5-[[2-(3-chlorophenyl)piperazin-1-yl]methyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine;hydrochloride

C20H25Cl2N5 — CID 120780080

IUPAC5-[[2-(3-chlorophenyl)piperazin-1-yl]methyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine;hydrochloride
SMILESCC(C)n1ncc2cc(CN3CCNCC3c3cccc(Cl)c3)cnc21.Cl
InChIInChI=1S/C20H24ClN5.ClH/c1-14(2)26-20-17(11-24-26)8-15(10-23-20)13-25-7-6-22-12-19(25)16-4-3-5-18(21)9-16;/h3-5,8-11,14,19,22H,6-7,12-13H2,1-2H3;1H
InChIKeyQHVGKSNFWWWPBK-UHFFFAOYSA-N
MW406.36 g/mol
LogP4.23
Rot. Bonds4

About 5-[[2-(3-chlorophenyl)piperazin-1-yl]methyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine;hydrochloride

5-[[2-(3-chlorophenyl)piperazin-1-yl]methyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine;hydrochloride (PubChem CID 120780080) has the molecular formula C20H25Cl2N5 and a molecular weight of 406.36 g/mol. Its IUPAC name is 5-[[2-(3-chlorophenyl)piperazin-1-yl]methyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine;hydrochloride.

Molecular Properties

Compound Name5-[[2-(3-chlorophenyl)piperazin-1-yl]methyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine;hydrochloride
PubChem CID120780080
Molecular FormulaC20H25Cl2N5
Molecular Weight406.36 g/mol
Exact Mass405.15
IUPAC Name5-[[2-(3-chlorophenyl)piperazin-1-yl]methyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine;hydrochloride
SMILESCC(C)n1ncc2cc(CN3CCNCC3c3cccc(Cl)c3)cnc21.Cl
InChIInChI=1S/C20H24ClN5.ClH/c1-14(2)26-20-17(11-24-26)8-15(10-23-20)13-25-7-6-22-12-19(25)16-4-3-5-18(21)9-16;/h3-5,8-11,14,19,22H,6-7,12-13H2,1-2H3;1H
InChIKeyQHVGKSNFWWWPBK-UHFFFAOYSA-N
XLogP4.23
TPSA45.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.36
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-[[2-(3-chlorophenyl)piperazin-1-yl]methyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine;hydrochloride with MolForge

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Related Compounds

5-[[2-(4-ethylphenyl)piperazin-1-yl]methyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine
CID 120769010
2-(3-chlorophenyl)-1-[(6-methyl-3-pyridinyl)methyl]piperazine
CID 120780051
2-(3-chlorophenyl)-1-[(5-fluoro-3-pyridinyl)methyl]piperazine;hydrochloride
CID 120780146
2-(3-chlorophenyl)-1-[(1-propylpyrazol-4-yl)methyl]piperazine;hydrochloride
CID 120780194
2-(3-chlorophenyl)-1-(pyridin-3-ylmethyl)piperazine
CID 120780257
3-[[2-(3-chlorophenyl)piperazin-1-yl]methyl]phenol;hydrochloride
CID 120780112
2-(3-chlorophenyl)-1-[(3-methyl-1-propan-2-ylpyrazol-4-yl)methyl]piperazine;hydrochloride
CID 120846864
2-[[2-(3-chlorophenyl)piperazin-1-yl]methyl]-5-methyl-1,3-oxazole
CID 120770952
5-[[2-(3-chlorophenyl)piperazin-1-yl]methyl]-2,4-dimethyl-1,3-thiazole
CID 120780059
3-[[2-(3-fluorophenyl)piperazin-1-yl]methyl]quinoline;hydrochloride
CID 120768443
2-(3-chlorophenyl)-1-[[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]methyl]piperazine
CID 120780133
2-(3-chlorophenyl)-1-[(5-methyl-1H-pyrazol-4-yl)methyl]piperazine
CID 120780185

Frequently Asked Questions

What is the IUPAC name of 5-[[2-(3-chlorophenyl)piperazin-1-yl]methyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine;hydrochloride?
The IUPAC name of 5-[[2-(3-chlorophenyl)piperazin-1-yl]methyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine;hydrochloride (CID 120780080) is 5-[[2-(3-chlorophenyl)piperazin-1-yl]methyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine;hydrochloride.
What is the SMILES notation for 5-[[2-(3-chlorophenyl)piperazin-1-yl]methyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine;hydrochloride?
The canonical SMILES for 5-[[2-(3-chlorophenyl)piperazin-1-yl]methyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine;hydrochloride is CC(C)n1ncc2cc(CN3CCNCC3c3cccc(Cl)c3)cnc21.Cl.
What is the InChIKey of 5-[[2-(3-chlorophenyl)piperazin-1-yl]methyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine;hydrochloride?
The InChIKey is QHVGKSNFWWWPBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24ClN5.ClH/c1-14(2)26-20-17(11-24-26)8-15(10-23-20)13-25-7-6-22-12-19(25)16-4-3-5-18(21)9-16;/h3-5,8-11,14,19,22H,6-7,12-13H2,1-2H3;1H.
What are the key properties of 5-[[2-(3-chlorophenyl)piperazin-1-yl]methyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine;hydrochloride?
5-[[2-(3-chlorophenyl)piperazin-1-yl]methyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine;hydrochloride has a molecular weight of 406.36 g/mol, XLogP of 4.23, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-(3-chlorophenyl)piperazin-1-yl]methyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine;hydrochloride is sourced from PubChem (CID 120780080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).