(6-fluoro-1H-imidazo[4,5-b]pyridin-2-yl)-[4-[(4-methylphenyl)methoxy]phenyl]methanol

C21H18FN3O2 — CID 54673114

IUPAC(6-fluoro-1H-imidazo[4,5-b]pyridin-2-yl)-[4-[(4-methylphenyl)methoxy]phenyl]methanol
SMILESCc1ccc(COc2ccc(C(O)c3nc4ncc(F)cc4[nH]3)cc2)cc1
InChIInChI=1S/C21H18FN3O2/c1-13-2-4-14(5-3-13)12-27-17-8-6-15(7-9-17)19(26)21-24-18-10-16(22)11-23-20(18)25-21/h2-11,19,26H,12H2,1H3,(H,23,24,25)
InChIKeyPOFSILRPTXVECO-UHFFFAOYSA-N
MW363.39 g/mol
LogP4.07
Rot. Bonds5

About (6-fluoro-1H-imidazo[4,5-b]pyridin-2-yl)-[4-[(4-methylphenyl)methoxy]phenyl]methanol

(6-fluoro-1H-imidazo[4,5-b]pyridin-2-yl)-[4-[(4-methylphenyl)methoxy]phenyl]methanol (PubChem CID 54673114) has the molecular formula C21H18FN3O2 and a molecular weight of 363.39 g/mol. Its IUPAC name is (6-fluoro-1H-imidazo[4,5-b]pyridin-2-yl)-[4-[(4-methylphenyl)methoxy]phenyl]methanol.

Molecular Properties

Compound Name(6-fluoro-1H-imidazo[4,5-b]pyridin-2-yl)-[4-[(4-methylphenyl)methoxy]phenyl]methanol
PubChem CID54673114
Molecular FormulaC21H18FN3O2
Molecular Weight363.39 g/mol
Exact Mass363.14
IUPAC Name(6-fluoro-1H-imidazo[4,5-b]pyridin-2-yl)-[4-[(4-methylphenyl)methoxy]phenyl]methanol
SMILESCc1ccc(COc2ccc(C(O)c3nc4ncc(F)cc4[nH]3)cc2)cc1
InChIInChI=1S/C21H18FN3O2/c1-13-2-4-14(5-3-13)12-27-17-8-6-15(7-9-17)19(26)21-24-18-10-16(22)11-23-20(18)25-21/h2-11,19,26H,12H2,1H3,(H,23,24,25)
InChIKeyPOFSILRPTXVECO-UHFFFAOYSA-N
XLogP4.07
TPSA71.03 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.39
LogP ≤ 54.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (6-fluoro-1H-imidazo[4,5-b]pyridin-2-yl)-[4-[(4-methylphenyl)methoxy]phenyl]methanol?
The IUPAC name of (6-fluoro-1H-imidazo[4,5-b]pyridin-2-yl)-[4-[(4-methylphenyl)methoxy]phenyl]methanol (CID 54673114) is (6-fluoro-1H-imidazo[4,5-b]pyridin-2-yl)-[4-[(4-methylphenyl)methoxy]phenyl]methanol.
What is the SMILES notation for (6-fluoro-1H-imidazo[4,5-b]pyridin-2-yl)-[4-[(4-methylphenyl)methoxy]phenyl]methanol?
The canonical SMILES for (6-fluoro-1H-imidazo[4,5-b]pyridin-2-yl)-[4-[(4-methylphenyl)methoxy]phenyl]methanol is Cc1ccc(COc2ccc(C(O)c3nc4ncc(F)cc4[nH]3)cc2)cc1.
What is the InChIKey of (6-fluoro-1H-imidazo[4,5-b]pyridin-2-yl)-[4-[(4-methylphenyl)methoxy]phenyl]methanol?
The InChIKey is POFSILRPTXVECO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18FN3O2/c1-13-2-4-14(5-3-13)12-27-17-8-6-15(7-9-17)19(26)21-24-18-10-16(22)11-23-20(18)25-21/h2-11,19,26H,12H2,1H3,(H,23,24,25).
What are the key properties of (6-fluoro-1H-imidazo[4,5-b]pyridin-2-yl)-[4-[(4-methylphenyl)methoxy]phenyl]methanol?
(6-fluoro-1H-imidazo[4,5-b]pyridin-2-yl)-[4-[(4-methylphenyl)methoxy]phenyl]methanol has a molecular weight of 363.39 g/mol, XLogP of 4.07, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6-fluoro-1H-imidazo[4,5-b]pyridin-2-yl)-[4-[(4-methylphenyl)methoxy]phenyl]methanol is sourced from PubChem (CID 54673114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).