7-[2-fluoro-5-(oxetan-3-ylmethoxy)-3-(1,3,5-trimethylpyrazol-4-yl)phenyl]-1H-imidazo[4,5-b]pyridine

C22H22FN5O2 — CID 170556416

IUPAC7-[2-fluoro-5-(oxetan-3-ylmethoxy)-3-(1,3,5-trimethylpyrazol-4-yl)phenyl]-1H-imidazo[4,5-b]pyridine
SMILESCc1nn(C)c(C)c1-c1cc(OCC2COC2)cc(-c2ccnc3nc[nH]c23)c1F
InChIInChI=1S/C22H22FN5O2/c1-12-19(13(2)28(3)27-12)18-7-15(30-10-14-8-29-9-14)6-17(20(18)23)16-4-5-24-22-21(16)25-11-26-22/h4-7,11,14H,8-10H2,1-3H3,(H,24,25,26)
InChIKeyJUMXBRHFDXULAH-UHFFFAOYSA-N
MW407.45 g/mol
LogP3.81
Rot. Bonds5

About 7-[2-fluoro-5-(oxetan-3-ylmethoxy)-3-(1,3,5-trimethylpyrazol-4-yl)phenyl]-1H-imidazo[4,5-b]pyridine

7-[2-fluoro-5-(oxetan-3-ylmethoxy)-3-(1,3,5-trimethylpyrazol-4-yl)phenyl]-1H-imidazo[4,5-b]pyridine (PubChem CID 170556416) has the molecular formula C22H22FN5O2 and a molecular weight of 407.45 g/mol. Its IUPAC name is 7-[2-fluoro-5-(oxetan-3-ylmethoxy)-3-(1,3,5-trimethylpyrazol-4-yl)phenyl]-1H-imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name7-[2-fluoro-5-(oxetan-3-ylmethoxy)-3-(1,3,5-trimethylpyrazol-4-yl)phenyl]-1H-imidazo[4,5-b]pyridine
PubChem CID170556416
Molecular FormulaC22H22FN5O2
Molecular Weight407.45 g/mol
Exact Mass407.18
IUPAC Name7-[2-fluoro-5-(oxetan-3-ylmethoxy)-3-(1,3,5-trimethylpyrazol-4-yl)phenyl]-1H-imidazo[4,5-b]pyridine
SMILESCc1nn(C)c(C)c1-c1cc(OCC2COC2)cc(-c2ccnc3nc[nH]c23)c1F
InChIInChI=1S/C22H22FN5O2/c1-12-19(13(2)28(3)27-12)18-7-15(30-10-14-8-29-9-14)6-17(20(18)23)16-4-5-24-22-21(16)25-11-26-22/h4-7,11,14H,8-10H2,1-3H3,(H,24,25,26)
InChIKeyJUMXBRHFDXULAH-UHFFFAOYSA-N
XLogP3.81
TPSA77.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.45
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-[2-fluoro-5-(oxetan-3-ylmethoxy)-3-(1,3,5-trimethylpyrazol-4-yl)phenyl]-1H-imidazo[4,5-b]pyridine?
The IUPAC name of 7-[2-fluoro-5-(oxetan-3-ylmethoxy)-3-(1,3,5-trimethylpyrazol-4-yl)phenyl]-1H-imidazo[4,5-b]pyridine (CID 170556416) is 7-[2-fluoro-5-(oxetan-3-ylmethoxy)-3-(1,3,5-trimethylpyrazol-4-yl)phenyl]-1H-imidazo[4,5-b]pyridine.
What is the SMILES notation for 7-[2-fluoro-5-(oxetan-3-ylmethoxy)-3-(1,3,5-trimethylpyrazol-4-yl)phenyl]-1H-imidazo[4,5-b]pyridine?
The canonical SMILES for 7-[2-fluoro-5-(oxetan-3-ylmethoxy)-3-(1,3,5-trimethylpyrazol-4-yl)phenyl]-1H-imidazo[4,5-b]pyridine is Cc1nn(C)c(C)c1-c1cc(OCC2COC2)cc(-c2ccnc3nc[nH]c23)c1F.
What is the InChIKey of 7-[2-fluoro-5-(oxetan-3-ylmethoxy)-3-(1,3,5-trimethylpyrazol-4-yl)phenyl]-1H-imidazo[4,5-b]pyridine?
The InChIKey is JUMXBRHFDXULAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22FN5O2/c1-12-19(13(2)28(3)27-12)18-7-15(30-10-14-8-29-9-14)6-17(20(18)23)16-4-5-24-22-21(16)25-11-26-22/h4-7,11,14H,8-10H2,1-3H3,(H,24,25,26).
What are the key properties of 7-[2-fluoro-5-(oxetan-3-ylmethoxy)-3-(1,3,5-trimethylpyrazol-4-yl)phenyl]-1H-imidazo[4,5-b]pyridine?
7-[2-fluoro-5-(oxetan-3-ylmethoxy)-3-(1,3,5-trimethylpyrazol-4-yl)phenyl]-1H-imidazo[4,5-b]pyridine has a molecular weight of 407.45 g/mol, XLogP of 3.81, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[2-fluoro-5-(oxetan-3-ylmethoxy)-3-(1,3,5-trimethylpyrazol-4-yl)phenyl]-1H-imidazo[4,5-b]pyridine is sourced from PubChem (CID 170556416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).