5-(1-benzylpyrazolo[5,4-b]pyridine-3-carbonyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxylic acid

C21H18N6O3 — CID 146041099

IUPAC5-(1-benzylpyrazolo[5,4-b]pyridine-3-carbonyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxylic acid
SMILESO=C(O)c1n[nH]c2c1CN(C(=O)c1nn(Cc3ccccc3)c3ncccc13)CC2
InChIInChI=1S/C21H18N6O3/c28-20(26-10-8-16-15(12-26)18(21(29)30)24-23-16)17-14-7-4-9-22-19(14)27(25-17)11-13-5-2-1-3-6-13/h1-7,9H,8,10-12H2,(H,23,24)(H,29,30)
InChIKeyPKGIOEUUBXGVEI-UHFFFAOYSA-N
MW402.41 g/mol
LogP2.10
Rot. Bonds4

About 5-(1-benzylpyrazolo[5,4-b]pyridine-3-carbonyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxylic acid

5-(1-benzylpyrazolo[5,4-b]pyridine-3-carbonyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxylic acid (PubChem CID 146041099) has the molecular formula C21H18N6O3 and a molecular weight of 402.41 g/mol. Its IUPAC name is 5-(1-benzylpyrazolo[5,4-b]pyridine-3-carbonyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-(1-benzylpyrazolo[5,4-b]pyridine-3-carbonyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxylic acid
PubChem CID146041099
Molecular FormulaC21H18N6O3
Molecular Weight402.41 g/mol
Exact Mass402.14
IUPAC Name5-(1-benzylpyrazolo[5,4-b]pyridine-3-carbonyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxylic acid
SMILESO=C(O)c1n[nH]c2c1CN(C(=O)c1nn(Cc3ccccc3)c3ncccc13)CC2
InChIInChI=1S/C21H18N6O3/c28-20(26-10-8-16-15(12-26)18(21(29)30)24-23-16)17-14-7-4-9-22-19(14)27(25-17)11-13-5-2-1-3-6-13/h1-7,9H,8,10-12H2,(H,23,24)(H,29,30)
InChIKeyPKGIOEUUBXGVEI-UHFFFAOYSA-N
XLogP2.10
TPSA117.00 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.41
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

[1-(2-phenylethyl)pyrazolo[5,4-b]pyridin-3-yl]-pyrrolidin-1-ylmethanone
CID 141164806
5-[3-[(3,5-dimethylpyrazol-1-yl)methyl]benzoyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxylic acid
CID 146038986
(1-benzylpyrazolo[5,4-b]pyridin-3-yl)-[3-(pyridin-2-ylmethyl)pyrrolidin-1-yl]methanone
CID 166624112
7-(1-benzylpyrazolo[5,4-b]pyridine-3-carbonyl)-2-propyl-2,7-diazaspiro[4.4]nonan-1-one
CID 175643268
(3-benzyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-(4,5,6,7-tetrahydro-1H-indazol-3-yl)methanone
CID 46994041
5-(5-methyl-1-pyridin-2-ylpyrazole-4-carbonyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxylic acid
CID 146038102
1-[(4-cyanophenyl)methyl]pyrazolo[5,4-b]pyridine-3-carboxylic acid
CID 82589444
(3-hydroxy-2-pyridinyl)-[3-(4-phenylphenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]methanone
CID 56870256
(1-benzylpyrazolo[5,4-b]pyridin-3-yl)-[4-(5-fluoro-2-pyridinyl)-3-methylpiperazin-1-yl]methanone
CID 146038836
7-(1-benzylpyrazolo[5,4-b]pyridine-3-carbonyl)-8a-ethyl-1,5,6,8-tetrahydro-[1,3]oxazolo[3,4-a]pyrazin-3-one
CID 146040386
1-[3-(4-benzylpiperazine-1-carbonyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-2-(2-nitrophenyl)ethanone
CID 46075998
1-[3-(4-benzylpiperazine-1-carbonyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-2-(3-chlorophenyl)ethanone
CID 46075999

Frequently Asked Questions

What is the IUPAC name of 5-(1-benzylpyrazolo[5,4-b]pyridine-3-carbonyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxylic acid?
The IUPAC name of 5-(1-benzylpyrazolo[5,4-b]pyridine-3-carbonyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxylic acid (CID 146041099) is 5-(1-benzylpyrazolo[5,4-b]pyridine-3-carbonyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxylic acid.
What is the SMILES notation for 5-(1-benzylpyrazolo[5,4-b]pyridine-3-carbonyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxylic acid?
The canonical SMILES for 5-(1-benzylpyrazolo[5,4-b]pyridine-3-carbonyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxylic acid is O=C(O)c1n[nH]c2c1CN(C(=O)c1nn(Cc3ccccc3)c3ncccc13)CC2.
What is the InChIKey of 5-(1-benzylpyrazolo[5,4-b]pyridine-3-carbonyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxylic acid?
The InChIKey is PKGIOEUUBXGVEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N6O3/c28-20(26-10-8-16-15(12-26)18(21(29)30)24-23-16)17-14-7-4-9-22-19(14)27(25-17)11-13-5-2-1-3-6-13/h1-7,9H,8,10-12H2,(H,23,24)(H,29,30).
What are the key properties of 5-(1-benzylpyrazolo[5,4-b]pyridine-3-carbonyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxylic acid?
5-(1-benzylpyrazolo[5,4-b]pyridine-3-carbonyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxylic acid has a molecular weight of 402.41 g/mol, XLogP of 2.10, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-benzylpyrazolo[5,4-b]pyridine-3-carbonyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxylic acid is sourced from PubChem (CID 146041099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).