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

C22H24F2N6O2 — CID 19501453

IUPAC2-[4-(difluoromethyl)-6-(furan-2-yl)-3-methylpyrazolo[5,4-b]pyridin-1-yl]-N-[1-(1-ethyl-3-methylpyrazol-4-yl)ethyl]acetamide
SMILESCCn1cc(C(C)NC(=O)Cn2nc(C)c3c(C(F)F)cc(-c4ccco4)nc32)c(C)n1
InChIInChI=1S/C22H24F2N6O2/c1-5-29-10-16(13(3)27-29)12(2)25-19(31)11-30-22-20(14(4)28-30)15(21(23)24)9-17(26-22)18-7-6-8-32-18/h6-10,12,21H,5,11H2,1-4H3,(H,25,31)
InChIKeyNGCGTKHSOSLKPW-UHFFFAOYSA-N
MW442.47 g/mol
LogP4.34
Rot. Bonds7

About 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

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 (PubChem CID 19501453) has the molecular formula C22H24F2N6O2 and a molecular weight of 442.47 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-[4-(difluoromethyl)-6-(furan-2-yl)-3-methylpyrazolo[5,4-b]pyridin-1-yl]-N-[1-(1-ethyl-3-methylpyrazol-4-yl)ethyl]acetamide
PubChem CID19501453
Molecular FormulaC22H24F2N6O2
Molecular Weight442.47 g/mol
Exact Mass442.19
IUPAC Name2-[4-(difluoromethyl)-6-(furan-2-yl)-3-methylpyrazolo[5,4-b]pyridin-1-yl]-N-[1-(1-ethyl-3-methylpyrazol-4-yl)ethyl]acetamide
SMILESCCn1cc(C(C)NC(=O)Cn2nc(C)c3c(C(F)F)cc(-c4ccco4)nc32)c(C)n1
InChIInChI=1S/C22H24F2N6O2/c1-5-29-10-16(13(3)27-29)12(2)25-19(31)11-30-22-20(14(4)28-30)15(21(23)24)9-17(26-22)18-7-6-8-32-18/h6-10,12,21H,5,11H2,1-4H3,(H,25,31)
InChIKeyNGCGTKHSOSLKPW-UHFFFAOYSA-N
XLogP4.34
TPSA90.77 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.47
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

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-(2,6-dichlorophenyl)-2-[4-(difluoromethyl)-6-(furan-2-yl)-3-methylpyrazolo[5,4-b]pyridin-1-yl]acetamide
CID 19499756
2-[4-(difluoromethyl)-6-(furan-2-yl)-3-methylpyrazolo[5,4-b]pyridin-1-yl]-N-pyridin-4-ylacetamide
CID 19499759
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
N-(3-chlorophenyl)-2-[4-(difluoromethyl)-6-(furan-2-yl)-3-methylpyrazolo[5,4-b]pyridin-1-yl]acetamide
CID 19501428
N-(3-chloro-2-methylphenyl)-2-[4-(difluoromethyl)-6-(furan-2-yl)-3-methylpyrazolo[5,4-b]pyridin-1-yl]acetamide
CID 19499717
2-[4-(difluoromethyl)-6-(furan-2-yl)-3-methylpyrazolo[5,4-b]pyridin-1-yl]-N-(3,4-difluorophenyl)acetamide
CID 19501372
N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-[4-(difluoromethyl)-6-(furan-2-yl)-3-methylpyrazolo[5,4-b]pyridin-1-yl]acetamide
CID 19501408
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
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-[(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
1-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-2-[4-(difluoromethyl)-6-(furan-2-yl)-3-methylpyrazolo[5,4-b]pyridin-1-yl]ethanone
CID 19501488

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-[1-(1-ethyl-3-methylpyrazol-4-yl)ethyl]acetamide?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CCn1cc(C(C)NC(=O)Cn2nc(C)c3c(C(F)F)cc(-c4ccco4)nc32)c(C)n1.
What is the InChIKey of 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?
The InChIKey is NGCGTKHSOSLKPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24F2N6O2/c1-5-29-10-16(13(3)27-29)12(2)25-19(31)11-30-22-20(14(4)28-30)15(21(23)24)9-17(26-22)18-7-6-8-32-18/h6-10,12,21H,5,11H2,1-4H3,(H,25,31).
What are the key properties of 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?
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 has a molecular weight of 442.47 g/mol, XLogP of 4.34, 7 rotatable bonds, 1 hydrogen bond donors, and 7 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-[1-(1-ethyl-3-methylpyrazol-4-yl)ethyl]acetamide is sourced from PubChem (CID 19501453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).