1-(4-fluorophenyl)-N-[1-(2-methoxy-6-methylsulfanyl-4-pyridinyl)ethyl]pyrazolo[5,4-c]pyridine-4-carboxamide

C22H20FN5O2S — CID 143965437

IUPAC1-(4-fluorophenyl)-N-[1-(2-methoxy-6-methylsulfanyl-4-pyridinyl)ethyl]pyrazolo[5,4-c]pyridine-4-carboxamide
SMILESCOc1cc(C(C)NC(=O)c2cncc3c2cnn3-c2ccc(F)cc2)cc(SC)n1
InChIInChI=1S/C22H20FN5O2S/c1-13(14-8-20(30-2)27-21(9-14)31-3)26-22(29)18-10-24-12-19-17(18)11-25-28(19)16-6-4-15(23)5-7-16/h4-13H,1-3H3,(H,26,29)
InChIKeyQLNDWKTVKRTHIL-UHFFFAOYSA-N
MW437.50 g/mol
LogP4.18
Rot. Bonds6

About 1-(4-fluorophenyl)-N-[1-(2-methoxy-6-methylsulfanyl-4-pyridinyl)ethyl]pyrazolo[5,4-c]pyridine-4-carboxamide

1-(4-fluorophenyl)-N-[1-(2-methoxy-6-methylsulfanyl-4-pyridinyl)ethyl]pyrazolo[5,4-c]pyridine-4-carboxamide (PubChem CID 143965437) has the molecular formula C22H20FN5O2S and a molecular weight of 437.50 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-N-[1-(2-methoxy-6-methylsulfanyl-4-pyridinyl)ethyl]pyrazolo[5,4-c]pyridine-4-carboxamide.

Molecular Properties

Compound Name1-(4-fluorophenyl)-N-[1-(2-methoxy-6-methylsulfanyl-4-pyridinyl)ethyl]pyrazolo[5,4-c]pyridine-4-carboxamide
PubChem CID143965437
Molecular FormulaC22H20FN5O2S
Molecular Weight437.50 g/mol
Exact Mass437.13
IUPAC Name1-(4-fluorophenyl)-N-[1-(2-methoxy-6-methylsulfanyl-4-pyridinyl)ethyl]pyrazolo[5,4-c]pyridine-4-carboxamide
SMILESCOc1cc(C(C)NC(=O)c2cncc3c2cnn3-c2ccc(F)cc2)cc(SC)n1
InChIInChI=1S/C22H20FN5O2S/c1-13(14-8-20(30-2)27-21(9-14)31-3)26-22(29)18-10-24-12-19-17(18)11-25-28(19)16-6-4-15(23)5-7-16/h4-13H,1-3H3,(H,26,29)
InChIKeyQLNDWKTVKRTHIL-UHFFFAOYSA-N
XLogP4.18
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.50
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1-(4-fluorophenyl)-N-[1-(2-methylsulfonyl-4-pyridinyl)butyl]pyrazolo[5,4-c]pyridine-4-carboxamide
CID 45138759
1-(4-Fluorophenyl)-1H-pyrazolo[3,4-c]pyridine-4-carboxylic acid [(S)-1-(2-methanesulfonyl-pyridin-4-yl)-propyl]-amide
CID 59278286
1-(4-fluorophenyl)-N-[1-(2-methylsulfonyl-4-pyridinyl)propyl]pyrazolo[5,4-c]pyridine-4-carboxamide
CID 59278332
1-(4-Fluorophenyl)-1H-pyrazolo[3,4-c]pyridine-4-carboxylic acid (6-methanesulfonyl-pyridin-3-ylmethyl)-amide
CID 45138010
1-(4-fluorophenyl)-N-[1-(2-methylsulfonyl-4-pyridinyl)ethyl]pyrazolo[5,4-c]pyridine-4-carboxamide
CID 59278115
CCR1 antagonist 9
CID 59278314
1-(4-fluorophenyl)-7-methoxy-N-{[4-(methylsulfamoyl)phenyl]methyl}-1H-pyrazolo[3,4-c]pyridine-4-carboxamide
CID 133084072
5-amino-N-[1-(2-methoxy-4-pyridinyl)azetidin-3-yl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide
CID 137653452
US11787810, Example 116
CID 162358916
US11787810, Example 100
CID 162359260
7-fluoro-N-[2-(6-methoxy-1,5-naphthyridin-4-yl)-4,5,6,7-tetrahydroindazol-5-yl]-3-oxo-4H-1,4-benzothiazine-6-carboxamide
CID 11656334
5,7-difluoro-N-[2-(6-methoxy-1,5-naphthyridin-4-yl)-4,5,6,7-tetrahydroindazol-5-yl]-3-oxo-4H-1,4-benzothiazine-6-carboxamide
CID 44430114

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-N-[1-(2-methoxy-6-methylsulfanyl-4-pyridinyl)ethyl]pyrazolo[5,4-c]pyridine-4-carboxamide?
The IUPAC name of 1-(4-fluorophenyl)-N-[1-(2-methoxy-6-methylsulfanyl-4-pyridinyl)ethyl]pyrazolo[5,4-c]pyridine-4-carboxamide (CID 143965437) is 1-(4-fluorophenyl)-N-[1-(2-methoxy-6-methylsulfanyl-4-pyridinyl)ethyl]pyrazolo[5,4-c]pyridine-4-carboxamide.
What is the SMILES notation for 1-(4-fluorophenyl)-N-[1-(2-methoxy-6-methylsulfanyl-4-pyridinyl)ethyl]pyrazolo[5,4-c]pyridine-4-carboxamide?
The canonical SMILES for 1-(4-fluorophenyl)-N-[1-(2-methoxy-6-methylsulfanyl-4-pyridinyl)ethyl]pyrazolo[5,4-c]pyridine-4-carboxamide is COc1cc(C(C)NC(=O)c2cncc3c2cnn3-c2ccc(F)cc2)cc(SC)n1.
What is the InChIKey of 1-(4-fluorophenyl)-N-[1-(2-methoxy-6-methylsulfanyl-4-pyridinyl)ethyl]pyrazolo[5,4-c]pyridine-4-carboxamide?
The InChIKey is QLNDWKTVKRTHIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20FN5O2S/c1-13(14-8-20(30-2)27-21(9-14)31-3)26-22(29)18-10-24-12-19-17(18)11-25-28(19)16-6-4-15(23)5-7-16/h4-13H,1-3H3,(H,26,29).
What are the key properties of 1-(4-fluorophenyl)-N-[1-(2-methoxy-6-methylsulfanyl-4-pyridinyl)ethyl]pyrazolo[5,4-c]pyridine-4-carboxamide?
1-(4-fluorophenyl)-N-[1-(2-methoxy-6-methylsulfanyl-4-pyridinyl)ethyl]pyrazolo[5,4-c]pyridine-4-carboxamide has a molecular weight of 437.50 g/mol, XLogP of 4.18, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-N-[1-(2-methoxy-6-methylsulfanyl-4-pyridinyl)ethyl]pyrazolo[5,4-c]pyridine-4-carboxamide is sourced from PubChem (CID 143965437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).