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

C12H13F3N4 — CID 63756759

IUPAC3-methyl-2-[3-(trifluoromethyl)pyrrolidin-3-yl]imidazo[4,5-b]pyridine
SMILESCn1c(C2(C(F)(F)F)CCNC2)nc2cccnc21
InChIInChI=1S/C12H13F3N4/c1-19-9-8(3-2-5-17-9)18-10(19)11(12(13,14)15)4-6-16-7-11/h2-3,5,16H,4,6-7H2,1H3
InChIKeyWHKBZLZLQQPYDV-UHFFFAOYSA-N
MW270.26 g/mol
LogP1.76
Rot. Bonds1

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

3-methyl-2-[3-(trifluoromethyl)pyrrolidin-3-yl]imidazo[4,5-b]pyridine (PubChem CID 63756759) has the molecular formula C12H13F3N4 and a molecular weight of 270.26 g/mol. Its IUPAC name is 3-methyl-2-[3-(trifluoromethyl)pyrrolidin-3-yl]imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name3-methyl-2-[3-(trifluoromethyl)pyrrolidin-3-yl]imidazo[4,5-b]pyridine
PubChem CID63756759
Molecular FormulaC12H13F3N4
Molecular Weight270.26 g/mol
Exact Mass270.11
IUPAC Name3-methyl-2-[3-(trifluoromethyl)pyrrolidin-3-yl]imidazo[4,5-b]pyridine
SMILESCn1c(C2(C(F)(F)F)CCNC2)nc2cccnc21
InChIInChI=1S/C12H13F3N4/c1-19-9-8(3-2-5-17-9)18-10(19)11(12(13,14)15)4-6-16-7-11/h2-3,5,16H,4,6-7H2,1H3
InChIKeyWHKBZLZLQQPYDV-UHFFFAOYSA-N
XLogP1.76
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.26
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-[3-(trifluoromethyl)pyrrolidin-3-yl]imidazo[4,5-b]pyridine?
The IUPAC name of 3-methyl-2-[3-(trifluoromethyl)pyrrolidin-3-yl]imidazo[4,5-b]pyridine (CID 63756759) is 3-methyl-2-[3-(trifluoromethyl)pyrrolidin-3-yl]imidazo[4,5-b]pyridine.
What is the SMILES notation for 3-methyl-2-[3-(trifluoromethyl)pyrrolidin-3-yl]imidazo[4,5-b]pyridine?
The canonical SMILES for 3-methyl-2-[3-(trifluoromethyl)pyrrolidin-3-yl]imidazo[4,5-b]pyridine is Cn1c(C2(C(F)(F)F)CCNC2)nc2cccnc21.
What is the InChIKey of 3-methyl-2-[3-(trifluoromethyl)pyrrolidin-3-yl]imidazo[4,5-b]pyridine?
The InChIKey is WHKBZLZLQQPYDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F3N4/c1-19-9-8(3-2-5-17-9)18-10(19)11(12(13,14)15)4-6-16-7-11/h2-3,5,16H,4,6-7H2,1H3.
What are the key properties of 3-methyl-2-[3-(trifluoromethyl)pyrrolidin-3-yl]imidazo[4,5-b]pyridine?
3-methyl-2-[3-(trifluoromethyl)pyrrolidin-3-yl]imidazo[4,5-b]pyridine has a molecular weight of 270.26 g/mol, XLogP of 1.76, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-[3-(trifluoromethyl)pyrrolidin-3-yl]imidazo[4,5-b]pyridine is sourced from PubChem (CID 63756759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).