6-(4-carboxy-3-methoxyphenyl)-1-(pyridin-4-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxylic acid

C21H16N4O5 — CID 71600402

IUPAC6-(4-carboxy-3-methoxyphenyl)-1-(pyridin-4-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxylic acid
SMILESCOc1cc(-c2cc(C(=O)O)c3cnn(Cc4ccncc4)c3n2)ccc1C(=O)O
InChIInChI=1S/C21H16N4O5/c1-30-18-8-13(2-3-14(18)20(26)27)17-9-15(21(28)29)16-10-23-25(19(16)24-17)11-12-4-6-22-7-5-12/h2-10H,11H2,1H3,(H,26,27)(H,28,29)
InChIKeyZRFWDNFGRKUGTK-UHFFFAOYSA-N
MW404.38 g/mol
LogP2.95
Rot. Bonds6

About 6-(4-carboxy-3-methoxyphenyl)-1-(pyridin-4-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxylic acid

6-(4-carboxy-3-methoxyphenyl)-1-(pyridin-4-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxylic acid (PubChem CID 71600402) has the molecular formula C21H16N4O5 and a molecular weight of 404.38 g/mol. Its IUPAC name is 6-(4-carboxy-3-methoxyphenyl)-1-(pyridin-4-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name6-(4-carboxy-3-methoxyphenyl)-1-(pyridin-4-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxylic acid
PubChem CID71600402
Molecular FormulaC21H16N4O5
Molecular Weight404.38 g/mol
Exact Mass404.11
IUPAC Name6-(4-carboxy-3-methoxyphenyl)-1-(pyridin-4-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxylic acid
SMILESCOc1cc(-c2cc(C(=O)O)c3cnn(Cc4ccncc4)c3n2)ccc1C(=O)O
InChIInChI=1S/C21H16N4O5/c1-30-18-8-13(2-3-14(18)20(26)27)17-9-15(21(28)29)16-10-23-25(19(16)24-17)11-12-4-6-22-7-5-12/h2-10H,11H2,1H3,(H,26,27)(H,28,29)
InChIKeyZRFWDNFGRKUGTK-UHFFFAOYSA-N
XLogP2.95
TPSA127.43 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.38
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

6-phenyl-1-[(pyridin-4-yl)methyl]-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid
CID 7064016
7,10-Dioxa-13,17,18,21-tetrazatetracyclo[12.5.2.12,6.017,20]docosa-1(20),2(22),3,5,14(21),15,18-heptaene-5-carboxylic acid
CID 136932878
Tert-butyl 2-[4-[4-amino-1-[2-[4-(dimethylamino)piperidin-1-yl]ethyl]pyrazolo[3,4-d]pyrimidin-3-yl]-2-methoxyphenyl]acetate
CID 124088864
(2-hydroxyphenyl)[3-methyl-1-(pyridin-2-yl)-1H-pyrazolo[3,4-b]pyridin-5-yl]methanone
CID 16259746
6-[4-(Benzyloxy)phenyl]-1-(Pyridin-4-Ylmethyl)-1h-Pyrazolo[3,4-B]pyridine-4-Carboxylic Acid
CID 60196212
6-(4-Benzoylphenyl)-1-(Pyridin-4-Ylmethyl)-1h-Pyrazolo[3,4-B]pyridine-4-Carboxylic Acid
CID 60196213
4-[(E)-[[1-(3-methoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]hydrazinylidene]methyl]benzoic acid
CID 9604961
4-[[4-[7-cyclohexyl-3-(1H-tetrazol-5-yl)pyrazolo[1,5-a]pyrimidin-6-yl]phenoxy]methyl]benzoic acid
CID 15958080
2-(5-(3-methoxy-4-methylphenyl)-1H-pyrazol-1-yl)isonicotinic acid
CID 76901619
2-Methoxy-4-[8-morpholin-4-yl-2-(2-quinolin-2-ylethynyl)imidazo[1,2-b]pyridazin-3-yl]benzoic acid
CID 117728466
4-[(1E)-{2-[1-(3-methoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]hydrazin-1-ylidene}methyl]benzoic acid
CID 91895700
6-(4-Methoxyphenyl)-3-methyl-1-pyridin-2-ylpyrazolo[5,4-b]pyridine-4-carboxylic acid
CID 2088728

Frequently Asked Questions

What is the IUPAC name of 6-(4-carboxy-3-methoxyphenyl)-1-(pyridin-4-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxylic acid?
The IUPAC name of 6-(4-carboxy-3-methoxyphenyl)-1-(pyridin-4-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxylic acid (CID 71600402) is 6-(4-carboxy-3-methoxyphenyl)-1-(pyridin-4-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxylic acid.
What is the SMILES notation for 6-(4-carboxy-3-methoxyphenyl)-1-(pyridin-4-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxylic acid?
The canonical SMILES for 6-(4-carboxy-3-methoxyphenyl)-1-(pyridin-4-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxylic acid is COc1cc(-c2cc(C(=O)O)c3cnn(Cc4ccncc4)c3n2)ccc1C(=O)O.
What is the InChIKey of 6-(4-carboxy-3-methoxyphenyl)-1-(pyridin-4-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxylic acid?
The InChIKey is ZRFWDNFGRKUGTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16N4O5/c1-30-18-8-13(2-3-14(18)20(26)27)17-9-15(21(28)29)16-10-23-25(19(16)24-17)11-12-4-6-22-7-5-12/h2-10H,11H2,1H3,(H,26,27)(H,28,29).
What are the key properties of 6-(4-carboxy-3-methoxyphenyl)-1-(pyridin-4-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxylic acid?
6-(4-carboxy-3-methoxyphenyl)-1-(pyridin-4-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxylic acid has a molecular weight of 404.38 g/mol, XLogP of 2.95, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-carboxy-3-methoxyphenyl)-1-(pyridin-4-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxylic acid is sourced from PubChem (CID 71600402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).