N-butyl-2-[4-(difluoromethyl)-3-methyl-6-phenylpyrazolo[5,4-b]pyridin-1-yl]acetamide

C20H22F2N4O — CID 19501817

IUPACN-butyl-2-[4-(difluoromethyl)-3-methyl-6-phenylpyrazolo[5,4-b]pyridin-1-yl]acetamide
SMILESCCCCNC(=O)Cn1nc(C)c2c(C(F)F)cc(-c3ccccc3)nc21
InChIInChI=1S/C20H22F2N4O/c1-3-4-10-23-17(27)12-26-20-18(13(2)25-26)15(19(21)22)11-16(24-20)14-8-6-5-7-9-14/h5-9,11,19H,3-4,10,12H2,1-2H3,(H,23,27)
InChIKeyADLFNPQTIMACPU-UHFFFAOYSA-N
MW372.42 g/mol
LogP4.26
Rot. Bonds7

About N-butyl-2-[4-(difluoromethyl)-3-methyl-6-phenylpyrazolo[5,4-b]pyridin-1-yl]acetamide

N-butyl-2-[4-(difluoromethyl)-3-methyl-6-phenylpyrazolo[5,4-b]pyridin-1-yl]acetamide (PubChem CID 19501817) has the molecular formula C20H22F2N4O and a molecular weight of 372.42 g/mol. Its IUPAC name is N-butyl-2-[4-(difluoromethyl)-3-methyl-6-phenylpyrazolo[5,4-b]pyridin-1-yl]acetamide.

Molecular Properties

Compound NameN-butyl-2-[4-(difluoromethyl)-3-methyl-6-phenylpyrazolo[5,4-b]pyridin-1-yl]acetamide
PubChem CID19501817
Molecular FormulaC20H22F2N4O
Molecular Weight372.42 g/mol
Exact Mass372.18
IUPAC NameN-butyl-2-[4-(difluoromethyl)-3-methyl-6-phenylpyrazolo[5,4-b]pyridin-1-yl]acetamide
SMILESCCCCNC(=O)Cn1nc(C)c2c(C(F)F)cc(-c3ccccc3)nc21
InChIInChI=1S/C20H22F2N4O/c1-3-4-10-23-17(27)12-26-20-18(13(2)25-26)15(19(21)22)11-16(24-20)14-8-6-5-7-9-14/h5-9,11,19H,3-4,10,12H2,1-2H3,(H,23,27)
InChIKeyADLFNPQTIMACPU-UHFFFAOYSA-N
XLogP4.26
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.42
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-(4-chloro-3,5-dimethylpyrazol-1-yl)ethyl]-2-[4-(difluoromethyl)-3-methyl-6-phenylpyrazolo[5,4-b]pyridin-1-yl]acetamide
CID 19501873
2-[4-(difluoromethyl)-3-methyl-6-phenylpyrazolo[5,4-b]pyridin-1-yl]-N-(1-ethylpyrazol-4-yl)acetamide
CID 19501855
2-[4-(difluoromethyl)-3-methyl-6-phenylpyrazolo[5,4-b]pyridin-1-yl]-N-[1-(4-methylphenyl)propyl]acetamide
CID 19501694
2-[4-(difluoromethyl)-3-methyl-6-phenylpyrazolo[5,4-b]pyridin-1-yl]-N-(2,4-dimethylphenyl)acetamide
CID 19501586
2-[4-(difluoromethyl)-3-methyl-6-phenylpyrazolo[5,4-b]pyridin-1-yl]-N-(3,4-difluorophenyl)acetamide
CID 19501643
N-(3,4-dichlorophenyl)-2-[4-(difluoromethyl)-3-methyl-6-phenylpyrazolo[5,4-b]pyridin-1-yl]acetamide
CID 19501628
2-[4-(difluoromethyl)-3-methyl-6-phenylpyrazolo[5,4-b]pyridin-1-yl]-N-(4-methyl-2-pyridinyl)acetamide
CID 19501596
N-(1-benzylpyrazol-4-yl)-2-[4-(difluoromethyl)-3-methyl-6-phenylpyrazolo[5,4-b]pyridin-1-yl]acetamide
CID 19501680
N-(5-chloro-2-pyridinyl)-2-[4-(difluoromethyl)-3-methyl-6-phenylpyrazolo[5,4-b]pyridin-1-yl]acetamide
CID 19501625
N-[2-(difluoromethoxy)phenyl]-2-[4-(difluoromethyl)-3-methyl-6-phenylpyrazolo[5,4-b]pyridin-1-yl]acetamide
CID 19501739
N-(3-chlorophenyl)-2-[4-(difluoromethyl)-3-methyl-6-phenylpyrazolo[5,4-b]pyridin-1-yl]acetamide
CID 19501703
2-[4-(difluoromethyl)-3-methyl-6-phenylpyrazolo[5,4-b]pyridin-1-yl]-N-(2,4-difluorophenyl)acetamide
CID 19501638

Frequently Asked Questions

What is the IUPAC name of N-butyl-2-[4-(difluoromethyl)-3-methyl-6-phenylpyrazolo[5,4-b]pyridin-1-yl]acetamide?
The IUPAC name of N-butyl-2-[4-(difluoromethyl)-3-methyl-6-phenylpyrazolo[5,4-b]pyridin-1-yl]acetamide (CID 19501817) is N-butyl-2-[4-(difluoromethyl)-3-methyl-6-phenylpyrazolo[5,4-b]pyridin-1-yl]acetamide.
What is the SMILES notation for N-butyl-2-[4-(difluoromethyl)-3-methyl-6-phenylpyrazolo[5,4-b]pyridin-1-yl]acetamide?
The canonical SMILES for N-butyl-2-[4-(difluoromethyl)-3-methyl-6-phenylpyrazolo[5,4-b]pyridin-1-yl]acetamide is CCCCNC(=O)Cn1nc(C)c2c(C(F)F)cc(-c3ccccc3)nc21.
What is the InChIKey of N-butyl-2-[4-(difluoromethyl)-3-methyl-6-phenylpyrazolo[5,4-b]pyridin-1-yl]acetamide?
The InChIKey is ADLFNPQTIMACPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22F2N4O/c1-3-4-10-23-17(27)12-26-20-18(13(2)25-26)15(19(21)22)11-16(24-20)14-8-6-5-7-9-14/h5-9,11,19H,3-4,10,12H2,1-2H3,(H,23,27).
What are the key properties of N-butyl-2-[4-(difluoromethyl)-3-methyl-6-phenylpyrazolo[5,4-b]pyridin-1-yl]acetamide?
N-butyl-2-[4-(difluoromethyl)-3-methyl-6-phenylpyrazolo[5,4-b]pyridin-1-yl]acetamide has a molecular weight of 372.42 g/mol, XLogP of 4.26, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2-[4-(difluoromethyl)-3-methyl-6-phenylpyrazolo[5,4-b]pyridin-1-yl]acetamide is sourced from PubChem (CID 19501817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).