2-(4-methyl-1,3-diphenylpyrazolo[5,4-b]pyridin-6-yl)oxy-1-(4-methylpiperazin-1-yl)ethanone

C26H27N5O2 — CID 50799159

IUPAC2-(4-methyl-1,3-diphenylpyrazolo[5,4-b]pyridin-6-yl)oxy-1-(4-methylpiperazin-1-yl)ethanone
SMILESCc1cc(OCC(=O)N2CCN(C)CC2)nc2c1c(-c1ccccc1)nn2-c1ccccc1
InChIInChI=1S/C26H27N5O2/c1-19-17-22(33-18-23(32)30-15-13-29(2)14-16-30)27-26-24(19)25(20-9-5-3-6-10-20)28-31(26)21-11-7-4-8-12-21/h3-12,17H,13-16,18H2,1-2H3
InChIKeyRYCQCOZEJRNARL-UHFFFAOYSA-N
MW441.54 g/mol
LogP3.55
Rot. Bonds5

About 2-(4-methyl-1,3-diphenylpyrazolo[5,4-b]pyridin-6-yl)oxy-1-(4-methylpiperazin-1-yl)ethanone

2-(4-methyl-1,3-diphenylpyrazolo[5,4-b]pyridin-6-yl)oxy-1-(4-methylpiperazin-1-yl)ethanone (PubChem CID 50799159) has the molecular formula C26H27N5O2 and a molecular weight of 441.54 g/mol. Its IUPAC name is 2-(4-methyl-1,3-diphenylpyrazolo[5,4-b]pyridin-6-yl)oxy-1-(4-methylpiperazin-1-yl)ethanone.

Molecular Properties

Compound Name2-(4-methyl-1,3-diphenylpyrazolo[5,4-b]pyridin-6-yl)oxy-1-(4-methylpiperazin-1-yl)ethanone
PubChem CID50799159
Molecular FormulaC26H27N5O2
Molecular Weight441.54 g/mol
Exact Mass441.22
IUPAC Name2-(4-methyl-1,3-diphenylpyrazolo[5,4-b]pyridin-6-yl)oxy-1-(4-methylpiperazin-1-yl)ethanone
SMILESCc1cc(OCC(=O)N2CCN(C)CC2)nc2c1c(-c1ccccc1)nn2-c1ccccc1
InChIInChI=1S/C26H27N5O2/c1-19-17-22(33-18-23(32)30-15-13-29(2)14-16-30)27-26-24(19)25(20-9-5-3-6-10-20)28-31(26)21-11-7-4-8-12-21/h3-12,17H,13-16,18H2,1-2H3
InChIKeyRYCQCOZEJRNARL-UHFFFAOYSA-N
XLogP3.55
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 ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-(3,4-dimethyl-1-phenylpyrazolo[5,4-b]pyridin-6-yl)oxy-1-[4-(2-fluorophenyl)piperazin-1-yl]ethanone
CID 50799148
N-(2,6-dimethylphenyl)-2-(4-methyl-1,3-diphenylpyrazolo[5,4-b]pyridin-6-yl)oxyacetamide
CID 50799072
N-benzyl-2-(4-methyl-1,3-diphenylpyrazolo[5,4-b]pyridin-6-yl)oxyacetamide
CID 50799160
2-(4-methyl-1,3-diphenylpyrazolo[5,4-b]pyridin-6-yl)oxy-N-[(2-methylphenyl)methyl]acetamide
CID 50799140
2-(4-methyl-1,3-diphenylpyrazolo[5,4-b]pyridin-6-yl)oxy-N-(1-phenylethyl)acetamide
CID 50799206
N-[(4-methoxyphenyl)methyl]-2-(4-methyl-1,3-diphenylpyrazolo[5,4-b]pyridin-6-yl)oxyacetamide
CID 50799254
N-benzyl-2-[4-methyl-3-(3-methylphenyl)-1-phenylpyrazolo[5,4-b]pyridin-6-yl]oxyacetamide
CID 50790091
N-(3-chloro-2-methylphenyl)-2-[4-methyl-3-(3-methylphenyl)-1-phenylpyrazolo[5,4-b]pyridin-6-yl]oxyacetamide
CID 50790085
ethyl 4-[[2-(3,4-dimethyl-1-phenylpyrazolo[5,4-b]pyridin-6-yl)oxyacetyl]amino]piperidine-1-carboxylate
CID 50799262
2-(3,4-dimethyl-1-phenylpyrazolo[5,4-b]pyridin-6-yl)oxy-N-(1-phenylethyl)acetamide
CID 50799077
4-methyl-7-(2-oxo-2-pyrrolidin-1-ylethyl)-1,3-diphenylpyrazolo[5,4-b]pyridin-6-one
CID 22575737
2-(3,4-dimethyl-1-phenylpyrazolo[5,4-b]pyridin-6-yl)oxy-N-(2-ethoxyphenyl)acetamide
CID 50799165

Frequently Asked Questions

What is the IUPAC name of 2-(4-methyl-1,3-diphenylpyrazolo[5,4-b]pyridin-6-yl)oxy-1-(4-methylpiperazin-1-yl)ethanone?
The IUPAC name of 2-(4-methyl-1,3-diphenylpyrazolo[5,4-b]pyridin-6-yl)oxy-1-(4-methylpiperazin-1-yl)ethanone (CID 50799159) is 2-(4-methyl-1,3-diphenylpyrazolo[5,4-b]pyridin-6-yl)oxy-1-(4-methylpiperazin-1-yl)ethanone.
What is the SMILES notation for 2-(4-methyl-1,3-diphenylpyrazolo[5,4-b]pyridin-6-yl)oxy-1-(4-methylpiperazin-1-yl)ethanone?
The canonical SMILES for 2-(4-methyl-1,3-diphenylpyrazolo[5,4-b]pyridin-6-yl)oxy-1-(4-methylpiperazin-1-yl)ethanone is Cc1cc(OCC(=O)N2CCN(C)CC2)nc2c1c(-c1ccccc1)nn2-c1ccccc1.
What is the InChIKey of 2-(4-methyl-1,3-diphenylpyrazolo[5,4-b]pyridin-6-yl)oxy-1-(4-methylpiperazin-1-yl)ethanone?
The InChIKey is RYCQCOZEJRNARL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N5O2/c1-19-17-22(33-18-23(32)30-15-13-29(2)14-16-30)27-26-24(19)25(20-9-5-3-6-10-20)28-31(26)21-11-7-4-8-12-21/h3-12,17H,13-16,18H2,1-2H3.
What are the key properties of 2-(4-methyl-1,3-diphenylpyrazolo[5,4-b]pyridin-6-yl)oxy-1-(4-methylpiperazin-1-yl)ethanone?
2-(4-methyl-1,3-diphenylpyrazolo[5,4-b]pyridin-6-yl)oxy-1-(4-methylpiperazin-1-yl)ethanone has a molecular weight of 441.54 g/mol, XLogP of 3.55, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methyl-1,3-diphenylpyrazolo[5,4-b]pyridin-6-yl)oxy-1-(4-methylpiperazin-1-yl)ethanone is sourced from PubChem (CID 50799159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).