5-methoxy-2-[3-(trifluoromethyl)pyrrolidin-3-yl]-1H-imidazo[4,5-b]pyridine

C12H13F3N4O — CID 65484027

IUPAC5-methoxy-2-[3-(trifluoromethyl)pyrrolidin-3-yl]-1H-imidazo[4,5-b]pyridine
SMILESCOc1ccc2[nH]c(C3(C(F)(F)F)CCNC3)nc2n1
InChIInChI=1S/C12H13F3N4O/c1-20-8-3-2-7-9(18-8)19-10(17-7)11(12(13,14)15)4-5-16-6-11/h2-3,16H,4-6H2,1H3,(H,17,18,19)
InChIKeyJXLDPVUQZLEPPO-UHFFFAOYSA-N
MW286.26 g/mol
LogP1.76
Rot. Bonds2

About 5-methoxy-2-[3-(trifluoromethyl)pyrrolidin-3-yl]-1H-imidazo[4,5-b]pyridine

5-methoxy-2-[3-(trifluoromethyl)pyrrolidin-3-yl]-1H-imidazo[4,5-b]pyridine (PubChem CID 65484027) has the molecular formula C12H13F3N4O and a molecular weight of 286.26 g/mol. Its IUPAC name is 5-methoxy-2-[3-(trifluoromethyl)pyrrolidin-3-yl]-1H-imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name5-methoxy-2-[3-(trifluoromethyl)pyrrolidin-3-yl]-1H-imidazo[4,5-b]pyridine
PubChem CID65484027
Molecular FormulaC12H13F3N4O
Molecular Weight286.26 g/mol
Exact Mass286.10
IUPAC Name5-methoxy-2-[3-(trifluoromethyl)pyrrolidin-3-yl]-1H-imidazo[4,5-b]pyridine
SMILESCOc1ccc2[nH]c(C3(C(F)(F)F)CCNC3)nc2n1
InChIInChI=1S/C12H13F3N4O/c1-20-8-3-2-7-9(18-8)19-10(17-7)11(12(13,14)15)4-5-16-6-11/h2-3,16H,4-6H2,1H3,(H,17,18,19)
InChIKeyJXLDPVUQZLEPPO-UHFFFAOYSA-N
XLogP1.76
TPSA62.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.26
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-methoxy-2-[3-(trifluoromethyl)pyrrolidin-3-yl]-1H-imidazo[4,5-b]pyridine?
The IUPAC name of 5-methoxy-2-[3-(trifluoromethyl)pyrrolidin-3-yl]-1H-imidazo[4,5-b]pyridine (CID 65484027) is 5-methoxy-2-[3-(trifluoromethyl)pyrrolidin-3-yl]-1H-imidazo[4,5-b]pyridine.
What is the SMILES notation for 5-methoxy-2-[3-(trifluoromethyl)pyrrolidin-3-yl]-1H-imidazo[4,5-b]pyridine?
The canonical SMILES for 5-methoxy-2-[3-(trifluoromethyl)pyrrolidin-3-yl]-1H-imidazo[4,5-b]pyridine is COc1ccc2[nH]c(C3(C(F)(F)F)CCNC3)nc2n1.
What is the InChIKey of 5-methoxy-2-[3-(trifluoromethyl)pyrrolidin-3-yl]-1H-imidazo[4,5-b]pyridine?
The InChIKey is JXLDPVUQZLEPPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F3N4O/c1-20-8-3-2-7-9(18-8)19-10(17-7)11(12(13,14)15)4-5-16-6-11/h2-3,16H,4-6H2,1H3,(H,17,18,19).
What are the key properties of 5-methoxy-2-[3-(trifluoromethyl)pyrrolidin-3-yl]-1H-imidazo[4,5-b]pyridine?
5-methoxy-2-[3-(trifluoromethyl)pyrrolidin-3-yl]-1H-imidazo[4,5-b]pyridine has a molecular weight of 286.26 g/mol, XLogP of 1.76, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-2-[3-(trifluoromethyl)pyrrolidin-3-yl]-1H-imidazo[4,5-b]pyridine is sourced from PubChem (CID 65484027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).