5-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]-1-propan-2-ylpyrazolo[3,4-c]pyridine

C21H23N5 — CID 165414857

IUPAC5-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]-1-propan-2-ylpyrazolo[3,4-c]pyridine
SMILESCC(C)n1ncc2cc(CCc3nc(-c4ccccc4)cn3C)ncc21
InChIInChI=1S/C21H23N5/c1-15(2)26-20-13-22-18(11-17(20)12-23-26)9-10-21-24-19(14-25(21)3)16-7-5-4-6-8-16/h4-8,11-15H,9-10H2,1-3H3
InChIKeyYXDMITBKPLZETG-UHFFFAOYSA-N
MW345.45 g/mol
LogP4.20
Rot. Bonds5

About 5-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]-1-propan-2-ylpyrazolo[3,4-c]pyridine

5-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]-1-propan-2-ylpyrazolo[3,4-c]pyridine (PubChem CID 165414857) has the molecular formula C21H23N5 and a molecular weight of 345.45 g/mol. Its IUPAC name is 5-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]-1-propan-2-ylpyrazolo[3,4-c]pyridine.

Molecular Properties

Compound Name5-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]-1-propan-2-ylpyrazolo[3,4-c]pyridine
PubChem CID165414857
Molecular FormulaC21H23N5
Molecular Weight345.45 g/mol
Exact Mass345.20
IUPAC Name5-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]-1-propan-2-ylpyrazolo[3,4-c]pyridine
SMILESCC(C)n1ncc2cc(CCc3nc(-c4ccccc4)cn3C)ncc21
InChIInChI=1S/C21H23N5/c1-15(2)26-20-13-22-18(11-17(20)12-23-26)9-10-21-24-19(14-25(21)3)16-7-5-4-6-8-16/h4-8,11-15H,9-10H2,1-3H3
InChIKeyYXDMITBKPLZETG-UHFFFAOYSA-N
XLogP4.20
TPSA48.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.45
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]-1-propan-2-ylpyrazolo[3,4-c]pyridine?
The IUPAC name of 5-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]-1-propan-2-ylpyrazolo[3,4-c]pyridine (CID 165414857) is 5-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]-1-propan-2-ylpyrazolo[3,4-c]pyridine.
What is the SMILES notation for 5-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]-1-propan-2-ylpyrazolo[3,4-c]pyridine?
The canonical SMILES for 5-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]-1-propan-2-ylpyrazolo[3,4-c]pyridine is CC(C)n1ncc2cc(CCc3nc(-c4ccccc4)cn3C)ncc21.
What is the InChIKey of 5-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]-1-propan-2-ylpyrazolo[3,4-c]pyridine?
The InChIKey is YXDMITBKPLZETG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5/c1-15(2)26-20-13-22-18(11-17(20)12-23-26)9-10-21-24-19(14-25(21)3)16-7-5-4-6-8-16/h4-8,11-15H,9-10H2,1-3H3.
What are the key properties of 5-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]-1-propan-2-ylpyrazolo[3,4-c]pyridine?
5-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]-1-propan-2-ylpyrazolo[3,4-c]pyridine has a molecular weight of 345.45 g/mol, XLogP of 4.20, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]-1-propan-2-ylpyrazolo[3,4-c]pyridine is sourced from PubChem (CID 165414857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).