N-(3,4-difluorophenyl)-2-[1-methyl-3-phenyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-6-yl]oxyacetamide

C22H15F5N4O2 — CID 50799591

IUPACN-(3,4-difluorophenyl)-2-[1-methyl-3-phenyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-6-yl]oxyacetamide
SMILESCn1nc(-c2ccccc2)c2c(C(F)(F)F)cc(OCC(=O)Nc3ccc(F)c(F)c3)nc21
InChIInChI=1S/C22H15F5N4O2/c1-31-21-19(20(30-31)12-5-3-2-4-6-12)14(22(25,26)27)10-18(29-21)33-11-17(32)28-13-7-8-15(23)16(24)9-13/h2-10H,11H2,1H3,(H,28,32)
InChIKeyFNVPUNVMWHJXMH-UHFFFAOYSA-N
MW462.38 g/mol
LogP4.95
Rot. Bonds5

About N-(3,4-difluorophenyl)-2-[1-methyl-3-phenyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-6-yl]oxyacetamide

N-(3,4-difluorophenyl)-2-[1-methyl-3-phenyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-6-yl]oxyacetamide (PubChem CID 50799591) has the molecular formula C22H15F5N4O2 and a molecular weight of 462.38 g/mol. Its IUPAC name is N-(3,4-difluorophenyl)-2-[1-methyl-3-phenyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-6-yl]oxyacetamide.

Molecular Properties

Compound NameN-(3,4-difluorophenyl)-2-[1-methyl-3-phenyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-6-yl]oxyacetamide
PubChem CID50799591
Molecular FormulaC22H15F5N4O2
Molecular Weight462.38 g/mol
Exact Mass462.11
IUPAC NameN-(3,4-difluorophenyl)-2-[1-methyl-3-phenyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-6-yl]oxyacetamide
SMILESCn1nc(-c2ccccc2)c2c(C(F)(F)F)cc(OCC(=O)Nc3ccc(F)c(F)c3)nc21
InChIInChI=1S/C22H15F5N4O2/c1-31-21-19(20(30-31)12-5-3-2-4-6-12)14(22(25,26)27)10-18(29-21)33-11-17(32)28-13-7-8-15(23)16(24)9-13/h2-10H,11H2,1H3,(H,28,32)
InChIKeyFNVPUNVMWHJXMH-UHFFFAOYSA-N
XLogP4.95
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.38
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(5-methylfuran-2-yl)ethyl]-2-[1-methyl-3-phenyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-6-yl]oxyacetamide
CID 67209507
N-(4-acetamidophenyl)-2-[1,3-dimethyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-6-yl]oxyacetamide
CID 50791465
N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-2-[1-methyl-3-phenyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-6-yl]oxyacetamide
CID 67209329
N-[1-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-2-[1-methyl-3-phenyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-6-yl]oxyacetamide
CID 53242213
2-[1,3-dimethyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-6-yl]oxy-N-(2-methylphenyl)acetamide
CID 50791546
(4S)-4-(3,5-dimethyl-1H-pyrazol-4-yl)-1-[1-methyl-3-phenyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-6-yl]oxypentan-2-one
CID 161392249
2-[1,3-dimethyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-6-yl]oxy-N-(2-phenylethyl)acetamide
CID 50791241
N-(4-fluorophenyl)-2-[3-methyl-1-(4-methylphenyl)-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-6-yl]oxyacetamide
CID 50791122
(4R)-1-[1-methyl-3-(2-methylphenyl)-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-6-yl]oxy-4-phenylpentan-2-one
CID 148725969
2-[1,3-dimethyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-6-yl]oxy-N-propylacetamide
CID 50791155
2-[3-cyclopentyl-1-methyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-6-yl]oxy-N-(1-phenylethyl)acetamide
CID 67209272
1-[(1R)-2,3-dihydro-1H-inden-1-yl]-3-[3-(2-fluorophenyl)-1-methyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-6-yl]oxypropan-2-one
CID 160810478

Frequently Asked Questions

What is the IUPAC name of N-(3,4-difluorophenyl)-2-[1-methyl-3-phenyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-6-yl]oxyacetamide?
The IUPAC name of N-(3,4-difluorophenyl)-2-[1-methyl-3-phenyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-6-yl]oxyacetamide (CID 50799591) is N-(3,4-difluorophenyl)-2-[1-methyl-3-phenyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-6-yl]oxyacetamide.
What is the SMILES notation for N-(3,4-difluorophenyl)-2-[1-methyl-3-phenyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-6-yl]oxyacetamide?
The canonical SMILES for N-(3,4-difluorophenyl)-2-[1-methyl-3-phenyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-6-yl]oxyacetamide is Cn1nc(-c2ccccc2)c2c(C(F)(F)F)cc(OCC(=O)Nc3ccc(F)c(F)c3)nc21.
What is the InChIKey of N-(3,4-difluorophenyl)-2-[1-methyl-3-phenyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-6-yl]oxyacetamide?
The InChIKey is FNVPUNVMWHJXMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15F5N4O2/c1-31-21-19(20(30-31)12-5-3-2-4-6-12)14(22(25,26)27)10-18(29-21)33-11-17(32)28-13-7-8-15(23)16(24)9-13/h2-10H,11H2,1H3,(H,28,32).
What are the key properties of N-(3,4-difluorophenyl)-2-[1-methyl-3-phenyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-6-yl]oxyacetamide?
N-(3,4-difluorophenyl)-2-[1-methyl-3-phenyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-6-yl]oxyacetamide has a molecular weight of 462.38 g/mol, XLogP of 4.95, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-difluorophenyl)-2-[1-methyl-3-phenyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-6-yl]oxyacetamide is sourced from PubChem (CID 50799591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).