4-[4-methoxy-1-[(4-methoxyphenyl)methyl]pyrazolo[4,3-c]pyridin-3-yl]thiophene-2-carboxylic acid

C20H17N3O4S — CID 141388904

IUPAC4-[4-methoxy-1-[(4-methoxyphenyl)methyl]pyrazolo[4,3-c]pyridin-3-yl]thiophene-2-carboxylic acid
SMILESCOc1ccc(Cn2nc(-c3csc(C(=O)O)c3)c3c(OC)nccc32)cc1
InChIInChI=1S/C20H17N3O4S/c1-26-14-5-3-12(4-6-14)10-23-15-7-8-21-19(27-2)17(15)18(22-23)13-9-16(20(24)25)28-11-13/h3-9,11H,10H2,1-2H3,(H,24,25)
InChIKeyKDTQRUPORSCYGY-UHFFFAOYSA-N
MW395.44 g/mol
LogP3.92
Rot. Bonds6

About 4-[4-methoxy-1-[(4-methoxyphenyl)methyl]pyrazolo[4,3-c]pyridin-3-yl]thiophene-2-carboxylic acid

4-[4-methoxy-1-[(4-methoxyphenyl)methyl]pyrazolo[4,3-c]pyridin-3-yl]thiophene-2-carboxylic acid (PubChem CID 141388904) has the molecular formula C20H17N3O4S and a molecular weight of 395.44 g/mol. Its IUPAC name is 4-[4-methoxy-1-[(4-methoxyphenyl)methyl]pyrazolo[4,3-c]pyridin-3-yl]thiophene-2-carboxylic acid.

Molecular Properties

Compound Name4-[4-methoxy-1-[(4-methoxyphenyl)methyl]pyrazolo[4,3-c]pyridin-3-yl]thiophene-2-carboxylic acid
PubChem CID141388904
Molecular FormulaC20H17N3O4S
Molecular Weight395.44 g/mol
Exact Mass395.09
IUPAC Name4-[4-methoxy-1-[(4-methoxyphenyl)methyl]pyrazolo[4,3-c]pyridin-3-yl]thiophene-2-carboxylic acid
SMILESCOc1ccc(Cn2nc(-c3csc(C(=O)O)c3)c3c(OC)nccc32)cc1
InChIInChI=1S/C20H17N3O4S/c1-26-14-5-3-12(4-6-14)10-23-15-7-8-21-19(27-2)17(15)18(22-23)13-9-16(20(24)25)28-11-13/h3-9,11H,10H2,1-2H3,(H,24,25)
InChIKeyKDTQRUPORSCYGY-UHFFFAOYSA-N
XLogP3.92
TPSA86.47 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.44
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[4-methoxy-1-[(4-methoxyphenyl)methyl]pyrazolo[4,3-c]pyridin-3-yl]thiophene-2-carboxylic acid?
The IUPAC name of 4-[4-methoxy-1-[(4-methoxyphenyl)methyl]pyrazolo[4,3-c]pyridin-3-yl]thiophene-2-carboxylic acid (CID 141388904) is 4-[4-methoxy-1-[(4-methoxyphenyl)methyl]pyrazolo[4,3-c]pyridin-3-yl]thiophene-2-carboxylic acid.
What is the SMILES notation for 4-[4-methoxy-1-[(4-methoxyphenyl)methyl]pyrazolo[4,3-c]pyridin-3-yl]thiophene-2-carboxylic acid?
The canonical SMILES for 4-[4-methoxy-1-[(4-methoxyphenyl)methyl]pyrazolo[4,3-c]pyridin-3-yl]thiophene-2-carboxylic acid is COc1ccc(Cn2nc(-c3csc(C(=O)O)c3)c3c(OC)nccc32)cc1.
What is the InChIKey of 4-[4-methoxy-1-[(4-methoxyphenyl)methyl]pyrazolo[4,3-c]pyridin-3-yl]thiophene-2-carboxylic acid?
The InChIKey is KDTQRUPORSCYGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3O4S/c1-26-14-5-3-12(4-6-14)10-23-15-7-8-21-19(27-2)17(15)18(22-23)13-9-16(20(24)25)28-11-13/h3-9,11H,10H2,1-2H3,(H,24,25).
What are the key properties of 4-[4-methoxy-1-[(4-methoxyphenyl)methyl]pyrazolo[4,3-c]pyridin-3-yl]thiophene-2-carboxylic acid?
4-[4-methoxy-1-[(4-methoxyphenyl)methyl]pyrazolo[4,3-c]pyridin-3-yl]thiophene-2-carboxylic acid has a molecular weight of 395.44 g/mol, XLogP of 3.92, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-methoxy-1-[(4-methoxyphenyl)methyl]pyrazolo[4,3-c]pyridin-3-yl]thiophene-2-carboxylic acid is sourced from PubChem (CID 141388904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).