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

C12H13F3N4 — CID 81136885

IUPAC5-methyl-2-[3-(trifluoromethyl)pyrrolidin-3-yl]-1H-imidazo[4,5-b]pyridine
SMILESCc1ccc2[nH]c(C3(C(F)(F)F)CCNC3)nc2n1
InChIInChI=1S/C12H13F3N4/c1-7-2-3-8-9(17-7)19-10(18-8)11(12(13,14)15)4-5-16-6-11/h2-3,16H,4-6H2,1H3,(H,17,18,19)
InChIKeyQVYSOWBKUGHIML-UHFFFAOYSA-N
MW270.26 g/mol
LogP2.06
Rot. Bonds1

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

5-methyl-2-[3-(trifluoromethyl)pyrrolidin-3-yl]-1H-imidazo[4,5-b]pyridine (PubChem CID 81136885) has the molecular formula C12H13F3N4 and a molecular weight of 270.26 g/mol. Its IUPAC name is 5-methyl-2-[3-(trifluoromethyl)pyrrolidin-3-yl]-1H-imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name5-methyl-2-[3-(trifluoromethyl)pyrrolidin-3-yl]-1H-imidazo[4,5-b]pyridine
PubChem CID81136885
Molecular FormulaC12H13F3N4
Molecular Weight270.26 g/mol
Exact Mass270.11
IUPAC Name5-methyl-2-[3-(trifluoromethyl)pyrrolidin-3-yl]-1H-imidazo[4,5-b]pyridine
SMILESCc1ccc2[nH]c(C3(C(F)(F)F)CCNC3)nc2n1
InChIInChI=1S/C12H13F3N4/c1-7-2-3-8-9(17-7)19-10(18-8)11(12(13,14)15)4-5-16-6-11/h2-3,16H,4-6H2,1H3,(H,17,18,19)
InChIKeyQVYSOWBKUGHIML-UHFFFAOYSA-N
XLogP2.06
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.26
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-[3-(trifluoromethyl)pyrrolidin-3-yl]-1H-imidazo[4,5-b]pyridine?
The IUPAC name of 5-methyl-2-[3-(trifluoromethyl)pyrrolidin-3-yl]-1H-imidazo[4,5-b]pyridine (CID 81136885) is 5-methyl-2-[3-(trifluoromethyl)pyrrolidin-3-yl]-1H-imidazo[4,5-b]pyridine.
What is the SMILES notation for 5-methyl-2-[3-(trifluoromethyl)pyrrolidin-3-yl]-1H-imidazo[4,5-b]pyridine?
The canonical SMILES for 5-methyl-2-[3-(trifluoromethyl)pyrrolidin-3-yl]-1H-imidazo[4,5-b]pyridine is Cc1ccc2[nH]c(C3(C(F)(F)F)CCNC3)nc2n1.
What is the InChIKey of 5-methyl-2-[3-(trifluoromethyl)pyrrolidin-3-yl]-1H-imidazo[4,5-b]pyridine?
The InChIKey is QVYSOWBKUGHIML-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F3N4/c1-7-2-3-8-9(17-7)19-10(18-8)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-methyl-2-[3-(trifluoromethyl)pyrrolidin-3-yl]-1H-imidazo[4,5-b]pyridine?
5-methyl-2-[3-(trifluoromethyl)pyrrolidin-3-yl]-1H-imidazo[4,5-b]pyridine has a molecular weight of 270.26 g/mol, XLogP of 2.06, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-[3-(trifluoromethyl)pyrrolidin-3-yl]-1H-imidazo[4,5-b]pyridine is sourced from PubChem (CID 81136885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).