6-tert-butyl-1-(3-methoxyphenyl)-3-propan-2-ylpyrazolo[5,4-b]pyridine

C20H25N3O — CID 170395288

IUPAC6-tert-butyl-1-(3-methoxyphenyl)-3-propan-2-ylpyrazolo[5,4-b]pyridine
SMILESCOc1cccc(-n2nc(C(C)C)c3ccc(C(C)(C)C)nc32)c1
InChIInChI=1S/C20H25N3O/c1-13(2)18-16-10-11-17(20(3,4)5)21-19(16)23(22-18)14-8-7-9-15(12-14)24-6/h7-13H,1-6H3
InChIKeyBTRQAEKEGIEKEX-UHFFFAOYSA-N
MW323.44 g/mol
LogP4.85
Rot. Bonds3

About 6-tert-butyl-1-(3-methoxyphenyl)-3-propan-2-ylpyrazolo[5,4-b]pyridine

6-tert-butyl-1-(3-methoxyphenyl)-3-propan-2-ylpyrazolo[5,4-b]pyridine (PubChem CID 170395288) has the molecular formula C20H25N3O and a molecular weight of 323.44 g/mol. Its IUPAC name is 6-tert-butyl-1-(3-methoxyphenyl)-3-propan-2-ylpyrazolo[5,4-b]pyridine.

Molecular Properties

Compound Name6-tert-butyl-1-(3-methoxyphenyl)-3-propan-2-ylpyrazolo[5,4-b]pyridine
PubChem CID170395288
Molecular FormulaC20H25N3O
Molecular Weight323.44 g/mol
Exact Mass323.20
IUPAC Name6-tert-butyl-1-(3-methoxyphenyl)-3-propan-2-ylpyrazolo[5,4-b]pyridine
SMILESCOc1cccc(-n2nc(C(C)C)c3ccc(C(C)(C)C)nc32)c1
InChIInChI=1S/C20H25N3O/c1-13(2)18-16-10-11-17(20(3,4)5)21-19(16)23(22-18)14-8-7-9-15(12-14)24-6/h7-13H,1-6H3
InChIKeyBTRQAEKEGIEKEX-UHFFFAOYSA-N
XLogP4.85
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.44
LogP ≤ 54.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

6-(3-methoxyphenyl)-4-propan-2-yl-2H-pyrazolo[3,4-c]pyrazol-3-amine
CID 137012728
3-tert-butyl-1-(4-methoxyphenyl)-5-propan-2-ylpyrazole
CID 59766629
2-[1-(3-methoxyphenyl)-3,5-dimethylpyrazol-4-yl]-N-methylpropan-1-amine
CID 114799034
1-(3-methoxyphenyl)-5-propan-2-yltriazol-4-amine
CID 79501179
3-[1-(3-methoxyphenyl)-3,5-dimethylpyrazol-4-yl]-2-methylpropan-1-amine
CID 114799027
3-tert-butyl-1-(3-ethoxyphenyl)pyrazol-5-amine
CID 58011098
1-tert-butyl-7-methoxynaphthalene
CID 608110
3-(3-methoxyphenyl)triazol-4-amine
CID 105444137
2-[3-[4-(4-tert-butylphenyl)-5-(2-methylbutan-2-yl)-3-propan-2-ylpyrazol-1-yl]phenoxy]-9-(4-methoxy-2-pyridinyl)carbazole
CID 153415787
CID 172849383
CID 172849383
3-N-ethyl-1-(3-methoxyphenyl)-1,2,4-triazole-3,5-diamine
CID 114797790
1-(3-methoxyphenyl)-5-(2-methylpropyl)-1,2,4-triazole-3-carboxylic acid
CID 125457269

Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-1-(3-methoxyphenyl)-3-propan-2-ylpyrazolo[5,4-b]pyridine?
The IUPAC name of 6-tert-butyl-1-(3-methoxyphenyl)-3-propan-2-ylpyrazolo[5,4-b]pyridine (CID 170395288) is 6-tert-butyl-1-(3-methoxyphenyl)-3-propan-2-ylpyrazolo[5,4-b]pyridine.
What is the SMILES notation for 6-tert-butyl-1-(3-methoxyphenyl)-3-propan-2-ylpyrazolo[5,4-b]pyridine?
The canonical SMILES for 6-tert-butyl-1-(3-methoxyphenyl)-3-propan-2-ylpyrazolo[5,4-b]pyridine is COc1cccc(-n2nc(C(C)C)c3ccc(C(C)(C)C)nc32)c1.
What is the InChIKey of 6-tert-butyl-1-(3-methoxyphenyl)-3-propan-2-ylpyrazolo[5,4-b]pyridine?
The InChIKey is BTRQAEKEGIEKEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O/c1-13(2)18-16-10-11-17(20(3,4)5)21-19(16)23(22-18)14-8-7-9-15(12-14)24-6/h7-13H,1-6H3.
What are the key properties of 6-tert-butyl-1-(3-methoxyphenyl)-3-propan-2-ylpyrazolo[5,4-b]pyridine?
6-tert-butyl-1-(3-methoxyphenyl)-3-propan-2-ylpyrazolo[5,4-b]pyridine has a molecular weight of 323.44 g/mol, XLogP of 4.85, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-1-(3-methoxyphenyl)-3-propan-2-ylpyrazolo[5,4-b]pyridine is sourced from PubChem (CID 170395288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).