2-[4-(difluoromethyl)-6-(furan-2-yl)-3-methylpyrazolo[5,4-b]pyridin-1-yl]-N-(3,4-difluorophenyl)acetamide

C20H14F4N4O2 — CID 19501372

IUPAC2-[4-(difluoromethyl)-6-(furan-2-yl)-3-methylpyrazolo[5,4-b]pyridin-1-yl]-N-(3,4-difluorophenyl)acetamide
SMILESCc1nn(CC(=O)Nc2ccc(F)c(F)c2)c2nc(-c3ccco3)cc(C(F)F)c12
InChIInChI=1S/C20H14F4N4O2/c1-10-18-12(19(23)24)8-15(16-3-2-6-30-16)26-20(18)28(27-10)9-17(29)25-11-4-5-13(21)14(22)7-11/h2-8,19H,9H2,1H3,(H,25,29)
InChIKeySHBYURULXPNGLD-UHFFFAOYSA-N
MW418.35 g/mol
LogP4.85
Rot. Bonds5

About 2-[4-(difluoromethyl)-6-(furan-2-yl)-3-methylpyrazolo[5,4-b]pyridin-1-yl]-N-(3,4-difluorophenyl)acetamide

2-[4-(difluoromethyl)-6-(furan-2-yl)-3-methylpyrazolo[5,4-b]pyridin-1-yl]-N-(3,4-difluorophenyl)acetamide (PubChem CID 19501372) has the molecular formula C20H14F4N4O2 and a molecular weight of 418.35 g/mol. Its IUPAC name is 2-[4-(difluoromethyl)-6-(furan-2-yl)-3-methylpyrazolo[5,4-b]pyridin-1-yl]-N-(3,4-difluorophenyl)acetamide.

Molecular Properties

Compound Name2-[4-(difluoromethyl)-6-(furan-2-yl)-3-methylpyrazolo[5,4-b]pyridin-1-yl]-N-(3,4-difluorophenyl)acetamide
PubChem CID19501372
Molecular FormulaC20H14F4N4O2
Molecular Weight418.35 g/mol
Exact Mass418.11
IUPAC Name2-[4-(difluoromethyl)-6-(furan-2-yl)-3-methylpyrazolo[5,4-b]pyridin-1-yl]-N-(3,4-difluorophenyl)acetamide
SMILESCc1nn(CC(=O)Nc2ccc(F)c(F)c2)c2nc(-c3ccco3)cc(C(F)F)c12
InChIInChI=1S/C20H14F4N4O2/c1-10-18-12(19(23)24)8-15(16-3-2-6-30-16)26-20(18)28(27-10)9-17(29)25-11-4-5-13(21)14(22)7-11/h2-8,19H,9H2,1H3,(H,25,29)
InChIKeySHBYURULXPNGLD-UHFFFAOYSA-N
XLogP4.85
TPSA72.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.35
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-(difluoromethyl)-6-(furan-2-yl)-3-methylpyrazolo[5,4-b]pyridin-1-yl]-N-pyridin-4-ylacetamide
CID 19499759
N-(3-chlorophenyl)-2-[4-(difluoromethyl)-6-(furan-2-yl)-3-methylpyrazolo[5,4-b]pyridin-1-yl]acetamide
CID 19501428
2-[4-(difluoromethyl)-3-methyl-6-phenylpyrazolo[5,4-b]pyridin-1-yl]-N-(3,4-difluorophenyl)acetamide
CID 19501643
N-(2,6-dichlorophenyl)-2-[4-(difluoromethyl)-6-(furan-2-yl)-3-methylpyrazolo[5,4-b]pyridin-1-yl]acetamide
CID 19499756
N-(3-chloro-2-methylphenyl)-2-[4-(difluoromethyl)-6-(furan-2-yl)-3-methylpyrazolo[5,4-b]pyridin-1-yl]acetamide
CID 19499717
N-[1-[(4-chlorophenyl)methyl]-1,2,4-triazol-3-yl]-2-[4-(difluoromethyl)-6-(furan-2-yl)-3-methylpyrazolo[5,4-b]pyridin-1-yl]acetamide
CID 19501508
N-[1-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-3,5-dimethylpyrazol-4-yl]-2-[4-(difluoromethyl)-6-(furan-2-yl)-3-methylpyrazolo[5,4-b]pyridin-1-yl]acetamide
CID 19501552
2-[4-(difluoromethyl)-6-(furan-2-yl)-3-methylpyrazolo[5,4-b]pyridin-1-yl]-N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]acetamide
CID 19501538
N-(3-chloro-4-fluorophenyl)-2-[4-(difluoromethyl)-3-methyl-6-phenylpyrazolo[5,4-b]pyridin-1-yl]acetamide
CID 19501644
N-[1-[(3,4-dichlorophenyl)methyl]-5-methylpyrazol-3-yl]-2-[4-(difluoromethyl)-6-(furan-2-yl)-3-methylpyrazolo[5,4-b]pyridin-1-yl]acetamide
CID 19501543
2-[4-(difluoromethyl)-6-(furan-2-yl)-3-methylpyrazolo[5,4-b]pyridin-1-yl]-N-[1-(1-ethyl-3-methylpyrazol-4-yl)ethyl]acetamide
CID 19501453
N-[(4-bromo-1-ethylpyrazol-5-yl)methyl]-2-[4-(difluoromethyl)-6-(furan-2-yl)-3-methylpyrazolo[5,4-b]pyridin-1-yl]acetamide
CID 19501524

