4-[4-(1-tert-butyl-4-methylpyrazol-5-yl)-3-methylphenoxy]furo[3,2-c]pyridine

C22H23N3O2 — CID 90142280

IUPAC4-[4-(1-tert-butyl-4-methylpyrazol-5-yl)-3-methylphenoxy]furo[3,2-c]pyridine
SMILESCc1cc(Oc2nccc3occc23)ccc1-c1c(C)cnn1C(C)(C)C
InChIInChI=1S/C22H23N3O2/c1-14-12-16(27-21-18-9-11-26-19(18)8-10-23-21)6-7-17(14)20-15(2)13-24-25(20)22(3,4)5/h6-13H,1-5H3
InChIKeyGNQPYOOQTOYIEY-UHFFFAOYSA-N
MW361.45 g/mol
LogP5.86
Rot. Bonds3

About 4-[4-(1-tert-butyl-4-methylpyrazol-5-yl)-3-methylphenoxy]furo[3,2-c]pyridine

4-[4-(1-tert-butyl-4-methylpyrazol-5-yl)-3-methylphenoxy]furo[3,2-c]pyridine (PubChem CID 90142280) has the molecular formula C22H23N3O2 and a molecular weight of 361.45 g/mol. Its IUPAC name is 4-[4-(1-tert-butyl-4-methylpyrazol-5-yl)-3-methylphenoxy]furo[3,2-c]pyridine.

Molecular Properties

Compound Name4-[4-(1-tert-butyl-4-methylpyrazol-5-yl)-3-methylphenoxy]furo[3,2-c]pyridine
PubChem CID90142280
Molecular FormulaC22H23N3O2
Molecular Weight361.45 g/mol
Exact Mass361.18
IUPAC Name4-[4-(1-tert-butyl-4-methylpyrazol-5-yl)-3-methylphenoxy]furo[3,2-c]pyridine
SMILESCc1cc(Oc2nccc3occc23)ccc1-c1c(C)cnn1C(C)(C)C
InChIInChI=1S/C22H23N3O2/c1-14-12-16(27-21-18-9-11-26-19(18)8-10-23-21)6-7-17(14)20-15(2)13-24-25(20)22(3,4)5/h6-13H,1-5H3
InChIKeyGNQPYOOQTOYIEY-UHFFFAOYSA-N
XLogP5.86
TPSA53.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500361.45
LogP ≤ 55.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-[4-(3,5-Dimethylpyridazin-4-yl)-3-methylphenoxy]furo[3,2-c]pyridine
CID 75201961
4-[4-(4-Ethoxy-6-methylpyrimidin-5-yl)-3-methylphenoxy]furo[3,2-c]pyridine
CID 90134199
5-(4-Furo[3,2-c]pyridin-4-yloxy-2-methylphenyl)-6-methylpyridin-3-amine
CID 130442471
4-[4-(6-Methoxy-2-methyl-3-pyridinyl)-3-methylphenoxy]furo[3,2-c]pyridine
CID 130442508
4-[4-(6-Methoxyisoquinolin-5-yl)phenoxy]furo[3,2-c]pyridine
CID 130442561
4-[4-(2-Tert-butylpyrazol-3-yl)-3-methylphenoxy]furo[3,2-c]pyridine
CID 145982261
4-[3-Methyl-4-(2-methylpyrazol-3-yl)phenoxy]furo[3,2-c]pyridine
CID 145988779
4-[4-(2-Methylpyrazol-3-yl)phenoxy]furo[3,2-c]pyridine
CID 145979741
5-(1-Methylpyrazol-4-yl)-3-(3-phenoxyphenyl)furo[3,2-b]pyridine
CID 135747626
4-[4-(2-Tert-butylpyrazol-3-yl)phenoxy]furo[3,2-c]pyridine
CID 145990190
4-[3-Methyl-4-([1,2,4]triazolo[1,5-a]pyrazin-5-yl)phenoxy]furo[3,2-c]pyridine
CID 145992269
5-(4-Furo[3,2-c]pyridin-4-yloxy-2-methylphenyl)pyridine-3-carboxamide
CID 146025697

Frequently Asked Questions

What is the IUPAC name of 4-[4-(1-tert-butyl-4-methylpyrazol-5-yl)-3-methylphenoxy]furo[3,2-c]pyridine?
The IUPAC name of 4-[4-(1-tert-butyl-4-methylpyrazol-5-yl)-3-methylphenoxy]furo[3,2-c]pyridine (CID 90142280) is 4-[4-(1-tert-butyl-4-methylpyrazol-5-yl)-3-methylphenoxy]furo[3,2-c]pyridine.
What is the SMILES notation for 4-[4-(1-tert-butyl-4-methylpyrazol-5-yl)-3-methylphenoxy]furo[3,2-c]pyridine?
The canonical SMILES for 4-[4-(1-tert-butyl-4-methylpyrazol-5-yl)-3-methylphenoxy]furo[3,2-c]pyridine is Cc1cc(Oc2nccc3occc23)ccc1-c1c(C)cnn1C(C)(C)C.
What is the InChIKey of 4-[4-(1-tert-butyl-4-methylpyrazol-5-yl)-3-methylphenoxy]furo[3,2-c]pyridine?
The InChIKey is GNQPYOOQTOYIEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O2/c1-14-12-16(27-21-18-9-11-26-19(18)8-10-23-21)6-7-17(14)20-15(2)13-24-25(20)22(3,4)5/h6-13H,1-5H3.
What are the key properties of 4-[4-(1-tert-butyl-4-methylpyrazol-5-yl)-3-methylphenoxy]furo[3,2-c]pyridine?
4-[4-(1-tert-butyl-4-methylpyrazol-5-yl)-3-methylphenoxy]furo[3,2-c]pyridine has a molecular weight of 361.45 g/mol, XLogP of 5.86, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(1-tert-butyl-4-methylpyrazol-5-yl)-3-methylphenoxy]furo[3,2-c]pyridine is sourced from PubChem (CID 90142280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).