3-(4-tert-butylphenyl)-5-(1-methylpyrazol-3-yl)furo[3,2-b]pyridine

C21H21N3O — CID 162671967

IUPAC3-(4-tert-butylphenyl)-5-(1-methylpyrazol-3-yl)furo[3,2-b]pyridine
SMILESCn1ccc(-c2ccc3occ(-c4ccc(C(C)(C)C)cc4)c3n2)n1
InChIInChI=1S/C21H21N3O/c1-21(2,3)15-7-5-14(6-8-15)16-13-25-19-10-9-17(22-20(16)19)18-11-12-24(4)23-18/h5-13H,1-4H3
InChIKeyWLFZENAUOISWEU-UHFFFAOYSA-N
MW331.42 g/mol
LogP5.19
Rot. Bonds2

About 3-(4-tert-butylphenyl)-5-(1-methylpyrazol-3-yl)furo[3,2-b]pyridine

3-(4-tert-butylphenyl)-5-(1-methylpyrazol-3-yl)furo[3,2-b]pyridine (PubChem CID 162671967) has the molecular formula C21H21N3O and a molecular weight of 331.42 g/mol. Its IUPAC name is 3-(4-tert-butylphenyl)-5-(1-methylpyrazol-3-yl)furo[3,2-b]pyridine.

Molecular Properties

Compound Name3-(4-tert-butylphenyl)-5-(1-methylpyrazol-3-yl)furo[3,2-b]pyridine
PubChem CID162671967
Molecular FormulaC21H21N3O
Molecular Weight331.42 g/mol
Exact Mass331.17
IUPAC Name3-(4-tert-butylphenyl)-5-(1-methylpyrazol-3-yl)furo[3,2-b]pyridine
SMILESCn1ccc(-c2ccc3occ(-c4ccc(C(C)(C)C)cc4)c3n2)n1
InChIInChI=1S/C21H21N3O/c1-21(2,3)15-7-5-14(6-8-15)16-13-25-19-10-9-17(22-20(16)19)18-11-12-24(4)23-18/h5-13H,1-4H3
InChIKeyWLFZENAUOISWEU-UHFFFAOYSA-N
XLogP5.19
TPSA43.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500331.42
LogP ≤ 55.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-(1-Methyl-1H-pyrazol-4-yl)-3-(3-(pyridin-4-yl)phenyl)furo[3,2-b]pyridine
CID 155891794
3-(4-Tert-butylphenyl)-5-(1H-pyrazol-4-yl)furo[3,2-b]pyridine
CID 118493227
6-[4-[4-(2-Methoxyphenyl)piperazin-1-yl]butoxy]pyrazolo[1,5-a]pyridine-3-carbaldehyde
CID 25072941
3-[(2S,4S)-2-ethyloxan-4-yl]-6,12-bis(1-methylpyrazol-4-yl)-8-oxa-3,5,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5,10,12-pentaen-4-one
CID 71681904
3-[(2S)-2-amino-3-phenylpropoxy]-5-[3-(furan-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]pyridine
CID 23647441
5-[4-[4-(2-Methoxyphenyl)piperazin-1-yl]butoxy]pyrazolo[1,5-a]pyridine-3-carbaldehyde
CID 25071385
3-[(2S,4S)-2-ethyloxan-4-yl]-6,12-bis(1-methylpyrazol-4-yl)-8-oxa-3,5,11-triazatricyclo[7.4.0.02,7]trideca-1(13),2(7),5,9,11-pentaen-4-one
CID 71681741
3-naphthalen-2-yl-5-(1H-pyrazol-4-yl)furo[3,2-b]pyridine
CID 92045017
3-phenyl-5-(1H-pyrazol-4-yl)furo[3,2-b]pyridine
CID 118486408
3-(4-phenylphenyl)-5-(1H-pyrazol-4-yl)furo[3,2-b]pyridine
CID 123481881
N-[(E)-[3-(1-benzofuran-2-yl)-1-phenylpyrazol-4-yl]methylideneamino]pyridine-3-carboxamide
CID 6905845
6-(5-Methoxy-2-pyridinyl)-12-(1-methylpyrazol-4-yl)-3-[2-(oxolan-2-yl)ethyl]-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5,10,12-pentaen-4-one
CID 71681253

Frequently Asked Questions

What is the IUPAC name of 3-(4-tert-butylphenyl)-5-(1-methylpyrazol-3-yl)furo[3,2-b]pyridine?
The IUPAC name of 3-(4-tert-butylphenyl)-5-(1-methylpyrazol-3-yl)furo[3,2-b]pyridine (CID 162671967) is 3-(4-tert-butylphenyl)-5-(1-methylpyrazol-3-yl)furo[3,2-b]pyridine.
What is the SMILES notation for 3-(4-tert-butylphenyl)-5-(1-methylpyrazol-3-yl)furo[3,2-b]pyridine?
The canonical SMILES for 3-(4-tert-butylphenyl)-5-(1-methylpyrazol-3-yl)furo[3,2-b]pyridine is Cn1ccc(-c2ccc3occ(-c4ccc(C(C)(C)C)cc4)c3n2)n1.
What is the InChIKey of 3-(4-tert-butylphenyl)-5-(1-methylpyrazol-3-yl)furo[3,2-b]pyridine?
The InChIKey is WLFZENAUOISWEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O/c1-21(2,3)15-7-5-14(6-8-15)16-13-25-19-10-9-17(22-20(16)19)18-11-12-24(4)23-18/h5-13H,1-4H3.
What are the key properties of 3-(4-tert-butylphenyl)-5-(1-methylpyrazol-3-yl)furo[3,2-b]pyridine?
3-(4-tert-butylphenyl)-5-(1-methylpyrazol-3-yl)furo[3,2-b]pyridine has a molecular weight of 331.42 g/mol, XLogP of 5.19, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-tert-butylphenyl)-5-(1-methylpyrazol-3-yl)furo[3,2-b]pyridine is sourced from PubChem (CID 162671967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).