[2-fluoro-4-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methanol

C17H14FN5O — CID 121249889

IUPAC[2-fluoro-4-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methanol
SMILESCn1cc(-c2nc3nccc(-c4ccc(CO)c(F)c4)c3[nH]2)cn1
InChIInChI=1S/C17H14FN5O/c1-23-8-12(7-20-23)16-21-15-13(4-5-19-17(15)22-16)10-2-3-11(9-24)14(18)6-10/h2-8,24H,9H2,1H3,(H,19,21,22)
InChIKeyXKLGSEYTRITKCK-UHFFFAOYSA-N
MW323.33 g/mol
LogP2.66
Rot. Bonds3

About [2-fluoro-4-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methanol

[2-fluoro-4-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methanol (PubChem CID 121249889) has the molecular formula C17H14FN5O and a molecular weight of 323.33 g/mol. Its IUPAC name is [2-fluoro-4-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methanol.

Molecular Properties

Compound Name[2-fluoro-4-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methanol
PubChem CID121249889
Molecular FormulaC17H14FN5O
Molecular Weight323.33 g/mol
Exact Mass323.12
IUPAC Name[2-fluoro-4-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methanol
SMILESCn1cc(-c2nc3nccc(-c4ccc(CO)c(F)c4)c3[nH]2)cn1
InChIInChI=1S/C17H14FN5O/c1-23-8-12(7-20-23)16-21-15-13(4-5-19-17(15)22-16)10-2-3-11(9-24)14(18)6-10/h2-8,24H,9H2,1H3,(H,19,21,22)
InChIKeyXKLGSEYTRITKCK-UHFFFAOYSA-N
XLogP2.66
TPSA79.62 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.33
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-fluoro-4-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methanol?
The IUPAC name of [2-fluoro-4-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methanol (CID 121249889) is [2-fluoro-4-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methanol.
What is the SMILES notation for [2-fluoro-4-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methanol?
The canonical SMILES for [2-fluoro-4-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methanol is Cn1cc(-c2nc3nccc(-c4ccc(CO)c(F)c4)c3[nH]2)cn1.
What is the InChIKey of [2-fluoro-4-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methanol?
The InChIKey is XKLGSEYTRITKCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14FN5O/c1-23-8-12(7-20-23)16-21-15-13(4-5-19-17(15)22-16)10-2-3-11(9-24)14(18)6-10/h2-8,24H,9H2,1H3,(H,19,21,22).
What are the key properties of [2-fluoro-4-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methanol?
[2-fluoro-4-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methanol has a molecular weight of 323.33 g/mol, XLogP of 2.66, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-fluoro-4-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methanol is sourced from PubChem (CID 121249889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).