(4-benzylpiperazin-1-yl)-[6-(4-methoxyphenyl)-1-methylpyrazolo[5,4-b]pyridin-4-yl]methanone

C26H27N5O2 — CID 44821362

IUPAC(4-benzylpiperazin-1-yl)-[6-(4-methoxyphenyl)-1-methylpyrazolo[5,4-b]pyridin-4-yl]methanone
SMILESCOc1ccc(-c2cc(C(=O)N3CCN(Cc4ccccc4)CC3)c3cnn(C)c3n2)cc1
InChIInChI=1S/C26H27N5O2/c1-29-25-23(17-27-29)22(16-24(28-25)20-8-10-21(33-2)11-9-20)26(32)31-14-12-30(13-15-31)18-19-6-4-3-5-7-19/h3-11,16-17H,12-15,18H2,1-2H3
InChIKeyJSZDWMZYLHLHEW-UHFFFAOYSA-N
MW441.54 g/mol
LogP3.60
Rot. Bonds5

About (4-benzylpiperazin-1-yl)-[6-(4-methoxyphenyl)-1-methylpyrazolo[5,4-b]pyridin-4-yl]methanone

(4-benzylpiperazin-1-yl)-[6-(4-methoxyphenyl)-1-methylpyrazolo[5,4-b]pyridin-4-yl]methanone (PubChem CID 44821362) has the molecular formula C26H27N5O2 and a molecular weight of 441.54 g/mol. Its IUPAC name is (4-benzylpiperazin-1-yl)-[6-(4-methoxyphenyl)-1-methylpyrazolo[5,4-b]pyridin-4-yl]methanone.

Molecular Properties

Compound Name(4-benzylpiperazin-1-yl)-[6-(4-methoxyphenyl)-1-methylpyrazolo[5,4-b]pyridin-4-yl]methanone
PubChem CID44821362
Molecular FormulaC26H27N5O2
Molecular Weight441.54 g/mol
Exact Mass441.22
IUPAC Name(4-benzylpiperazin-1-yl)-[6-(4-methoxyphenyl)-1-methylpyrazolo[5,4-b]pyridin-4-yl]methanone
SMILESCOc1ccc(-c2cc(C(=O)N3CCN(Cc4ccccc4)CC3)c3cnn(C)c3n2)cc1
InChIInChI=1S/C26H27N5O2/c1-29-25-23(17-27-29)22(16-24(28-25)20-8-10-21(33-2)11-9-20)26(32)31-14-12-30(13-15-31)18-19-6-4-3-5-7-19/h3-11,16-17H,12-15,18H2,1-2H3
InChIKeyJSZDWMZYLHLHEW-UHFFFAOYSA-N
XLogP3.60
TPSA63.49 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.54
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (4-benzylpiperazin-1-yl)-[6-(4-methoxyphenyl)-1-methylpyrazolo[5,4-b]pyridin-4-yl]methanone with MolForge

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Related Compounds

(4-benzylpiperidin-1-yl)-[6-(4-methoxyphenyl)-1-methylpyrazolo[5,4-b]pyridin-4-yl]methanone
CID 44821564
[6-(4-methoxyphenyl)-1-methylpyrazolo[5,4-b]pyridin-4-yl]-(4-methylpiperidin-1-yl)methanone
CID 44821575
[6-(4-methoxyphenyl)-1-methylpyrazolo[5,4-b]pyridin-4-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 134802057
(4-benzylpiperazin-1-yl)-[6-bromo-2-(4-methoxyphenyl)quinolin-4-yl]methanone
CID 5226155
[6-(3-methoxyphenyl)-1-methylpyrazolo[5,4-b]pyridin-4-yl]-morpholin-4-ylmethanone
CID 134801381
[6-(4-methoxyphenyl)-1-methylpyrazolo[5,4-b]pyridin-4-yl]-(2-methylpiperidin-1-yl)methanone
CID 44823378
[1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridin-4-yl]-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]methanone
CID 31595087
N-(2-chlorophenyl)-6-(4-methoxyphenyl)-1-methylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 134800795
(6-phenyl-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl)-[4-(2-pyrrolidin-1-ylethyl)piperazin-1-yl]methanone
CID 112800014
(4-benzylpiperazin-1-yl)-(5-methoxy-1-methylindol-3-yl)methanone
CID 71701392
(4-ethylpiperazin-1-yl)-(6-phenyl-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl)methanone
CID 78791094
(4-benzylpiperazin-1-yl)-[4-(dimethylamino)-1-methylpyrazolo[5,4-d]pyrimidin-6-yl]methanone
CID 53181449

Frequently Asked Questions

What is the IUPAC name of (4-benzylpiperazin-1-yl)-[6-(4-methoxyphenyl)-1-methylpyrazolo[5,4-b]pyridin-4-yl]methanone?
The IUPAC name of (4-benzylpiperazin-1-yl)-[6-(4-methoxyphenyl)-1-methylpyrazolo[5,4-b]pyridin-4-yl]methanone (CID 44821362) is (4-benzylpiperazin-1-yl)-[6-(4-methoxyphenyl)-1-methylpyrazolo[5,4-b]pyridin-4-yl]methanone.
What is the SMILES notation for (4-benzylpiperazin-1-yl)-[6-(4-methoxyphenyl)-1-methylpyrazolo[5,4-b]pyridin-4-yl]methanone?
The canonical SMILES for (4-benzylpiperazin-1-yl)-[6-(4-methoxyphenyl)-1-methylpyrazolo[5,4-b]pyridin-4-yl]methanone is COc1ccc(-c2cc(C(=O)N3CCN(Cc4ccccc4)CC3)c3cnn(C)c3n2)cc1.
What is the InChIKey of (4-benzylpiperazin-1-yl)-[6-(4-methoxyphenyl)-1-methylpyrazolo[5,4-b]pyridin-4-yl]methanone?
The InChIKey is JSZDWMZYLHLHEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N5O2/c1-29-25-23(17-27-29)22(16-24(28-25)20-8-10-21(33-2)11-9-20)26(32)31-14-12-30(13-15-31)18-19-6-4-3-5-7-19/h3-11,16-17H,12-15,18H2,1-2H3.
What are the key properties of (4-benzylpiperazin-1-yl)-[6-(4-methoxyphenyl)-1-methylpyrazolo[5,4-b]pyridin-4-yl]methanone?
(4-benzylpiperazin-1-yl)-[6-(4-methoxyphenyl)-1-methylpyrazolo[5,4-b]pyridin-4-yl]methanone has a molecular weight of 441.54 g/mol, XLogP of 3.60, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4-benzylpiperazin-1-yl)-[6-(4-methoxyphenyl)-1-methylpyrazolo[5,4-b]pyridin-4-yl]methanone is sourced from PubChem (CID 44821362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).