Frequently Asked Questions

What is the IUPAC name of 2-[4-(difluoromethyl)-6-(furan-2-yl)-3-methylpyrazolo[5,4-b]pyridin-1-yl]-N-(3,4-difluorophenyl)acetamide?
The IUPAC name of 2-[4-(difluoromethyl)-6-(furan-2-yl)-3-methylpyrazolo[5,4-b]pyridin-1-yl]-N-(3,4-difluorophenyl)acetamide (CID 19501372) is 2-[4-(difluoromethyl)-6-(furan-2-yl)-3-methylpyrazolo[5,4-b]pyridin-1-yl]-N-(3,4-difluorophenyl)acetamide.
What is the SMILES notation for 2-[4-(difluoromethyl)-6-(furan-2-yl)-3-methylpyrazolo[5,4-b]pyridin-1-yl]-N-(3,4-difluorophenyl)acetamide?
The canonical SMILES for 2-[4-(difluoromethyl)-6-(furan-2-yl)-3-methylpyrazolo[5,4-b]pyridin-1-yl]-N-(3,4-difluorophenyl)acetamide is Cc1nn(CC(=O)Nc2ccc(F)c(F)c2)c2nc(-c3ccco3)cc(C(F)F)c12.
What is the InChIKey of 2-[4-(difluoromethyl)-6-(furan-2-yl)-3-methylpyrazolo[5,4-b]pyridin-1-yl]-N-(3,4-difluorophenyl)acetamide?
The InChIKey is SHBYURULXPNGLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14F4N4O2/c1-10-18-12(19(23)24)8-15(16-3-2-6-30-16)26-20(18)28(27-10)9-17(29)25-11-4-5-13(21)14(22)7-11/h2-8,19H,9H2,1H3,(H,25,29).
What are the key properties of 2-[4-(difluoromethyl)-6-(furan-2-yl)-3-methylpyrazolo[5,4-b]pyridin-1-yl]-N-(3,4-difluorophenyl)acetamide?
2-[4-(difluoromethyl)-6-(furan-2-yl)-3-methylpyrazolo[5,4-b]pyridin-1-yl]-N-(3,4-difluorophenyl)acetamide has a molecular weight of 418.35 g/mol, XLogP of 4.85, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(difluoromethyl)-6-(furan-2-yl)-3-methylpyrazolo[5,4-b]pyridin-1-yl]-N-(3,4-difluorophenyl)acetamide is sourced from PubChem (CID 19501372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).