3-methyl-4-(4-morpholin-4-ylphenyl)-1-phenylpyrazolo[5,4-b]pyridine-6-carboxylic acid;1-[3-methyl-4-(4-morpholin-4-ylphenyl)-1-phenylpyrazolo[5,4-b]pyridin-6-yl]-2-(trifluoromethylsulfonyl)ethanone

C50H45F3N8O7S — CID 158491951

IUPAC3-methyl-4-(4-morpholin-4-ylphenyl)-1-phenylpyrazolo[5,4-b]pyridine-6-carboxylic acid;1-[3-methyl-4-(4-morpholin-4-ylphenyl)-1-phenylpyrazolo[5,4-b]pyridin-6-yl]-2-(trifluoromethylsulfonyl)ethanone
SMILESCc1nn(-c2ccccc2)c2nc(C(=O)CS(=O)(=O)C(F)(F)F)cc(-c3ccc(N4CCOCC4)cc3)c12.Cc1nn(-c2ccccc2)c2nc(C(=O)O)cc(-c3ccc(N4CCOCC4)cc3)c12
InChIInChI=1S/C26H23F3N4O4S.C24H22N4O3/c1-17-24-21(18-7-9-19(10-8-18)32-11-13-37-14-12-32)15-22(23(34)16-38(35,36)26(27,28)29)30-25(24)33(31-17)20-5-3-2-4-6-20;1-16-22-20(17-7-9-18(10-8-17)27-11-13-31-14-12-27)15-21(24(29)30)25-23(22)28(26-16)19-5-3-2-4-6-19/h2-10,15H,11-14,16H2,1H3;2-10,15H,11-14H2,1H3,(H,29,30)
InChIKeyHIUOQEHAGSFKGR-UHFFFAOYSA-N
MW959.02 g/mol
LogP8.28
Rot. Bonds10

About 3-methyl-4-(4-morpholin-4-ylphenyl)-1-phenylpyrazolo[5,4-b]pyridine-6-carboxylic acid;1-[3-methyl-4-(4-morpholin-4-ylphenyl)-1-phenylpyrazolo[5,4-b]pyridin-6-yl]-2-(trifluoromethylsulfonyl)ethanone

3-methyl-4-(4-morpholin-4-ylphenyl)-1-phenylpyrazolo[5,4-b]pyridine-6-carboxylic acid;1-[3-methyl-4-(4-morpholin-4-ylphenyl)-1-phenylpyrazolo[5,4-b]pyridin-6-yl]-2-(trifluoromethylsulfonyl)ethanone (PubChem CID 158491951) has the molecular formula C50H45F3N8O7S and a molecular weight of 959.02 g/mol. Its IUPAC name is 3-methyl-4-(4-morpholin-4-ylphenyl)-1-phenylpyrazolo[5,4-b]pyridine-6-carboxylic acid;1-[3-methyl-4-(4-morpholin-4-ylphenyl)-1-phenylpyrazolo[5,4-b]pyridin-6-yl]-2-(trifluoromethylsulfonyl)ethanone.

