2-[[5,7-bis(trifluoromethyl)imidazo[4,5-b]pyridin-3-yl]methoxy]propane-1,3-diol

C12H11F6N3O3 — CID 134830684

IUPAC2-[[5,7-bis(trifluoromethyl)imidazo[4,5-b]pyridin-3-yl]methoxy]propane-1,3-diol
SMILESOCC(CO)OCn1cnc2c(C(F)(F)F)cc(C(F)(F)F)nc21
InChIInChI=1S/C12H11F6N3O3/c13-11(14,15)7-1-8(12(16,17)18)20-10-9(7)19-4-21(10)5-24-6(2-22)3-23/h1,4,6,22-23H,2-3,5H2
InChIKeyIDAOMWUKOJZWJB-UHFFFAOYSA-N
MW359.23 g/mol
LogP1.80
Rot. Bonds5

About 2-[[5,7-bis(trifluoromethyl)imidazo[4,5-b]pyridin-3-yl]methoxy]propane-1,3-diol

2-[[5,7-bis(trifluoromethyl)imidazo[4,5-b]pyridin-3-yl]methoxy]propane-1,3-diol (PubChem CID 134830684) has the molecular formula C12H11F6N3O3 and a molecular weight of 359.23 g/mol. Its IUPAC name is 2-[[5,7-bis(trifluoromethyl)imidazo[4,5-b]pyridin-3-yl]methoxy]propane-1,3-diol.

Molecular Properties

Compound Name2-[[5,7-bis(trifluoromethyl)imidazo[4,5-b]pyridin-3-yl]methoxy]propane-1,3-diol
PubChem CID134830684
Molecular FormulaC12H11F6N3O3
Molecular Weight359.23 g/mol
Exact Mass359.07
IUPAC Name2-[[5,7-bis(trifluoromethyl)imidazo[4,5-b]pyridin-3-yl]methoxy]propane-1,3-diol
SMILESOCC(CO)OCn1cnc2c(C(F)(F)F)cc(C(F)(F)F)nc21
InChIInChI=1S/C12H11F6N3O3/c13-11(14,15)7-1-8(12(16,17)18)20-10-9(7)19-4-21(10)5-24-6(2-22)3-23/h1,4,6,22-23H,2-3,5H2
InChIKeyIDAOMWUKOJZWJB-UHFFFAOYSA-N
XLogP1.80
TPSA80.40 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.23
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-[[5,7-bis(trifluoromethyl)imidazo[4,5-b]pyridin-3-yl]methoxy]propane-1,3-diol with MolForge

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Related Compounds

2-amino-9-(1,3-dihydroxypropan-2-yloxymethyl)-1H-purin-6-one
CID 135398740
2-[(2-amino-6-methylpurin-9-yl)methoxy]butan-1-ol
CID 91543921
2-[2-methyl-5,7-bis(trifluoromethyl)imidazo[4,5-b]pyridin-3-yl]ethanol
CID 91926273
2-[(6-aminopurin-9-yl)methoxy]-3-chloropropan-1-ol
CID 14410788
5,7,16,18-tetrakis(trifluoromethyl)-3,8,10,13,15,20-hexazapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(20),2,4(9),5,7,14(19),15,17-octaene
CID 102457481
2,3-dimethyl-5,7-bis(trifluoromethyl)imidazo[4,5-b]pyridine
CID 121216165
9-(1-hydroxybutan-2-yloxymethyl)-2-(methylamino)-1H-purin-6-one
CID 135829676
2-amino-9-(1,3-dihydroxypropan-2-yloxymethyl)-1H-purin-6-one;2-amino-9-[4-hydroxy-2-(hydroxymethyl)butyl]-1H-purin-6-one
CID 135542231
2-amino-9-(1-hydroxyhexan-2-yloxymethyl)-1H-purin-6-one
CID 135749844
9-(1,3-dihydroxypropan-2-yloxymethyl)-2-methyl-1H-purin-6-one;[3-hydroxy-2-[(2-methyl-6-oxo-1H-purin-9-yl)methoxy]propyl] 2-amino-3-methylbutanoate
CID 158366910
[2-[[6-ethoxy-2-(methylamino)purin-9-yl]methoxy]-3-hydroxypropyl] ethyl carbonate
CID 70450657
2-amino-9-[[(2R,3R)-4-fluoro-1,3-dihydroxybutan-2-yl]oxymethyl]-1H-purin-6-one
CID 136768433

Frequently Asked Questions

What is the IUPAC name of 2-[[5,7-bis(trifluoromethyl)imidazo[4,5-b]pyridin-3-yl]methoxy]propane-1,3-diol?
The IUPAC name of 2-[[5,7-bis(trifluoromethyl)imidazo[4,5-b]pyridin-3-yl]methoxy]propane-1,3-diol (CID 134830684) is 2-[[5,7-bis(trifluoromethyl)imidazo[4,5-b]pyridin-3-yl]methoxy]propane-1,3-diol.
What is the SMILES notation for 2-[[5,7-bis(trifluoromethyl)imidazo[4,5-b]pyridin-3-yl]methoxy]propane-1,3-diol?
The canonical SMILES for 2-[[5,7-bis(trifluoromethyl)imidazo[4,5-b]pyridin-3-yl]methoxy]propane-1,3-diol is OCC(CO)OCn1cnc2c(C(F)(F)F)cc(C(F)(F)F)nc21.
What is the InChIKey of 2-[[5,7-bis(trifluoromethyl)imidazo[4,5-b]pyridin-3-yl]methoxy]propane-1,3-diol?
The InChIKey is IDAOMWUKOJZWJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F6N3O3/c13-11(14,15)7-1-8(12(16,17)18)20-10-9(7)19-4-21(10)5-24-6(2-22)3-23/h1,4,6,22-23H,2-3,5H2.
What are the key properties of 2-[[5,7-bis(trifluoromethyl)imidazo[4,5-b]pyridin-3-yl]methoxy]propane-1,3-diol?
2-[[5,7-bis(trifluoromethyl)imidazo[4,5-b]pyridin-3-yl]methoxy]propane-1,3-diol has a molecular weight of 359.23 g/mol, XLogP of 1.80, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5,7-bis(trifluoromethyl)imidazo[4,5-b]pyridin-3-yl]methoxy]propane-1,3-diol is sourced from PubChem (CID 134830684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).