3-methyl-5-[[2-(1-methylimidazol-2-yl)piperazin-1-yl]methyl]-2H-pyrazolo[3,4-b]pyridine;hydrochloride

C16H22ClN7 — CID 120912179

IUPAC3-methyl-5-[[2-(1-methylimidazol-2-yl)piperazin-1-yl]methyl]-2H-pyrazolo[3,4-b]pyridine;hydrochloride
SMILESCc1[nH]nc2ncc(CN3CCNCC3c3nccn3C)cc12.Cl
InChIInChI=1S/C16H21N7.ClH/c1-11-13-7-12(8-19-15(13)21-20-11)10-23-6-3-17-9-14(23)16-18-4-5-22(16)2;/h4-5,7-8,14,17H,3,6,9-10H2,1-2H3,(H,19,20,21);1H
InChIKeyBITSDWIRQYGCGI-UHFFFAOYSA-N
MW347.85 g/mol
LogP1.57
Rot. Bonds3

About 3-methyl-5-[[2-(1-methylimidazol-2-yl)piperazin-1-yl]methyl]-2H-pyrazolo[3,4-b]pyridine;hydrochloride

3-methyl-5-[[2-(1-methylimidazol-2-yl)piperazin-1-yl]methyl]-2H-pyrazolo[3,4-b]pyridine;hydrochloride (PubChem CID 120912179) has the molecular formula C16H22ClN7 and a molecular weight of 347.85 g/mol. Its IUPAC name is 3-methyl-5-[[2-(1-methylimidazol-2-yl)piperazin-1-yl]methyl]-2H-pyrazolo[3,4-b]pyridine;hydrochloride.

Molecular Properties

Compound Name3-methyl-5-[[2-(1-methylimidazol-2-yl)piperazin-1-yl]methyl]-2H-pyrazolo[3,4-b]pyridine;hydrochloride
PubChem CID120912179
Molecular FormulaC16H22ClN7
Molecular Weight347.85 g/mol
Exact Mass347.16
IUPAC Name3-methyl-5-[[2-(1-methylimidazol-2-yl)piperazin-1-yl]methyl]-2H-pyrazolo[3,4-b]pyridine;hydrochloride
SMILESCc1[nH]nc2ncc(CN3CCNCC3c3nccn3C)cc12.Cl
InChIInChI=1S/C16H21N7.ClH/c1-11-13-7-12(8-19-15(13)21-20-11)10-23-6-3-17-9-14(23)16-18-4-5-22(16)2;/h4-5,7-8,14,17H,3,6,9-10H2,1-2H3,(H,19,20,21);1H
InChIKeyBITSDWIRQYGCGI-UHFFFAOYSA-N
XLogP1.57
TPSA74.66 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.85
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-[(4-fluorophenyl)methyl]-2-(1-methylimidazol-2-yl)piperazine;hydrochloride
CID 120869959
1-[(3,5-dimethoxyphenyl)methyl]-2-(1-methylimidazol-2-yl)piperazine
CID 120911740
3-fluoro-5-[[2-(1-methylimidazol-2-yl)piperazin-1-yl]methyl]phenol;hydrochloride
CID 120912083
1-[[4-(difluoromethoxy)-3,5-dimethylphenyl]methyl]-2-(1-methylimidazol-2-yl)piperazine
CID 120911748
5-methyl-2-[[2-(1-methylimidazol-2-yl)piperazin-1-yl]methyl]-1,3-oxazole;dihydrochloride
CID 120870642
N-methyl-5-[[2-(1-methylimidazol-2-yl)piperazin-1-yl]methyl]-N-propan-2-ylpyridin-2-amine;hydrochloride
CID 120912459
8-methyl-6-[[2-(1-methylimidazol-2-yl)piperazin-1-yl]methyl]quinoline;hydrochloride
CID 120912183
2-(1-methylimidazol-2-yl)-1-[[1-(2-methylpropyl)pyrazol-4-yl]methyl]piperazine
CID 120912226
1-[(1-tert-butylpyrazol-4-yl)methyl]-2-(1-methylimidazol-2-yl)piperazine
CID 120911966
2-(1-methylimidazol-2-yl)-1-[(3-phenyl-1H-pyrazol-5-yl)methyl]piperazine;hydrochloride
CID 120912333
1-[(1,3-dimethylpyrazol-4-yl)methyl]-2-(1-methylimidazol-2-yl)piperazine;hydrochloride
CID 120912485
2-(1-methylimidazol-2-yl)-1-[[4-[(1-methylimidazol-2-yl)methoxy]phenyl]methyl]piperazine
CID 120871475

Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-[[2-(1-methylimidazol-2-yl)piperazin-1-yl]methyl]-2H-pyrazolo[3,4-b]pyridine;hydrochloride?
The IUPAC name of 3-methyl-5-[[2-(1-methylimidazol-2-yl)piperazin-1-yl]methyl]-2H-pyrazolo[3,4-b]pyridine;hydrochloride (CID 120912179) is 3-methyl-5-[[2-(1-methylimidazol-2-yl)piperazin-1-yl]methyl]-2H-pyrazolo[3,4-b]pyridine;hydrochloride.
What is the SMILES notation for 3-methyl-5-[[2-(1-methylimidazol-2-yl)piperazin-1-yl]methyl]-2H-pyrazolo[3,4-b]pyridine;hydrochloride?
The canonical SMILES for 3-methyl-5-[[2-(1-methylimidazol-2-yl)piperazin-1-yl]methyl]-2H-pyrazolo[3,4-b]pyridine;hydrochloride is Cc1[nH]nc2ncc(CN3CCNCC3c3nccn3C)cc12.Cl.
What is the InChIKey of 3-methyl-5-[[2-(1-methylimidazol-2-yl)piperazin-1-yl]methyl]-2H-pyrazolo[3,4-b]pyridine;hydrochloride?
The InChIKey is BITSDWIRQYGCGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N7.ClH/c1-11-13-7-12(8-19-15(13)21-20-11)10-23-6-3-17-9-14(23)16-18-4-5-22(16)2;/h4-5,7-8,14,17H,3,6,9-10H2,1-2H3,(H,19,20,21);1H.
What are the key properties of 3-methyl-5-[[2-(1-methylimidazol-2-yl)piperazin-1-yl]methyl]-2H-pyrazolo[3,4-b]pyridine;hydrochloride?
3-methyl-5-[[2-(1-methylimidazol-2-yl)piperazin-1-yl]methyl]-2H-pyrazolo[3,4-b]pyridine;hydrochloride has a molecular weight of 347.85 g/mol, XLogP of 1.57, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-[[2-(1-methylimidazol-2-yl)piperazin-1-yl]methyl]-2H-pyrazolo[3,4-b]pyridine;hydrochloride is sourced from PubChem (CID 120912179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).