3,4-dimethyl-6-(3-propan-2-ylimidazol-4-yl)-2-propylpyrazolo[3,4-b]pyridine

C17H23N5 — CID 170508115

IUPAC3,4-dimethyl-6-(3-propan-2-ylimidazol-4-yl)-2-propylpyrazolo[3,4-b]pyridine
SMILESCCCn1nc2nc(-c3cncn3C(C)C)cc(C)c2c1C
InChIInChI=1S/C17H23N5/c1-6-7-22-13(5)16-12(4)8-14(19-17(16)20-22)15-9-18-10-21(15)11(2)3/h8-11H,6-7H2,1-5H3
InChIKeyZEOIXLUKURBMKH-UHFFFAOYSA-N
MW297.41 g/mol
LogP3.90
Rot. Bonds4

About 3,4-dimethyl-6-(3-propan-2-ylimidazol-4-yl)-2-propylpyrazolo[3,4-b]pyridine

3,4-dimethyl-6-(3-propan-2-ylimidazol-4-yl)-2-propylpyrazolo[3,4-b]pyridine (PubChem CID 170508115) has the molecular formula C17H23N5 and a molecular weight of 297.41 g/mol. Its IUPAC name is 3,4-dimethyl-6-(3-propan-2-ylimidazol-4-yl)-2-propylpyrazolo[3,4-b]pyridine.

Molecular Properties

Compound Name3,4-dimethyl-6-(3-propan-2-ylimidazol-4-yl)-2-propylpyrazolo[3,4-b]pyridine
PubChem CID170508115
Molecular FormulaC17H23N5
Molecular Weight297.41 g/mol
Exact Mass297.20
IUPAC Name3,4-dimethyl-6-(3-propan-2-ylimidazol-4-yl)-2-propylpyrazolo[3,4-b]pyridine
SMILESCCCn1nc2nc(-c3cncn3C(C)C)cc(C)c2c1C
InChIInChI=1S/C17H23N5/c1-6-7-22-13(5)16-12(4)8-14(19-17(16)20-22)15-9-18-10-21(15)11(2)3/h8-11H,6-7H2,1-5H3
InChIKeyZEOIXLUKURBMKH-UHFFFAOYSA-N
XLogP3.90
TPSA48.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.41
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-[3-[(1S)-1-(4-fluorophenyl)propyl]imidazol-4-yl]-3,5-dimethyl-1-propylpyrazole
CID 92612156
4-chloro-2-(3-propan-2-ylimidazol-4-yl)-6-propylpyrimidine
CID 66131897
2-methyl-4-(3-propan-2-ylimidazol-4-yl)pyrimidine
CID 145049102
4-(3-propan-2-ylimidazol-4-yl)-2-propyl-1,3-thiazol-5-amine
CID 66132316
6-cyclopropyl-2-(3-propan-2-ylimidazol-4-yl)-N-propylpyrimidin-4-amine
CID 66164544
5-(2,3-dimethylbutyl)-1-propan-2-ylimidazole
CID 59650396
1-propan-2-yl-5-propylimidazole
CID 139308338
3-ethyl-2-methyl-5-(3-propan-2-ylimidazol-4-yl)imidazol-4-amine
CID 66131321
4-chloro-6-ethyl-5-methyl-2-(3-propan-2-ylimidazol-4-yl)pyrimidine
CID 66130304
2-methyl-1-[3-(3-propan-2-ylimidazol-4-yl)-1,2-oxazol-5-yl]propan-1-amine
CID 114202314
4-[3-[(2S)-2-(3,5-dimethylpyrazol-1-yl)propyl]imidazol-4-yl]-3,5-dimethyl-1-propylpyrazole
CID 92612183
6-(3-chloro-4,5-dimethoxyphenyl)-2-ethyl-3,4-dimethylpyrazolo[3,4-b]pyridine
CID 169417551

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethyl-6-(3-propan-2-ylimidazol-4-yl)-2-propylpyrazolo[3,4-b]pyridine?
The IUPAC name of 3,4-dimethyl-6-(3-propan-2-ylimidazol-4-yl)-2-propylpyrazolo[3,4-b]pyridine (CID 170508115) is 3,4-dimethyl-6-(3-propan-2-ylimidazol-4-yl)-2-propylpyrazolo[3,4-b]pyridine.
What is the SMILES notation for 3,4-dimethyl-6-(3-propan-2-ylimidazol-4-yl)-2-propylpyrazolo[3,4-b]pyridine?
The canonical SMILES for 3,4-dimethyl-6-(3-propan-2-ylimidazol-4-yl)-2-propylpyrazolo[3,4-b]pyridine is CCCn1nc2nc(-c3cncn3C(C)C)cc(C)c2c1C.
What is the InChIKey of 3,4-dimethyl-6-(3-propan-2-ylimidazol-4-yl)-2-propylpyrazolo[3,4-b]pyridine?
The InChIKey is ZEOIXLUKURBMKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5/c1-6-7-22-13(5)16-12(4)8-14(19-17(16)20-22)15-9-18-10-21(15)11(2)3/h8-11H,6-7H2,1-5H3.
What are the key properties of 3,4-dimethyl-6-(3-propan-2-ylimidazol-4-yl)-2-propylpyrazolo[3,4-b]pyridine?
3,4-dimethyl-6-(3-propan-2-ylimidazol-4-yl)-2-propylpyrazolo[3,4-b]pyridine has a molecular weight of 297.41 g/mol, XLogP of 3.90, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethyl-6-(3-propan-2-ylimidazol-4-yl)-2-propylpyrazolo[3,4-b]pyridine is sourced from PubChem (CID 170508115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).