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

C22H16F4N4O — CID 19501638

IUPAC2-[4-(difluoromethyl)-3-methyl-6-phenylpyrazolo[5,4-b]pyridin-1-yl]-N-(2,4-difluorophenyl)acetamide
SMILESCc1nn(CC(=O)Nc2ccc(F)cc2F)c2nc(-c3ccccc3)cc(C(F)F)c12
InChIInChI=1S/C22H16F4N4O/c1-12-20-15(21(25)26)10-18(13-5-3-2-4-6-13)28-22(20)30(29-12)11-19(31)27-17-8-7-14(23)9-16(17)24/h2-10,21H,11H2,1H3,(H,27,31)
InChIKeyDUPINGGLFGWPMS-UHFFFAOYSA-N
MW428.39 g/mol
LogP5.26
Rot. Bonds5

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

2-[4-(difluoromethyl)-3-methyl-6-phenylpyrazolo[5,4-b]pyridin-1-yl]-N-(2,4-difluorophenyl)acetamide (PubChem CID 19501638) has the molecular formula C22H16F4N4O and a molecular weight of 428.39 g/mol. Its IUPAC name is 2-[4-(difluoromethyl)-3-methyl-6-phenylpyrazolo[5,4-b]pyridin-1-yl]-N-(2,4-difluorophenyl)acetamide.

Molecular Properties

Compound Name2-[4-(difluoromethyl)-3-methyl-6-phenylpyrazolo[5,4-b]pyridin-1-yl]-N-(2,4-difluorophenyl)acetamide
PubChem CID19501638
Molecular FormulaC22H16F4N4O
Molecular Weight428.39 g/mol
Exact Mass428.13
IUPAC Name2-[4-(difluoromethyl)-3-methyl-6-phenylpyrazolo[5,4-b]pyridin-1-yl]-N-(2,4-difluorophenyl)acetamide
SMILESCc1nn(CC(=O)Nc2ccc(F)cc2F)c2nc(-c3ccccc3)cc(C(F)F)c12
InChIInChI=1S/C22H16F4N4O/c1-12-20-15(21(25)26)10-18(13-5-3-2-4-6-13)28-22(20)30(29-12)11-19(31)27-17-8-7-14(23)9-16(17)24/h2-10,21H,11H2,1H3,(H,27,31)
InChIKeyDUPINGGLFGWPMS-UHFFFAOYSA-N
XLogP5.26
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.39
LogP ≤ 55.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(difluoromethyl)-3-methyl-6-phenylpyrazolo[5,4-b]pyridin-1-yl]-N-(2,4-dimethylphenyl)acetamide
CID 19501586
N-[2-(difluoromethoxy)phenyl]-2-[4-(difluoromethyl)-3-methyl-6-phenylpyrazolo[5,4-b]pyridin-1-yl]acetamide
CID 19501739
2-[4-(difluoromethyl)-3-methyl-6-phenylpyrazolo[5,4-b]pyridin-1-yl]-N-(3,4-difluorophenyl)acetamide
CID 19501643
2-[6-cyclopropyl-4-(difluoromethyl)-3-methylpyrazolo[5,4-b]pyridin-1-yl]-N-(2,4-difluorophenyl)acetamide
CID 19499506
N-(3-chloro-4-fluorophenyl)-2-[4-(difluoromethyl)-3-methyl-6-phenylpyrazolo[5,4-b]pyridin-1-yl]acetamide
CID 19501644
N-(5-chloro-2-pyridinyl)-2-[4-(difluoromethyl)-3-methyl-6-phenylpyrazolo[5,4-b]pyridin-1-yl]acetamide
CID 19501625
N-(2-chloro-4-nitrophenyl)-2-[4-(difluoromethyl)-3-methyl-6-phenylpyrazolo[5,4-b]pyridin-1-yl]acetamide
CID 19501661
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-(3-chlorophenyl)-2-[4-(difluoromethyl)-3-methyl-6-phenylpyrazolo[5,4-b]pyridin-1-yl]acetamide
CID 19501703
N-(1-benzyl-5-methylpyrazol-3-yl)-2-[4-(difluoromethyl)-3-methyl-6-phenylpyrazolo[5,4-b]pyridin-1-yl]acetamide
CID 19501827
2-[4-(difluoromethyl)-3-methyl-6-phenylpyrazolo[5,4-b]pyridin-1-yl]-N-[3,5-dimethyl-1-[(4-methylphenyl)methyl]pyrazol-4-yl]acetamide
CID 19501633

Frequently Asked Questions

What is the IUPAC name of 2-[4-(difluoromethyl)-3-methyl-6-phenylpyrazolo[5,4-b]pyridin-1-yl]-N-(2,4-difluorophenyl)acetamide?
The IUPAC name of 2-[4-(difluoromethyl)-3-methyl-6-phenylpyrazolo[5,4-b]pyridin-1-yl]-N-(2,4-difluorophenyl)acetamide (CID 19501638) is 2-[4-(difluoromethyl)-3-methyl-6-phenylpyrazolo[5,4-b]pyridin-1-yl]-N-(2,4-difluorophenyl)acetamide.
What is the SMILES notation for 2-[4-(difluoromethyl)-3-methyl-6-phenylpyrazolo[5,4-b]pyridin-1-yl]-N-(2,4-difluorophenyl)acetamide?
The canonical SMILES for 2-[4-(difluoromethyl)-3-methyl-6-phenylpyrazolo[5,4-b]pyridin-1-yl]-N-(2,4-difluorophenyl)acetamide is Cc1nn(CC(=O)Nc2ccc(F)cc2F)c2nc(-c3ccccc3)cc(C(F)F)c12.
What is the InChIKey of 2-[4-(difluoromethyl)-3-methyl-6-phenylpyrazolo[5,4-b]pyridin-1-yl]-N-(2,4-difluorophenyl)acetamide?
The InChIKey is DUPINGGLFGWPMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16F4N4O/c1-12-20-15(21(25)26)10-18(13-5-3-2-4-6-13)28-22(20)30(29-12)11-19(31)27-17-8-7-14(23)9-16(17)24/h2-10,21H,11H2,1H3,(H,27,31).
What are the key properties of 2-[4-(difluoromethyl)-3-methyl-6-phenylpyrazolo[5,4-b]pyridin-1-yl]-N-(2,4-difluorophenyl)acetamide?
2-[4-(difluoromethyl)-3-methyl-6-phenylpyrazolo[5,4-b]pyridin-1-yl]-N-(2,4-difluorophenyl)acetamide has a molecular weight of 428.39 g/mol, XLogP of 5.26, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(difluoromethyl)-3-methyl-6-phenylpyrazolo[5,4-b]pyridin-1-yl]-N-(2,4-difluorophenyl)acetamide is sourced from PubChem (CID 19501638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).