3-methyl-2-(3-propoxy-4-pyridinyl)-6-(trifluoromethyl)imidazo[4,5-b]pyridine

C16H15F3N4O — CID 66663269

IUPAC3-methyl-2-(3-propoxy-4-pyridinyl)-6-(trifluoromethyl)imidazo[4,5-b]pyridine
SMILESCCCOc1cnccc1-c1nc2cc(C(F)(F)F)cnc2n1C
InChIInChI=1S/C16H15F3N4O/c1-3-6-24-13-9-20-5-4-11(13)14-22-12-7-10(16(17,18)19)8-21-15(12)23(14)2/h4-5,7-9H,3,6H2,1-2H3
InChIKeyPNBHUUTUJZXERX-UHFFFAOYSA-N
MW336.32 g/mol
LogP3.84
Rot. Bonds4

About 3-methyl-2-(3-propoxy-4-pyridinyl)-6-(trifluoromethyl)imidazo[4,5-b]pyridine

3-methyl-2-(3-propoxy-4-pyridinyl)-6-(trifluoromethyl)imidazo[4,5-b]pyridine (PubChem CID 66663269) has the molecular formula C16H15F3N4O and a molecular weight of 336.32 g/mol. Its IUPAC name is 3-methyl-2-(3-propoxy-4-pyridinyl)-6-(trifluoromethyl)imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name3-methyl-2-(3-propoxy-4-pyridinyl)-6-(trifluoromethyl)imidazo[4,5-b]pyridine
PubChem CID66663269
Molecular FormulaC16H15F3N4O
Molecular Weight336.32 g/mol
Exact Mass336.12
IUPAC Name3-methyl-2-(3-propoxy-4-pyridinyl)-6-(trifluoromethyl)imidazo[4,5-b]pyridine
SMILESCCCOc1cnccc1-c1nc2cc(C(F)(F)F)cnc2n1C
InChIInChI=1S/C16H15F3N4O/c1-3-6-24-13-9-20-5-4-11(13)14-22-12-7-10(16(17,18)19)8-21-15(12)23(14)2/h4-5,7-9H,3,6H2,1-2H3
InChIKeyPNBHUUTUJZXERX-UHFFFAOYSA-N
XLogP3.84
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.32
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-(3-propoxy-4-pyridinyl)-6-(trifluoromethyl)imidazo[4,5-b]pyridine?
The IUPAC name of 3-methyl-2-(3-propoxy-4-pyridinyl)-6-(trifluoromethyl)imidazo[4,5-b]pyridine (CID 66663269) is 3-methyl-2-(3-propoxy-4-pyridinyl)-6-(trifluoromethyl)imidazo[4,5-b]pyridine.
What is the SMILES notation for 3-methyl-2-(3-propoxy-4-pyridinyl)-6-(trifluoromethyl)imidazo[4,5-b]pyridine?
The canonical SMILES for 3-methyl-2-(3-propoxy-4-pyridinyl)-6-(trifluoromethyl)imidazo[4,5-b]pyridine is CCCOc1cnccc1-c1nc2cc(C(F)(F)F)cnc2n1C.
What is the InChIKey of 3-methyl-2-(3-propoxy-4-pyridinyl)-6-(trifluoromethyl)imidazo[4,5-b]pyridine?
The InChIKey is PNBHUUTUJZXERX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F3N4O/c1-3-6-24-13-9-20-5-4-11(13)14-22-12-7-10(16(17,18)19)8-21-15(12)23(14)2/h4-5,7-9H,3,6H2,1-2H3.
What are the key properties of 3-methyl-2-(3-propoxy-4-pyridinyl)-6-(trifluoromethyl)imidazo[4,5-b]pyridine?
3-methyl-2-(3-propoxy-4-pyridinyl)-6-(trifluoromethyl)imidazo[4,5-b]pyridine has a molecular weight of 336.32 g/mol, XLogP of 3.84, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-(3-propoxy-4-pyridinyl)-6-(trifluoromethyl)imidazo[4,5-b]pyridine is sourced from PubChem (CID 66663269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).