6-[4-[(4-methoxyphenyl)methoxy]phenyl]-1-(pyridin-4-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxylic acid

C27H22N4O4 — CID 71600675

IUPAC6-[4-[(4-methoxyphenyl)methoxy]phenyl]-1-(pyridin-4-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxylic acid
SMILESCOc1ccc(COc2ccc(-c3cc(C(=O)O)c4cnn(Cc5ccncc5)c4n3)cc2)cc1
InChIInChI=1S/C27H22N4O4/c1-34-21-6-2-19(3-7-21)17-35-22-8-4-20(5-9-22)25-14-23(27(32)33)24-15-29-31(26(24)30-25)16-18-10-12-28-13-11-18/h2-15H,16-17H2,1H3,(H,32,33)
InChIKeyVLJKVRTVGWWMSD-UHFFFAOYSA-N
MW466.50 g/mol
LogP4.83
Rot. Bonds8

About 6-[4-[(4-methoxyphenyl)methoxy]phenyl]-1-(pyridin-4-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxylic acid

6-[4-[(4-methoxyphenyl)methoxy]phenyl]-1-(pyridin-4-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxylic acid (PubChem CID 71600675) has the molecular formula C27H22N4O4 and a molecular weight of 466.50 g/mol. Its IUPAC name is 6-[4-[(4-methoxyphenyl)methoxy]phenyl]-1-(pyridin-4-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name6-[4-[(4-methoxyphenyl)methoxy]phenyl]-1-(pyridin-4-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxylic acid
PubChem CID71600675
Molecular FormulaC27H22N4O4
Molecular Weight466.50 g/mol
Exact Mass466.16
IUPAC Name6-[4-[(4-methoxyphenyl)methoxy]phenyl]-1-(pyridin-4-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxylic acid
SMILESCOc1ccc(COc2ccc(-c3cc(C(=O)O)c4cnn(Cc5ccncc5)c4n3)cc2)cc1
InChIInChI=1S/C27H22N4O4/c1-34-21-6-2-19(3-7-21)17-35-22-8-4-20(5-9-22)25-14-23(27(32)33)24-15-29-31(26(24)30-25)16-18-10-12-28-13-11-18/h2-15H,16-17H2,1H3,(H,32,33)
InChIKeyVLJKVRTVGWWMSD-UHFFFAOYSA-N
XLogP4.83
TPSA99.36 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.50
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-[4-[(4-methoxyphenyl)methoxy]phenyl]-1-(pyridin-4-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxylic acid?
The IUPAC name of 6-[4-[(4-methoxyphenyl)methoxy]phenyl]-1-(pyridin-4-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxylic acid (CID 71600675) is 6-[4-[(4-methoxyphenyl)methoxy]phenyl]-1-(pyridin-4-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxylic acid.
What is the SMILES notation for 6-[4-[(4-methoxyphenyl)methoxy]phenyl]-1-(pyridin-4-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxylic acid?
The canonical SMILES for 6-[4-[(4-methoxyphenyl)methoxy]phenyl]-1-(pyridin-4-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxylic acid is COc1ccc(COc2ccc(-c3cc(C(=O)O)c4cnn(Cc5ccncc5)c4n3)cc2)cc1.
What is the InChIKey of 6-[4-[(4-methoxyphenyl)methoxy]phenyl]-1-(pyridin-4-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxylic acid?
The InChIKey is VLJKVRTVGWWMSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H22N4O4/c1-34-21-6-2-19(3-7-21)17-35-22-8-4-20(5-9-22)25-14-23(27(32)33)24-15-29-31(26(24)30-25)16-18-10-12-28-13-11-18/h2-15H,16-17H2,1H3,(H,32,33).
What are the key properties of 6-[4-[(4-methoxyphenyl)methoxy]phenyl]-1-(pyridin-4-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxylic acid?
6-[4-[(4-methoxyphenyl)methoxy]phenyl]-1-(pyridin-4-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxylic acid has a molecular weight of 466.50 g/mol, XLogP of 4.83, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[(4-methoxyphenyl)methoxy]phenyl]-1-(pyridin-4-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxylic acid is sourced from PubChem (CID 71600675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).