7-[4-[2-[5-(2,2-dimethylbutyl)-1H-imidazol-2-yl]ethyl]phenyl]-1,4,5,6-tetrahydropyrazolo[5,4-b]pyridine

C23H31N5 — CID 25026058

IUPAC7-[4-[2-[5-(2,2-dimethylbutyl)-1H-imidazol-2-yl]ethyl]phenyl]-1,4,5,6-tetrahydropyrazolo[5,4-b]pyridine
SMILESCCC(C)(C)Cc1cnc(CCc2ccc(N3CCCc4cn[nH]c43)cc2)[nH]1
InChIInChI=1S/C23H31N5/c1-4-23(2,3)14-19-16-24-21(26-19)12-9-17-7-10-20(11-8-17)28-13-5-6-18-15-25-27-22(18)28/h7-8,10-11,15-16H,4-6,9,12-14H2,1-3H3,(H,24,26)(H,25,27)
InChIKeyBZQGYQLMMTVEDK-UHFFFAOYSA-N
MW377.54 g/mol
LogP4.98
Rot. Bonds7

About 7-[4-[2-[5-(2,2-dimethylbutyl)-1H-imidazol-2-yl]ethyl]phenyl]-1,4,5,6-tetrahydropyrazolo[5,4-b]pyridine

7-[4-[2-[5-(2,2-dimethylbutyl)-1H-imidazol-2-yl]ethyl]phenyl]-1,4,5,6-tetrahydropyrazolo[5,4-b]pyridine (PubChem CID 25026058) has the molecular formula C23H31N5 and a molecular weight of 377.54 g/mol. Its IUPAC name is 7-[4-[2-[5-(2,2-dimethylbutyl)-1H-imidazol-2-yl]ethyl]phenyl]-1,4,5,6-tetrahydropyrazolo[5,4-b]pyridine.

Molecular Properties

Compound Name7-[4-[2-[5-(2,2-dimethylbutyl)-1H-imidazol-2-yl]ethyl]phenyl]-1,4,5,6-tetrahydropyrazolo[5,4-b]pyridine
PubChem CID25026058
Molecular FormulaC23H31N5
Molecular Weight377.54 g/mol
Exact Mass377.26
IUPAC Name7-[4-[2-[5-(2,2-dimethylbutyl)-1H-imidazol-2-yl]ethyl]phenyl]-1,4,5,6-tetrahydropyrazolo[5,4-b]pyridine
SMILESCCC(C)(C)Cc1cnc(CCc2ccc(N3CCCc4cn[nH]c43)cc2)[nH]1
InChIInChI=1S/C23H31N5/c1-4-23(2,3)14-19-16-24-21(26-19)12-9-17-7-10-20(11-8-17)28-13-5-6-18-15-25-27-22(18)28/h7-8,10-11,15-16H,4-6,9,12-14H2,1-3H3,(H,24,26)(H,25,27)
InChIKeyBZQGYQLMMTVEDK-UHFFFAOYSA-N
XLogP4.98
TPSA60.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.54
LogP ≤ 54.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-[4-[2-[5-(2,2-dimethylbutyl)-1H-imidazol-2-yl]ethyl]phenyl]-1,4,5,6-tetrahydropyrazolo[5,4-b]pyridine?
The IUPAC name of 7-[4-[2-[5-(2,2-dimethylbutyl)-1H-imidazol-2-yl]ethyl]phenyl]-1,4,5,6-tetrahydropyrazolo[5,4-b]pyridine (CID 25026058) is 7-[4-[2-[5-(2,2-dimethylbutyl)-1H-imidazol-2-yl]ethyl]phenyl]-1,4,5,6-tetrahydropyrazolo[5,4-b]pyridine.
What is the SMILES notation for 7-[4-[2-[5-(2,2-dimethylbutyl)-1H-imidazol-2-yl]ethyl]phenyl]-1,4,5,6-tetrahydropyrazolo[5,4-b]pyridine?
The canonical SMILES for 7-[4-[2-[5-(2,2-dimethylbutyl)-1H-imidazol-2-yl]ethyl]phenyl]-1,4,5,6-tetrahydropyrazolo[5,4-b]pyridine is CCC(C)(C)Cc1cnc(CCc2ccc(N3CCCc4cn[nH]c43)cc2)[nH]1.
What is the InChIKey of 7-[4-[2-[5-(2,2-dimethylbutyl)-1H-imidazol-2-yl]ethyl]phenyl]-1,4,5,6-tetrahydropyrazolo[5,4-b]pyridine?
The InChIKey is BZQGYQLMMTVEDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N5/c1-4-23(2,3)14-19-16-24-21(26-19)12-9-17-7-10-20(11-8-17)28-13-5-6-18-15-25-27-22(18)28/h7-8,10-11,15-16H,4-6,9,12-14H2,1-3H3,(H,24,26)(H,25,27).
What are the key properties of 7-[4-[2-[5-(2,2-dimethylbutyl)-1H-imidazol-2-yl]ethyl]phenyl]-1,4,5,6-tetrahydropyrazolo[5,4-b]pyridine?
7-[4-[2-[5-(2,2-dimethylbutyl)-1H-imidazol-2-yl]ethyl]phenyl]-1,4,5,6-tetrahydropyrazolo[5,4-b]pyridine has a molecular weight of 377.54 g/mol, XLogP of 4.98, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[4-[2-[5-(2,2-dimethylbutyl)-1H-imidazol-2-yl]ethyl]phenyl]-1,4,5,6-tetrahydropyrazolo[5,4-b]pyridine is sourced from PubChem (CID 25026058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).