2-(3,4-dimethyl-1-phenylpyrazolo[5,4-b]pyridin-6-yl)oxy-1-[4-(2-fluorophenyl)piperazin-1-yl]ethanone

C26H26FN5O2 — CID 50799148

IUPAC2-(3,4-dimethyl-1-phenylpyrazolo[5,4-b]pyridin-6-yl)oxy-1-[4-(2-fluorophenyl)piperazin-1-yl]ethanone
SMILESCc1cc(OCC(=O)N2CCN(c3ccccc3F)CC2)nc2c1c(C)nn2-c1ccccc1
InChIInChI=1S/C26H26FN5O2/c1-18-16-23(28-26-25(18)19(2)29-32(26)20-8-4-3-5-9-20)34-17-24(33)31-14-12-30(13-15-31)22-11-7-6-10-21(22)27/h3-11,16H,12-15,17H2,1-2H3
InChIKeyKJWWJXISFNKXBY-UHFFFAOYSA-N
MW459.53 g/mol
LogP3.90
Rot. Bonds5

About 2-(3,4-dimethyl-1-phenylpyrazolo[5,4-b]pyridin-6-yl)oxy-1-[4-(2-fluorophenyl)piperazin-1-yl]ethanone

2-(3,4-dimethyl-1-phenylpyrazolo[5,4-b]pyridin-6-yl)oxy-1-[4-(2-fluorophenyl)piperazin-1-yl]ethanone (PubChem CID 50799148) has the molecular formula C26H26FN5O2 and a molecular weight of 459.53 g/mol. Its IUPAC name is 2-(3,4-dimethyl-1-phenylpyrazolo[5,4-b]pyridin-6-yl)oxy-1-[4-(2-fluorophenyl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-(3,4-dimethyl-1-phenylpyrazolo[5,4-b]pyridin-6-yl)oxy-1-[4-(2-fluorophenyl)piperazin-1-yl]ethanone
PubChem CID50799148
Molecular FormulaC26H26FN5O2
Molecular Weight459.53 g/mol
Exact Mass459.21
IUPAC Name2-(3,4-dimethyl-1-phenylpyrazolo[5,4-b]pyridin-6-yl)oxy-1-[4-(2-fluorophenyl)piperazin-1-yl]ethanone
SMILESCc1cc(OCC(=O)N2CCN(c3ccccc3F)CC2)nc2c1c(C)nn2-c1ccccc1
InChIInChI=1S/C26H26FN5O2/c1-18-16-23(28-26-25(18)19(2)29-32(26)20-8-4-3-5-9-20)34-17-24(33)31-14-12-30(13-15-31)22-11-7-6-10-21(22)27/h3-11,16H,12-15,17H2,1-2H3
InChIKeyKJWWJXISFNKXBY-UHFFFAOYSA-N
XLogP3.90
TPSA63.49 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.53
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-(4-methyl-1,3-diphenylpyrazolo[5,4-b]pyridin-6-yl)oxy-1-(4-methylpiperazin-1-yl)ethanone
CID 50799159
ethyl 4-[[2-(3,4-dimethyl-1-phenylpyrazolo[5,4-b]pyridin-6-yl)oxyacetyl]amino]piperidine-1-carboxylate
CID 50799262
1-[4-(2-fluorophenyl)piperazin-1-yl]-2-phenoxyethanone
CID 807242
2-(3,4-dimethyl-1-phenylpyrazolo[5,4-b]pyridin-6-yl)oxy-N-(1-phenylethyl)acetamide
CID 50799077
N-(1,3-benzodioxol-5-yl)-2-[1-(3-fluorophenyl)-3,4-dimethylpyrazolo[5,4-b]pyridin-6-yl]oxyacetamide
CID 50791202
2-[1-(4-ethylphenyl)-3-methyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-6-yl]oxy-1-morpholin-4-ylethanone
CID 50791377
N-(4-fluoro-2-methylphenyl)-2-[1-(3-fluorophenyl)-3,4-dimethylpyrazolo[5,4-b]pyridin-6-yl]oxyacetamide
CID 50791258
1-[4-(3,5-dimethyl-1-phenylpyrazol-4-yl)piperazin-1-yl]-2-(2-methylphenoxy)ethanone
CID 90506686
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[1-(3-fluorophenyl)-3,4-dimethylpyrazolo[5,4-b]pyridin-6-yl]oxyacetamide
CID 50791230
1-(3,4-dimethylphenyl)-5-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]pyrazolo[5,4-d]pyrimidin-4-one
CID 1433577
1-[4-(2-fluorophenyl)piperazin-1-yl]-2-[(2-methylpropan-2-yl)oxy]ethanone
CID 115950323
6-[(3-chlorophenyl)methoxy]-3,4-dimethyl-1-phenylpyrazolo[5,4-b]pyridine
CID 50793866

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethyl-1-phenylpyrazolo[5,4-b]pyridin-6-yl)oxy-1-[4-(2-fluorophenyl)piperazin-1-yl]ethanone?
The IUPAC name of 2-(3,4-dimethyl-1-phenylpyrazolo[5,4-b]pyridin-6-yl)oxy-1-[4-(2-fluorophenyl)piperazin-1-yl]ethanone (CID 50799148) is 2-(3,4-dimethyl-1-phenylpyrazolo[5,4-b]pyridin-6-yl)oxy-1-[4-(2-fluorophenyl)piperazin-1-yl]ethanone.
What is the SMILES notation for 2-(3,4-dimethyl-1-phenylpyrazolo[5,4-b]pyridin-6-yl)oxy-1-[4-(2-fluorophenyl)piperazin-1-yl]ethanone?
The canonical SMILES for 2-(3,4-dimethyl-1-phenylpyrazolo[5,4-b]pyridin-6-yl)oxy-1-[4-(2-fluorophenyl)piperazin-1-yl]ethanone is Cc1cc(OCC(=O)N2CCN(c3ccccc3F)CC2)nc2c1c(C)nn2-c1ccccc1.
What is the InChIKey of 2-(3,4-dimethyl-1-phenylpyrazolo[5,4-b]pyridin-6-yl)oxy-1-[4-(2-fluorophenyl)piperazin-1-yl]ethanone?
The InChIKey is KJWWJXISFNKXBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26FN5O2/c1-18-16-23(28-26-25(18)19(2)29-32(26)20-8-4-3-5-9-20)34-17-24(33)31-14-12-30(13-15-31)22-11-7-6-10-21(22)27/h3-11,16H,12-15,17H2,1-2H3.
What are the key properties of 2-(3,4-dimethyl-1-phenylpyrazolo[5,4-b]pyridin-6-yl)oxy-1-[4-(2-fluorophenyl)piperazin-1-yl]ethanone?
2-(3,4-dimethyl-1-phenylpyrazolo[5,4-b]pyridin-6-yl)oxy-1-[4-(2-fluorophenyl)piperazin-1-yl]ethanone has a molecular weight of 459.53 g/mol, XLogP of 3.90, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethyl-1-phenylpyrazolo[5,4-b]pyridin-6-yl)oxy-1-[4-(2-fluorophenyl)piperazin-1-yl]ethanone is sourced from PubChem (CID 50799148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).