2-propyl-3-[[3-(trifluoromethyl)phenyl]methyl]imidazo[4,5-b]pyridine

C17H16F3N3 — CID 117165879

IUPAC2-propyl-3-[[3-(trifluoromethyl)phenyl]methyl]imidazo[4,5-b]pyridine
SMILESCCCc1nc2cccnc2n1Cc1cccc(C(F)(F)F)c1
InChIInChI=1S/C17H16F3N3/c1-2-5-15-22-14-8-4-9-21-16(14)23(15)11-12-6-3-7-13(10-12)17(18,19)20/h3-4,6-10H,2,5,11H2,1H3
InChIKeyRPDFEDWQAYBFCL-UHFFFAOYSA-N
MW319.33 g/mol
LogP4.45
Rot. Bonds4

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

2-propyl-3-[[3-(trifluoromethyl)phenyl]methyl]imidazo[4,5-b]pyridine (PubChem CID 117165879) has the molecular formula C17H16F3N3 and a molecular weight of 319.33 g/mol. Its IUPAC name is 2-propyl-3-[[3-(trifluoromethyl)phenyl]methyl]imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name2-propyl-3-[[3-(trifluoromethyl)phenyl]methyl]imidazo[4,5-b]pyridine
PubChem CID117165879
Molecular FormulaC17H16F3N3
Molecular Weight319.33 g/mol
Exact Mass319.13
IUPAC Name2-propyl-3-[[3-(trifluoromethyl)phenyl]methyl]imidazo[4,5-b]pyridine
SMILESCCCc1nc2cccnc2n1Cc1cccc(C(F)(F)F)c1
InChIInChI=1S/C17H16F3N3/c1-2-5-15-22-14-8-4-9-21-16(14)23(15)11-12-6-3-7-13(10-12)17(18,19)20/h3-4,6-10H,2,5,11H2,1H3
InChIKeyRPDFEDWQAYBFCL-UHFFFAOYSA-N
XLogP4.45
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.33
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-propyl-3-[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]imidazo[4,5-b]pyridine
CID 42276683
2-propyl-3-[3-(trifluoromethyl)phenyl]imidazo[4,5-b]pyridine
CID 117165971
3-[[4-(1,1-difluoroethoxy)phenyl]methyl]-2-propylimidazo[4,5-b]pyridine
CID 145133101
3-[(3-fluorophenyl)methyl]-2-[[3-(trifluoromethyl)phenyl]methylsulfanyl]imidazo[4,5-b]pyridine
CID 20908726
3-[(4-chlorophenyl)methyl]-2-[[3-(trifluoromethyl)phenyl]methylsulfanyl]imidazo[4,5-b]pyridine
CID 20908753
4-[3-[(4-fluorophenyl)methyl]imidazo[4,5-b]pyridin-2-yl]-N-[3-(trifluoromethyl)phenyl]butanamide
CID 46360141
[3-[(3-methylphenyl)methyl]imidazo[4,5-b]pyridin-2-yl]methanamine
CID 53298848
2-(chloromethyl)-3-[(3-fluorophenyl)methyl]imidazo[4,5-b]pyridine
CID 71648916
3-[3-[(3-chlorophenyl)methyl]imidazo[4,5-b]pyridin-2-yl]propan-1-ol
CID 117159690
3-[(3-methylphenyl)methyl]-2-(2-methylpropyl)imidazo[4,5-b]pyridine
CID 117165886
[3-[(3-chlorophenyl)methyl]imidazo[4,5-b]pyridin-2-yl]methanol
CID 71649911
2-[4-[(2-propylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]benzonitrile
CID 67943643

Frequently Asked Questions

What is the IUPAC name of 2-propyl-3-[[3-(trifluoromethyl)phenyl]methyl]imidazo[4,5-b]pyridine?
The IUPAC name of 2-propyl-3-[[3-(trifluoromethyl)phenyl]methyl]imidazo[4,5-b]pyridine (CID 117165879) is 2-propyl-3-[[3-(trifluoromethyl)phenyl]methyl]imidazo[4,5-b]pyridine.
What is the SMILES notation for 2-propyl-3-[[3-(trifluoromethyl)phenyl]methyl]imidazo[4,5-b]pyridine?
The canonical SMILES for 2-propyl-3-[[3-(trifluoromethyl)phenyl]methyl]imidazo[4,5-b]pyridine is CCCc1nc2cccnc2n1Cc1cccc(C(F)(F)F)c1.
What is the InChIKey of 2-propyl-3-[[3-(trifluoromethyl)phenyl]methyl]imidazo[4,5-b]pyridine?
The InChIKey is RPDFEDWQAYBFCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F3N3/c1-2-5-15-22-14-8-4-9-21-16(14)23(15)11-12-6-3-7-13(10-12)17(18,19)20/h3-4,6-10H,2,5,11H2,1H3.
What are the key properties of 2-propyl-3-[[3-(trifluoromethyl)phenyl]methyl]imidazo[4,5-b]pyridine?
2-propyl-3-[[3-(trifluoromethyl)phenyl]methyl]imidazo[4,5-b]pyridine has a molecular weight of 319.33 g/mol, XLogP of 4.45, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propyl-3-[[3-(trifluoromethyl)phenyl]methyl]imidazo[4,5-b]pyridine is sourced from PubChem (CID 117165879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).