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

C20H16F2N4O2S — CID 16592173

IUPACN-[4-(difluoromethoxy)phenyl]-1-ethyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
SMILESCCn1ncc2c(C(=O)Nc3ccc(OC(F)F)cc3)cc(-c3cccs3)nc21
InChIInChI=1S/C20H16F2N4O2S/c1-2-26-18-15(11-23-26)14(10-16(25-18)17-4-3-9-29-17)19(27)24-12-5-7-13(8-6-12)28-20(21)22/h3-11,20H,2H2,1H3,(H,24,27)
InChIKeyMXLZFGIJFQGUKY-UHFFFAOYSA-N
MW414.44 g/mol
LogP5.03
Rot. Bonds6

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

N-[4-(difluoromethoxy)phenyl]-1-ethyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 16592173) has the molecular formula C20H16F2N4O2S and a molecular weight of 414.44 g/mol. Its IUPAC name is N-[4-(difluoromethoxy)phenyl]-1-ethyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[4-(difluoromethoxy)phenyl]-1-ethyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
PubChem CID16592173
Molecular FormulaC20H16F2N4O2S
Molecular Weight414.44 g/mol
Exact Mass414.10
IUPAC NameN-[4-(difluoromethoxy)phenyl]-1-ethyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
SMILESCCn1ncc2c(C(=O)Nc3ccc(OC(F)F)cc3)cc(-c3cccs3)nc21
InChIInChI=1S/C20H16F2N4O2S/c1-2-26-18-15(11-23-26)14(10-16(25-18)17-4-3-9-29-17)19(27)24-12-5-7-13(8-6-12)28-20(21)22/h3-11,20H,2H2,1H3,(H,24,27)
InChIKeyMXLZFGIJFQGUKY-UHFFFAOYSA-N
XLogP5.03
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.44
LogP ≤ 55.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[4-(difluoromethoxy)phenyl]-1-ethyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide?
The IUPAC name of N-[4-(difluoromethoxy)phenyl]-1-ethyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide (CID 16592173) is N-[4-(difluoromethoxy)phenyl]-1-ethyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide.
What is the SMILES notation for N-[4-(difluoromethoxy)phenyl]-1-ethyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide?
The canonical SMILES for N-[4-(difluoromethoxy)phenyl]-1-ethyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide is CCn1ncc2c(C(=O)Nc3ccc(OC(F)F)cc3)cc(-c3cccs3)nc21.
What is the InChIKey of N-[4-(difluoromethoxy)phenyl]-1-ethyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide?
The InChIKey is MXLZFGIJFQGUKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16F2N4O2S/c1-2-26-18-15(11-23-26)14(10-16(25-18)17-4-3-9-29-17)19(27)24-12-5-7-13(8-6-12)28-20(21)22/h3-11,20H,2H2,1H3,(H,24,27).
What are the key properties of N-[4-(difluoromethoxy)phenyl]-1-ethyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide?
N-[4-(difluoromethoxy)phenyl]-1-ethyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 414.44 g/mol, XLogP of 5.03, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(difluoromethoxy)phenyl]-1-ethyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 16592173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).