-yl)imidazo[4,5-b]pyridin-2-amine has a molecular weight of 523.52 g/mol, XLogP of 5.02, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[3-methoxy-4-[[6-(trifluoromethyl)-3-pyridinyl]methoxy]phenyl]ethyl]-6-(1-methylpyrazol-4-yl)imidazo[4,5-b]pyridin-2-amine is sourced from PubChem (CID 118009843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).