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

C21H22F2N6O2 — CID 19501538

IUPAC2-[4-(difluoromethyl)-6-(furan-2-yl)-3-methylpyrazolo[5,4-b]pyridin-1-yl]-N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]acetamide
SMILESCc1nn(CC(=O)NC(C)c2cnn(C)c2C)c2nc(-c3ccco3)cc(C(F)F)c12
InChIInChI=1S/C21H22F2N6O2/c1-11(15-9-24-28(4)13(15)3)25-18(30)10-29-21-19(12(2)27-29)14(20(22)23)8-16(26-21)17-6-5-7-31-17/h5-9,11,20H,10H2,1-4H3,(H,25,30)
InChIKeyRUJMCYYJMXSSST-UHFFFAOYSA-N
MW428.44 g/mol
LogP3.86
Rot. Bonds6

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

2-[4-(difluoromethyl)-6-(furan-2-yl)-3-methylpyrazolo[5,4-b]pyridin-1-yl]-N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]acetamide (PubChem CID 19501538) has the molecular formula C21H22F2N6O2 and a molecular weight of 428.44 g/mol. Its IUPAC name is 2-[4-(difluoromethyl)-6-(furan-2-yl)-3-methylpyrazolo[5,4-b]pyridin-1-yl]-N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-[4-(difluoromethyl)-6-(furan-2-yl)-3-methylpyrazolo[5,4-b]pyridin-1-yl]-N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]acetamide
PubChem CID19501538
Molecular FormulaC21H22F2N6O2
Molecular Weight428.44 g/mol
Exact Mass428.18
IUPAC Name2-[4-(difluoromethyl)-6-(furan-2-yl)-3-methylpyrazolo[5,4-b]pyridin-1-yl]-N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]acetamide
SMILESCc1nn(CC(=O)NC(C)c2cnn(C)c2C)c2nc(-c3ccco3)cc(C(F)F)c12
InChIInChI=1S/C21H22F2N6O2/c1-11(15-9-24-28(4)13(15)3)25-18(30)10-29-21-19(12(2)27-29)14(20(22)23)8-16(26-21)17-6-5-7-31-17/h5-9,11,20H,10H2,1-4H3,(H,25,30)
InChIKeyRUJMCYYJMXSSST-UHFFFAOYSA-N
XLogP3.86
TPSA90.77 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.44
LogP ≤ 53.86
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-ethyl-3-methylpyrazol-4-yl)ethyl]acetamide
CID 19501453
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
2-[4-(difluoromethyl)-3,6-dimethylpyrazolo[3,4-b]pyridin-1-yl]-N-[1-(1-ethyl-5-methylpyrazol-4-yl)ethyl]acetamide
CID 19497434
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

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-(1,5-dimethylpyrazol-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-(1,5-dimethylpyrazol-4-yl)ethyl]acetamide (CID 19501538) is 2-[4-(difluoromethyl)-6-(furan-2-yl)-3-methylpyrazolo[5,4-b]pyridin-1-yl]-N-[1-(1,5-dimethylpyrazol-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-(1,5-dimethylpyrazol-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-(1,5-dimethylpyrazol-4-yl)ethyl]acetamide is Cc1nn(CC(=O)NC(C)c2cnn(C)c2C)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-[1-(1,5-dimethylpyrazol-4-yl)ethyl]acetamide?
The InChIKey is RUJMCYYJMXSSST-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22F2N6O2/c1-11(15-9-24-28(4)13(15)3)25-18(30)10-29-21-19(12(2)27-29)14(20(22)23)8-16(26-21)17-6-5-7-31-17/h5-9,11,20H,10H2,1-4H3,(H,25,30).
What are the key properties of 2-[4-(difluoromethyl)-6-(furan-2-yl)-3-methylpyrazolo[5,4-b]pyridin-1-yl]-N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]acetamide?
2-[4-(difluoromethyl)-6-(furan-2-yl)-3-methylpyrazolo[5,4-b]pyridin-1-yl]-N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]acetamide has a molecular weight of 428.44 g/mol, XLogP of 3.86, 6 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-(1,5-dimethylpyrazol-4-yl)ethyl]acetamide is sourced from PubChem (CID 19501538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).