6-[3-[2-oxo-2-(2-phenyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl)ethyl]-3,8-diazabicyclo[3.2.1]octan-8-yl]pyridine-3-carboxylic acid

C26H28N6O3 — CID 53246584

IUPAC6-[3-[2-oxo-2-(2-phenyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl)ethyl]-3,8-diazabicyclo[3.2.1]octan-8-yl]pyridine-3-carboxylic acid
SMILESO=C(O)c1ccc(N2C3CCC2CN(CC(=O)N2CCc4nn(-c5ccccc5)cc4C2)C3)nc1
InChIInChI=1S/C26H28N6O3/c33-25(30-11-10-23-19(13-30)14-31(28-23)20-4-2-1-3-5-20)17-29-15-21-7-8-22(16-29)32(21)24-9-6-18(12-27-24)26(34)35/h1-6,9,12,14,21-22H,7-8,10-11,13,15-17H2,(H,34,35)
InChIKeyFILLBGGBBJGXBL-UHFFFAOYSA-N
MW472.55 g/mol
LogP2.20
Rot. Bonds5

About 6-[3-[2-oxo-2-(2-phenyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl)ethyl]-3,8-diazabicyclo[3.2.1]octan-8-yl]pyridine-3-carboxylic acid

6-[3-[2-oxo-2-(2-phenyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl)ethyl]-3,8-diazabicyclo[3.2.1]octan-8-yl]pyridine-3-carboxylic acid (PubChem CID 53246584) has the molecular formula C26H28N6O3 and a molecular weight of 472.55 g/mol. Its IUPAC name is 6-[3-[2-oxo-2-(2-phenyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl)ethyl]-3,8-diazabicyclo[3.2.1]octan-8-yl]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-[3-[2-oxo-2-(2-phenyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl)ethyl]-3,8-diazabicyclo[3.2.1]octan-8-yl]pyridine-3-carboxylic acid
PubChem CID53246584
Molecular FormulaC26H28N6O3
Molecular Weight472.55 g/mol
Exact Mass472.22
IUPAC Name6-[3-[2-oxo-2-(2-phenyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl)ethyl]-3,8-diazabicyclo[3.2.1]octan-8-yl]pyridine-3-carboxylic acid
SMILESO=C(O)c1ccc(N2C3CCC2CN(CC(=O)N2CCc4nn(-c5ccccc5)cc4C2)C3)nc1
InChIInChI=1S/C26H28N6O3/c33-25(30-11-10-23-19(13-30)14-31(28-23)20-4-2-1-3-5-20)17-29-15-21-7-8-22(16-29)32(21)24-9-6-18(12-27-24)26(34)35/h1-6,9,12,14,21-22H,7-8,10-11,13,15-17H2,(H,34,35)
InChIKeyFILLBGGBBJGXBL-UHFFFAOYSA-N
XLogP2.20
TPSA94.80 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.55
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 6-[3-[2-oxo-2-(2-phenyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl)ethyl]-3,8-diazabicyclo[3.2.1]octan-8-yl]pyridine-3-carboxylic acid with MolForge

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Related Compounds

2-(6-pyridin-2-yl-3,6-diazabicyclo[3.1.1]heptan-3-yl)-1-[2-[5-(trifluoromethyl)-2-pyridinyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone
CID 126641759
2-[2,6-dimethyl-4-[5-(5-methyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]piperazin-1-yl]-1-(2-phenyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl)ethanone
CID 77263735
2-[2,6-dimethyl-4-[5-(1-methyltetrazol-5-yl)-2-pyridinyl]piperazin-1-yl]-1-(2-phenyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl)ethanone
CID 77476137
6-[3-[2-[4-[4-chloro-3-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]-3,8-diazabicyclo[3.2.1]octan-8-yl]pyridine-3-carboxylic acid
CID 66647609
1-(4-cyclobutylpiperazin-1-yl)-2-[2-(5-methyl-2-pyridinyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone
CID 59463557
2-[8-(5-fluoropyrimidin-2-yl)-3,8-diazabicyclo[3.2.1]octan-3-yl]-1-(2-phenyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)ethanone
CID 53246111
2-[2-(6-chloropyridazin-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-1-(4-cyclobutylpiperazin-1-yl)ethanone
CID 57420701
1-(4-cyclobutylpiperazin-1-yl)-2-[2-(6-methylpyridazin-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone
CID 57420700
6-[5-[2-(4-cyclobutylpiperazin-1-yl)-2-oxoethyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-2-yl]pyridazine-3-carbonitrile
CID 59463666
2-[2-(6-chloropyrazin-2-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-1-(4-cyclobutylpiperazin-1-yl)ethanone
CID 57420752
6-(4-phenylpiperazin-1-yl)pyridine-3-carboxylic acid
CID 23432931
2-[3-(4-methylpyrazol-1-yl)azetidin-1-yl]-1-(4-phenylpiperazin-1-yl)ethanone
CID 56780744

Frequently Asked Questions

What is the IUPAC name of 6-[3-[2-oxo-2-(2-phenyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl)ethyl]-3,8-diazabicyclo[3.2.1]octan-8-yl]pyridine-3-carboxylic acid?
The IUPAC name of 6-[3-[2-oxo-2-(2-phenyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl)ethyl]-3,8-diazabicyclo[3.2.1]octan-8-yl]pyridine-3-carboxylic acid (CID 53246584) is 6-[3-[2-oxo-2-(2-phenyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl)ethyl]-3,8-diazabicyclo[3.2.1]octan-8-yl]pyridine-3-carboxylic acid.
What is the SMILES notation for 6-[3-[2-oxo-2-(2-phenyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl)ethyl]-3,8-diazabicyclo[3.2.1]octan-8-yl]pyridine-3-carboxylic acid?
The canonical SMILES for 6-[3-[2-oxo-2-(2-phenyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl)ethyl]-3,8-diazabicyclo[3.2.1]octan-8-yl]pyridine-3-carboxylic acid is O=C(O)c1ccc(N2C3CCC2CN(CC(=O)N2CCc4nn(-c5ccccc5)cc4C2)C3)nc1.
What is the InChIKey of 6-[3-[2-oxo-2-(2-phenyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl)ethyl]-3,8-diazabicyclo[3.2.1]octan-8-yl]pyridine-3-carboxylic acid?
The InChIKey is FILLBGGBBJGXBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N6O3/c33-25(30-11-10-23-19(13-30)14-31(28-23)20-4-2-1-3-5-20)17-29-15-21-7-8-22(16-29)32(21)24-9-6-18(12-27-24)26(34)35/h1-6,9,12,14,21-22H,7-8,10-11,13,15-17H2,(H,34,35).
What are the key properties of 6-[3-[2-oxo-2-(2-phenyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl)ethyl]-3,8-diazabicyclo[3.2.1]octan-8-yl]pyridine-3-carboxylic acid?
6-[3-[2-oxo-2-(2-phenyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl)ethyl]-3,8-diazabicyclo[3.2.1]octan-8-yl]pyridine-3-carboxylic acid has a molecular weight of 472.55 g/mol, XLogP of 2.20, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-[2-oxo-2-(2-phenyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl)ethyl]-3,8-diazabicyclo[3.2.1]octan-8-yl]pyridine-3-carboxylic acid is sourced from PubChem (CID 53246584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).