2-[2-(4-methoxy-2-pyridinyl)ethyl]-6-[4-(trifluoromethyl)phenyl]-1H-imidazo[4,5-b]pyridine

C21H17F3N4O — CID 10150741

IUPAC2-[2-(4-methoxy-2-pyridinyl)ethyl]-6-[4-(trifluoromethyl)phenyl]-1H-imidazo[4,5-b]pyridine
SMILESCOc1ccnc(CCc2nc3ncc(-c4ccc(C(F)(F)F)cc4)cc3[nH]2)c1
InChIInChI=1S/C21H17F3N4O/c1-29-17-8-9-25-16(11-17)6-7-19-27-18-10-14(12-26-20(18)28-19)13-2-4-15(5-3-13)21(22,23)24/h2-5,8-12H,6-7H2,1H3,(H,26,27,28)
InChIKeyGHAKOIOQZMMKDU-UHFFFAOYSA-N
MW398.39 g/mol
LogP4.83
Rot. Bonds5

About 2-[2-(4-methoxy-2-pyridinyl)ethyl]-6-[4-(trifluoromethyl)phenyl]-1H-imidazo[4,5-b]pyridine

2-[2-(4-methoxy-2-pyridinyl)ethyl]-6-[4-(trifluoromethyl)phenyl]-1H-imidazo[4,5-b]pyridine (PubChem CID 10150741) has the molecular formula C21H17F3N4O and a molecular weight of 398.39 g/mol. Its IUPAC name is 2-[2-(4-methoxy-2-pyridinyl)ethyl]-6-[4-(trifluoromethyl)phenyl]-1H-imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name2-[2-(4-methoxy-2-pyridinyl)ethyl]-6-[4-(trifluoromethyl)phenyl]-1H-imidazo[4,5-b]pyridine
PubChem CID10150741
Molecular FormulaC21H17F3N4O
Molecular Weight398.39 g/mol
Exact Mass398.14
IUPAC Name2-[2-(4-methoxy-2-pyridinyl)ethyl]-6-[4-(trifluoromethyl)phenyl]-1H-imidazo[4,5-b]pyridine
SMILESCOc1ccnc(CCc2nc3ncc(-c4ccc(C(F)(F)F)cc4)cc3[nH]2)c1
InChIInChI=1S/C21H17F3N4O/c1-29-17-8-9-25-16(11-17)6-7-19-27-18-10-14(12-26-20(18)28-19)13-2-4-15(5-3-13)21(22,23)24/h2-5,8-12H,6-7H2,1H3,(H,26,27,28)
InChIKeyGHAKOIOQZMMKDU-UHFFFAOYSA-N
XLogP4.83
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.39
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-methoxy-2-pyridinyl)ethyl]-6-[4-(trifluoromethyl)phenyl]-1H-imidazo[4,5-b]pyridine?
The IUPAC name of 2-[2-(4-methoxy-2-pyridinyl)ethyl]-6-[4-(trifluoromethyl)phenyl]-1H-imidazo[4,5-b]pyridine (CID 10150741) is 2-[2-(4-methoxy-2-pyridinyl)ethyl]-6-[4-(trifluoromethyl)phenyl]-1H-imidazo[4,5-b]pyridine.
What is the SMILES notation for 2-[2-(4-methoxy-2-pyridinyl)ethyl]-6-[4-(trifluoromethyl)phenyl]-1H-imidazo[4,5-b]pyridine?
The canonical SMILES for 2-[2-(4-methoxy-2-pyridinyl)ethyl]-6-[4-(trifluoromethyl)phenyl]-1H-imidazo[4,5-b]pyridine is COc1ccnc(CCc2nc3ncc(-c4ccc(C(F)(F)F)cc4)cc3[nH]2)c1.
What is the InChIKey of 2-[2-(4-methoxy-2-pyridinyl)ethyl]-6-[4-(trifluoromethyl)phenyl]-1H-imidazo[4,5-b]pyridine?
The InChIKey is GHAKOIOQZMMKDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17F3N4O/c1-29-17-8-9-25-16(11-17)6-7-19-27-18-10-14(12-26-20(18)28-19)13-2-4-15(5-3-13)21(22,23)24/h2-5,8-12H,6-7H2,1H3,(H,26,27,28).
What are the key properties of 2-[2-(4-methoxy-2-pyridinyl)ethyl]-6-[4-(trifluoromethyl)phenyl]-1H-imidazo[4,5-b]pyridine?
2-[2-(4-methoxy-2-pyridinyl)ethyl]-6-[4-(trifluoromethyl)phenyl]-1H-imidazo[4,5-b]pyridine has a molecular weight of 398.39 g/mol, XLogP of 4.83, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-methoxy-2-pyridinyl)ethyl]-6-[4-(trifluoromethyl)phenyl]-1H-imidazo[4,5-b]pyridine is sourced from PubChem (CID 10150741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).