2-[4,6-bis(difluoromethyl)-3-methylpyrazolo[5,4-b]pyridin-1-yl]-N-[2-(difluoromethoxy)-4-fluorophenyl]acetamide

C18H13F7N4O2 — CID 19499396

IUPAC2-[4,6-bis(difluoromethyl)-3-methylpyrazolo[5,4-b]pyridin-1-yl]-N-[2-(difluoromethoxy)-4-fluorophenyl]acetamide
SMILESCc1nn(CC(=O)Nc2ccc(F)cc2OC(F)F)c2nc(C(F)F)cc(C(F)F)c12
InChIInChI=1S/C18H13F7N4O2/c1-7-14-9(15(20)21)5-11(16(22)23)27-17(14)29(28-7)6-13(30)26-10-3-2-8(19)4-12(10)31-18(24)25/h2-5,15-16,18H,6H2,1H3,(H,26,30)
InChIKeyCUSCIABRHGUIIL-UHFFFAOYSA-N
MW450.31 g/mol
LogP4.99
Rot. Bonds7

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

2-[4,6-bis(difluoromethyl)-3-methylpyrazolo[5,4-b]pyridin-1-yl]-N-[2-(difluoromethoxy)-4-fluorophenyl]acetamide (PubChem CID 19499396) has the molecular formula C18H13F7N4O2 and a molecular weight of 450.31 g/mol. Its IUPAC name is 2-[4,6-bis(difluoromethyl)-3-methylpyrazolo[5,4-b]pyridin-1-yl]-N-[2-(difluoromethoxy)-4-fluorophenyl]acetamide.

Molecular Properties

Compound Name2-[4,6-bis(difluoromethyl)-3-methylpyrazolo[5,4-b]pyridin-1-yl]-N-[2-(difluoromethoxy)-4-fluorophenyl]acetamide
PubChem CID19499396
Molecular FormulaC18H13F7N4O2
Molecular Weight450.31 g/mol
Exact Mass450.09
IUPAC Name2-[4,6-bis(difluoromethyl)-3-methylpyrazolo[5,4-b]pyridin-1-yl]-N-[2-(difluoromethoxy)-4-fluorophenyl]acetamide
SMILESCc1nn(CC(=O)Nc2ccc(F)cc2OC(F)F)c2nc(C(F)F)cc(C(F)F)c12
InChIInChI=1S/C18H13F7N4O2/c1-7-14-9(15(20)21)5-11(16(22)23)27-17(14)29(28-7)6-13(30)26-10-3-2-8(19)4-12(10)31-18(24)25/h2-5,15-16,18H,6H2,1H3,(H,26,30)
InChIKeyCUSCIABRHGUIIL-UHFFFAOYSA-N
XLogP4.99
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.31
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(difluoromethoxy)phenyl]-2-[4-(difluoromethyl)-3-methyl-6-phenylpyrazolo[5,4-b]pyridin-1-yl]acetamide
CID 19501739
N-[2-(difluoromethoxy)-4-fluorophenyl]-2-(3,5-dimethylpyrazol-1-yl)acetamide
CID 19525992
2-[4,6-bis(difluoromethyl)-3-methylpyrazolo[5,4-b]pyridin-1-yl]-N-(1-ethyl-5-methylpyrazol-3-yl)acetamide
CID 19499435
2-[6-cyclopropyl-4-(difluoromethyl)-3-methylpyrazolo[5,4-b]pyridin-1-yl]-N-(2,4-difluorophenyl)acetamide
CID 19499506
N-(4-acetylphenyl)-2-[4,6-bis(difluoromethyl)-3-methylpyrazolo[5,4-b]pyridin-1-yl]acetamide
CID 19497627
2-[4,6-bis(difluoromethyl)-3-methylpyrazolo[5,4-b]pyridin-1-yl]-N-(3-chloro-4-methoxyphenyl)acetamide
CID 19497589
2-[4-(difluoromethyl)-3-methyl-6-phenylpyrazolo[5,4-b]pyridin-1-yl]-N-(2,4-difluorophenyl)acetamide
CID 19501638
N-[2-(difluoromethoxy)-4-fluorophenyl]-2-(3-methyl-4-thiophen-2-ylpyrazolo[3,4-b]pyridin-1-yl)acetamide
CID 19470198
N-[4-(difluoromethoxy)phenyl]-2-[4-(difluoromethyl)-3,6-dimethylpyrazolo[3,4-b]pyridin-1-yl]acetamide
CID 19497415
N-(1-benzyl-5-methylpyrazol-3-yl)-2-[4,6-bis(difluoromethyl)-3-methylpyrazolo[5,4-b]pyridin-1-yl]acetamide
CID 19499402
N-[2-(difluoromethoxy)-4-fluorophenyl]-2-(3-methylpyrazol-1-yl)acetamide
CID 19517063
2-[4,6-bis(difluoromethyl)-3-methylpyrazolo[5,4-b]pyridin-1-yl]-N-[4-(piperidin-1-ylmethyl)phenyl]acetamide
CID 19499300

Frequently Asked Questions

What is the IUPAC name of 2-[4,6-bis(difluoromethyl)-3-methylpyrazolo[5,4-b]pyridin-1-yl]-N-[2-(difluoromethoxy)-4-fluorophenyl]acetamide?
The IUPAC name of 2-[4,6-bis(difluoromethyl)-3-methylpyrazolo[5,4-b]pyridin-1-yl]-N-[2-(difluoromethoxy)-4-fluorophenyl]acetamide (CID 19499396) is 2-[4,6-bis(difluoromethyl)-3-methylpyrazolo[5,4-b]pyridin-1-yl]-N-[2-(difluoromethoxy)-4-fluorophenyl]acetamide.
What is the SMILES notation for 2-[4,6-bis(difluoromethyl)-3-methylpyrazolo[5,4-b]pyridin-1-yl]-N-[2-(difluoromethoxy)-4-fluorophenyl]acetamide?
The canonical SMILES for 2-[4,6-bis(difluoromethyl)-3-methylpyrazolo[5,4-b]pyridin-1-yl]-N-[2-(difluoromethoxy)-4-fluorophenyl]acetamide is Cc1nn(CC(=O)Nc2ccc(F)cc2OC(F)F)c2nc(C(F)F)cc(C(F)F)c12.
What is the InChIKey of 2-[4,6-bis(difluoromethyl)-3-methylpyrazolo[5,4-b]pyridin-1-yl]-N-[2-(difluoromethoxy)-4-fluorophenyl]acetamide?
The InChIKey is CUSCIABRHGUIIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13F7N4O2/c1-7-14-9(15(20)21)5-11(16(22)23)27-17(14)29(28-7)6-13(30)26-10-3-2-8(19)4-12(10)31-18(24)25/h2-5,15-16,18H,6H2,1H3,(H,26,30).
What are the key properties of 2-[4,6-bis(difluoromethyl)-3-methylpyrazolo[5,4-b]pyridin-1-yl]-N-[2-(difluoromethoxy)-4-fluorophenyl]acetamide?
2-[4,6-bis(difluoromethyl)-3-methylpyrazolo[5,4-b]pyridin-1-yl]-N-[2-(difluoromethoxy)-4-fluorophenyl]acetamide has a molecular weight of 450.31 g/mol, XLogP of 4.99, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4,6-bis(difluoromethyl)-3-methylpyrazolo[5,4-b]pyridin-1-yl]-N-[2-(difluoromethoxy)-4-fluorophenyl]acetamide is sourced from PubChem (CID 19499396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).