5-[5-(difluoromethoxy)pyrazolo[1,5-a]pyridin-6-yl]thiophene-2-carbaldehyde

C13H8F2N2O2S — CID 178133976

IUPAC5-[5-(difluoromethoxy)pyrazolo[1,5-a]pyridin-6-yl]thiophene-2-carbaldehyde
SMILESO=Cc1ccc(-c2cn3nccc3cc2OC(F)F)s1
InChIInChI=1S/C13H8F2N2O2S/c14-13(15)19-11-5-8-3-4-16-17(8)6-10(11)12-2-1-9(7-18)20-12/h1-7,13H
InChIKeyMQJDODUGHPYTAK-UHFFFAOYSA-N
MW294.28 g/mol
LogP3.48
Rot. Bonds4

About 5-[5-(difluoromethoxy)pyrazolo[1,5-a]pyridin-6-yl]thiophene-2-carbaldehyde

5-[5-(difluoromethoxy)pyrazolo[1,5-a]pyridin-6-yl]thiophene-2-carbaldehyde (PubChem CID 178133976) has the molecular formula C13H8F2N2O2S and a molecular weight of 294.28 g/mol. Its IUPAC name is 5-[5-(difluoromethoxy)pyrazolo[1,5-a]pyridin-6-yl]thiophene-2-carbaldehyde.

Molecular Properties

Compound Name5-[5-(difluoromethoxy)pyrazolo[1,5-a]pyridin-6-yl]thiophene-2-carbaldehyde
PubChem CID178133976
Molecular FormulaC13H8F2N2O2S
Molecular Weight294.28 g/mol
Exact Mass294.03
IUPAC Name5-[5-(difluoromethoxy)pyrazolo[1,5-a]pyridin-6-yl]thiophene-2-carbaldehyde
SMILESO=Cc1ccc(-c2cn3nccc3cc2OC(F)F)s1
InChIInChI=1S/C13H8F2N2O2S/c14-13(15)19-11-5-8-3-4-16-17(8)6-10(11)12-2-1-9(7-18)20-12/h1-7,13H
InChIKeyMQJDODUGHPYTAK-UHFFFAOYSA-N
XLogP3.48
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.28
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

5-(Pyrazolo[1,5-a]pyridin-3-yl)-3-(2-(trifluoromethyl)benzyloxy)thiophene-2-carboxamide
CID 45267745
5-methoxy-2-methyl-N-[[5-[4-(trifluoromethoxy)phenyl]-2-thienyl]methyl]pyrazolo[1,5-a]pyridine-3-carboxamide
CID 155537190
5-(Difluoromethyl)-4-pyrazolo[1,5-a]pyridin-3-ylthiophene-2-carboxylic acid
CID 58385984
5-[1-[2-[4-(Trifluoromethoxy)phenyl]ethyl]pyrazol-3-yl]thiophene-2-carboxylic acid
CID 58657326
2-(5-methoxythiophen-2-yl)-4-methyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one
CID 68045107
methyl 4-(1-(2,6-difluorophenyl)-4-methoxy-1H-pyrazolo[4,3-c]pyridin-3-yl)thiophene-2-carboxylate
CID 117988024
2,5-dimethyl-N-[[5-[4-(trifluoromethoxy)phenyl]thiophen-2-yl]methyl]pyrazolo[1,5-a]pyridine-3-carboxamide
CID 132054606
4-[1-(2,6-Difluorophenyl)-4-methoxypyrazolo[4,3-c]pyridin-3-yl]thiophene-2-carboxylic acid
CID 141388937
1-ethyl-4-phenyl-3-(trifluoromethyl)pyrazole;1-[2-(furan-2-yl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl]prop-2-en-1-one
CID 156810247
1-(2,5-Dimethylpyrazolo[1,5-a]pyridin-3-yl)-3-[5-[4-(trifluoromethoxy)phenyl]thiophen-2-yl]propan-1-one
CID 160291672
(3R,5S)-5-tert-butyl-1-[[5-[5-(difluoromethoxy)pyrazolo[1,5-a]pyridin-6-yl]thiophen-2-yl]methyl]piperidine-3-carboxylic acid
CID 178134092
5-[6-(Difluoromethoxy)pyrazolo[1,5-a]pyridin-7-yl]thiophene-2-carbaldehyde
CID 178134388

Frequently Asked Questions

What is the IUPAC name of 5-[5-(difluoromethoxy)pyrazolo[1,5-a]pyridin-6-yl]thiophene-2-carbaldehyde?
The IUPAC name of 5-[5-(difluoromethoxy)pyrazolo[1,5-a]pyridin-6-yl]thiophene-2-carbaldehyde (CID 178133976) is 5-[5-(difluoromethoxy)pyrazolo[1,5-a]pyridin-6-yl]thiophene-2-carbaldehyde.
What is the SMILES notation for 5-[5-(difluoromethoxy)pyrazolo[1,5-a]pyridin-6-yl]thiophene-2-carbaldehyde?
The canonical SMILES for 5-[5-(difluoromethoxy)pyrazolo[1,5-a]pyridin-6-yl]thiophene-2-carbaldehyde is O=Cc1ccc(-c2cn3nccc3cc2OC(F)F)s1.
What is the InChIKey of 5-[5-(difluoromethoxy)pyrazolo[1,5-a]pyridin-6-yl]thiophene-2-carbaldehyde?
The InChIKey is MQJDODUGHPYTAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8F2N2O2S/c14-13(15)19-11-5-8-3-4-16-17(8)6-10(11)12-2-1-9(7-18)20-12/h1-7,13H.
What are the key properties of 5-[5-(difluoromethoxy)pyrazolo[1,5-a]pyridin-6-yl]thiophene-2-carbaldehyde?
5-[5-(difluoromethoxy)pyrazolo[1,5-a]pyridin-6-yl]thiophene-2-carbaldehyde has a molecular weight of 294.28 g/mol, XLogP of 3.48, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-(difluoromethoxy)pyrazolo[1,5-a]pyridin-6-yl]thiophene-2-carbaldehyde is sourced from PubChem (CID 178133976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).