N-[[2-(difluoromethoxy)phenyl]methyl]-1,3-dimethyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide

C21H18F2N4O2S — CID 55505229

IUPACN-[[2-(difluoromethoxy)phenyl]methyl]-1,3-dimethyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
SMILESCc1nn(C)c2nc(-c3cccs3)cc(C(=O)NCc3ccccc3OC(F)F)c12
InChIInChI=1S/C21H18F2N4O2S/c1-12-18-14(10-15(17-8-5-9-30-17)25-19(18)27(2)26-12)20(28)24-11-13-6-3-4-7-16(13)29-21(22)23/h3-10,21H,11H2,1-2H3,(H,24,28)
InChIKeyFKLULYWFMDEOSA-UHFFFAOYSA-N
MW428.46 g/mol
LogP4.54
Rot. Bonds6

About N-[[2-(difluoromethoxy)phenyl]methyl]-1,3-dimethyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide

N-[[2-(difluoromethoxy)phenyl]methyl]-1,3-dimethyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 55505229) has the molecular formula C21H18F2N4O2S and a molecular weight of 428.46 g/mol. Its IUPAC name is N-[[2-(difluoromethoxy)phenyl]methyl]-1,3-dimethyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[[2-(difluoromethoxy)phenyl]methyl]-1,3-dimethyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
PubChem CID55505229
Molecular FormulaC21H18F2N4O2S
Molecular Weight428.46 g/mol
Exact Mass428.11
IUPAC NameN-[[2-(difluoromethoxy)phenyl]methyl]-1,3-dimethyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
SMILESCc1nn(C)c2nc(-c3cccs3)cc(C(=O)NCc3ccccc3OC(F)F)c12
InChIInChI=1S/C21H18F2N4O2S/c1-12-18-14(10-15(17-8-5-9-30-17)25-19(18)27(2)26-12)20(28)24-11-13-6-3-4-7-16(13)29-21(22)23/h3-10,21H,11H2,1-2H3,(H,24,28)
InChIKeyFKLULYWFMDEOSA-UHFFFAOYSA-N
XLogP4.54
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.46
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[[2-(difluoromethoxy)phenyl]methyl]-1,3-dimethyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide?
The IUPAC name of N-[[2-(difluoromethoxy)phenyl]methyl]-1,3-dimethyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide (CID 55505229) is N-[[2-(difluoromethoxy)phenyl]methyl]-1,3-dimethyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide.
What is the SMILES notation for N-[[2-(difluoromethoxy)phenyl]methyl]-1,3-dimethyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide?
The canonical SMILES for N-[[2-(difluoromethoxy)phenyl]methyl]-1,3-dimethyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide is Cc1nn(C)c2nc(-c3cccs3)cc(C(=O)NCc3ccccc3OC(F)F)c12.
What is the InChIKey of N-[[2-(difluoromethoxy)phenyl]methyl]-1,3-dimethyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide?
The InChIKey is FKLULYWFMDEOSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18F2N4O2S/c1-12-18-14(10-15(17-8-5-9-30-17)25-19(18)27(2)26-12)20(28)24-11-13-6-3-4-7-16(13)29-21(22)23/h3-10,21H,11H2,1-2H3,(H,24,28).
What are the key properties of N-[[2-(difluoromethoxy)phenyl]methyl]-1,3-dimethyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide?
N-[[2-(difluoromethoxy)phenyl]methyl]-1,3-dimethyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 428.46 g/mol, XLogP of 4.54, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(difluoromethoxy)phenyl]methyl]-1,3-dimethyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 55505229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).