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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Related Compounds

4-[6-[4-(2-piperidin-1-ylethoxy)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide
CID 24759534
US10100058, Example 348
CID 134539892
4-methoxy-N-(2-phenyl-5-thiophen-2-ylpyrazolo[4,3-d]pyrimidin-7-yl)benzamide
CID 127036560
N-(1-butyl-6-methoxypyrazolo[3,4-b]quinolin-3-yl)thiophene-2-carboxamide
CID 665522
N-(6-methoxy-1-propylpyrazolo[3,4-b]quinolin-3-yl)thiophene-2-carboxamide
CID 665826
Ethyl 3-methyl-1-pyridin-2-yl-6-thiophen-2-ylpyrazolo[3,4-b]pyridine-4-carboxylate
CID 3583690
N-[6-[3-[(3-fluorobenzoyl)amino]phenoxy]imidazo[1,2-b]pyridazin-2-yl]-3-methylthiophene-2-carboxamide
CID 59175242
4-[6-[4-(2-methoxyethoxy)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide
CID 70841494
N-(4-fluorophenyl)-1-propan-2-yl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 137647865
4-methyl-N-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-3-(1-methyl-6-thiophen-3-ylpyrazolo[3,4-d]pyrimidin-4-yl)oxybenzamide
CID 146556195
2-{[3-(1-ethylpiperidin-4-yl)-1-(propan-2-yl)-1H-pyrazol-5-yl]amino}-7-[2-(trifluoromethoxy)phenyl]thieno[3,2-d]pyrimidine-6-carboxamide
CID 71737886
N-[6-methoxy-1-(2-methylpropyl)pyrazolo[3,4-b]quinolin-3-yl]thiophene-2-carboxamide
CID 665435

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).