Molecular Properties

Compound Name3-methyl-4-(4-morpholin-4-ylphenyl)-1-phenylpyrazolo[5,4-b]pyridine-6-carboxylic acid;1-[3-methyl-4-(4-morpholin-4-ylphenyl)-1-phenylpyrazolo[5,4-b]pyridin-6-yl]-2-(trifluoromethylsulfonyl)ethanone
PubChem CID158491951
Molecular FormulaC50H45F3N8O7S
Molecular Weight959.02 g/mol
Exact Mass958.31
IUPAC Name3-methyl-4-(4-morpholin-4-ylphenyl)-1-phenylpyrazolo[5,4-b]pyridine-6-carboxylic acid;1-[3-methyl-4-(4-morpholin-4-ylphenyl)-1-phenylpyrazolo[5,4-b]pyridin-6-yl]-2-(trifluoromethylsulfonyl)ethanone
SMILESCc1nn(-c2ccccc2)c2nc(C(=O)CS(=O)(=O)C(F)(F)F)cc(-c3ccc(N4CCOCC4)cc3)c12.Cc1nn(-c2ccccc2)c2nc(C(=O)O)cc(-c3ccc(N4CCOCC4)cc3)c12
InChIInChI=1S/C26H23F3N4O4S.C24H22N4O3/c1-17-24-21(18-7-9-19(10-8-18)32-11-13-37-14-12-32)15-22(23(34)16-38(35,36)26(27,28)29)30-25(24)33(31-17)20-5-3-2-4-6-20;1-16-22-20(17-7-9-18(10-8-17)27-11-13-31-14-12-27)15-21(24(29)30)25-23(22)28(26-16)19-5-3-2-4-6-19/h2-10,15H,11-14,16H2,1H3;2-10,15H,11-14H2,1H3,(H,29,30)
InChIKeyHIUOQEHAGSFKGR-UHFFFAOYSA-N
XLogP8.28
TPSA174.87 Ų
H-Bond Donors1
H-Bond Acceptors14
Rotatable Bonds10
Heavy Atoms69
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500959.02
LogP ≤ 58.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1014

Analyze 3-methyl-4-(4-morpholin-4-ylphenyl)-1-phenylpyrazolo[5,4-b]pyridine-6-carboxylic acid;1-[3-methyl-4-(4-morpholin-4-ylphenyl)-1-phenylpyrazolo[5,4-b]pyridin-6-yl]-2-(trifluoromethylsulfonyl)ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(3-Fluorophenyl)-3-methyl-4-(4-morpholin-4-ylphenyl)pyrazolo[5,4-b]pyridine-6-carboxylic acid
CID 126742312
3-Methyl-4-(4-morpholinophenyl)-1-phenyl-1H-pyrazolo[3,4-b]pyridine-6-carboxylic acid
CID 126742476
3-(Hydroxymethyl)-4-(4-morpholin-4-ylphenyl)-1-phenylpyrazolo[5,4-b]pyridine-6-carboxylic acid
CID 126743063
4-(4-Morpholin-4-ylphenyl)-1-phenyl-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylic acid
CID 126743680
1-(4-Fluorophenyl)-3-methyl-4-(4-morpholin-4-ylphenyl)pyrazolo[5,4-b]pyridine-6-carboxylic acid
CID 126743708
3-Methyl-1-(1-methylpiperidin-4-yl)-4-(4-morpholin-4-ylphenyl)pyrazolo[5,4-b]pyridine-6-carboxylic acid
CID 126743839
3-Tert-butyl-4-(4-morpholin-4-ylphenyl)-1-phenylpyrazolo[5,4-b]pyridine-6-carboxylic acid
CID 126743926
1-(2,4-Difluorophenyl)-3-methyl-4-(4-morpholin-4-ylphenyl)pyrazolo[5,4-b]pyridine-6-carboxylic acid
CID 126741467
1-(4,4-Difluorocyclohexyl)-4-(4-morpholin-4-ylphenyl)-3-propan-2-ylpyrazolo[3,4-b]pyridine-6-carboxylic acid
CID 126741964
1-(3,4-Difluorophenyl)-4-(4-morpholin-4-ylphenyl)-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylic acid
CID 126741996
1-[3-(3-Fluoropyrrolidin-1-yl)phenyl]-4-(4-morpholin-4-ylphenyl)-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylic acid
CID 126742152
1-(3,4-Difluorophenyl)-3-methyl-4-(4-morpholin-4-ylphenyl)pyrazolo[5,4-b]pyridine-6-carboxylic acid
CID 126742490

Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-(4-morpholin-4-ylphenyl)-1-phenylpyrazolo[5,4-b]pyridine-6-carboxylic acid;1-[3-methyl-4-(4-morpholin-4-ylphenyl)-1-phenylpyrazolo[5,4-b]pyridin-6-yl]-2-(trifluoromethylsulfonyl)ethanone?
The IUPAC name of 3-methyl-4-(4-morpholin-4-ylphenyl)-1-phenylpyrazolo[5,4-b]pyridine-6-carboxylic acid;1-[3-methyl-4-(4-morpholin-4-ylphenyl)-1-phenylpyrazolo[5,4-b]pyridin-6-yl]-2-(trifluoromethylsulfonyl)ethanone (CID 158491951) is 3-methyl-4-(4-morpholin-4-ylphenyl)-1-phenylpyrazolo[5,4-b]pyridine-6-carboxylic acid;1-[3-methyl-4-(4-morpholin-4-ylphenyl)-1-phenylpyrazolo[5,4-b]pyridin-6-yl]-2-(trifluoromethylsulfonyl)ethanone.
What is the SMILES notation for 3-methyl-4-(4-morpholin-4-ylphenyl)-1-phenylpyrazolo[5,4-b]pyridine-6-carboxylic acid;1-[3-methyl-4-(4-morpholin-4-ylphenyl)-1-phenylpyrazolo[5,4-b]pyridin-6-yl]-2-(trifluoromethylsulfonyl)ethanone?
The canonical SMILES for 3-methyl-4-(4-morpholin-4-ylphenyl)-1-phenylpyrazolo[5,4-b]pyridine-6-carboxylic acid;1-[3-methyl-4-(4-morpholin-4-ylphenyl)-1-phenylpyrazolo[5,4-b]pyridin-6-yl]-2-(trifluoromethylsulfonyl)ethanone is Cc1nn(-c2ccccc2)c2nc(C(=O)CS(=O)(=O)C(F)(F)F)cc(-c3ccc(N4CCOCC4)cc3)c12.Cc1nn(-c2ccccc2)c2nc(C(=O)O)cc(-c3ccc(N4CCOCC4)cc3)c12.
What is the InChIKey of 3-methyl-4-(4-morpholin-4-ylphenyl)-1-phenylpyrazolo[5,4-b]pyridine-6-carboxylic acid;1-[3-methyl-4-(4-morpholin-4-ylphenyl)-1-phenylpyrazolo[5,4-b]pyridin-6-yl]-2-(trifluoromethylsulfonyl)ethanone?
The InChIKey is HIUOQEHAGSFKGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23F3N4O4S.C24H22N4O3/c1-17-24-21(18-7-9-19(10-8-18)32-11-13-37-14-12-32)15-22(23(34)16-38(35,36)26(27,28)29)30-25(24)33(31-17)20-5-3-2-4-6-20;1-16-22-20(17-7-9-18(10-8-17)27-11-13-31-14-12-27)15-21(24(29)30)25-23(22)28(26-16)19-5-3-2-4-6-19/h2-10,15H,11-14,16H2,1H3;2-10,15H,11-14H2,1H3,(H,29,30).
What are the key properties of 3-methyl-4-(4-morpholin-4-ylphenyl)-1-phenylpyrazolo[5,4-b]pyridine-6-carboxylic acid;1-[3-methyl-4-(4-morpholin-4-ylphenyl)-1-phenylpyrazolo[5,4-b]pyridin-6-yl]-2-(trifluoromethylsulfonyl)ethanone?
3-methyl-4-(4-morpholin-4-ylphenyl)-1-phenylpyrazolo[5,4-b]pyridine-6-carboxylic acid;1-[3-methyl-4-(4-morpholin-4-ylphenyl)-1-phenylpyrazolo[5,4-b]pyridin-6-yl]-2-(trifluoromethylsulfonyl)ethanone has a molecular weight of 959.02 g/mol, XLogP of 8.28, 10 rotatable bonds, 1 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-(4-morpholin-4-ylphenyl)-1-phenylpyrazolo[5,4-b]pyridine-6-carboxylic acid;1-[3-methyl-4-(4-morpholin-4-ylphenyl)-1-phenylpyrazolo[5,4-b]pyridin-6-yl]-2-(trifluoromethylsulfonyl)ethanone is sourced from PubChem (CID 158491951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).