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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Related Compounds

6-methyl-2-[3-(trifluoromethyl)pyrrolidin-3-yl]-1H-benzimidazole
CID 63708519
6-fluoro-2-[3-(trifluoromethyl)pyrrolidin-3-yl]-1H-benzimidazole
CID 55226691
5-methyl-2-(1,1,2,2,2-pentafluoroethyl)-1H-imidazo[4,5-b]pyridine
CID 81136910
5-methyl-2-(1,1,2,2-tetrafluoroethyl)-1H-imidazo[4,5-b]pyridine
CID 81137371
3-phenyl-3-(trifluoromethyl)pyrrolidine
CID 131256316
5-methoxy-2-(3-methylpiperidin-3-yl)-1H-imidazo[4,5-b]pyridine
CID 65484424
1-methyl-3-phenyl-5-[3-(trifluoromethyl)pyrrolidin-3-yl]-1,2,4-triazole
CID 63710175
2-(trifluoromethyl)-4-[3-(trifluoromethyl)pyrrolidin-3-yl]pyridine
CID 141429912
3-methyl-2-[3-(trifluoromethyl)pyrrolidin-3-yl]imidazo[4,5-b]pyridine
CID 63756759
2-(3-propylpiperidin-3-yl)-1H-imidazo[4,5-b]pyridin-5-amine
CID 79820861
(3R)-3-(trifluoromethyl)-3-[3-(trifluoromethyl)phenyl]pyrrolidine
CID 124566972
2-cyclobutyl-5-methyl-1H-imidazo[4,5-b]pyridine
CID 81137891

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).