2-[4-(3-cyclopropyl-2H-pyrazolo[3,4-b]pyridin-5-yl)-2-fluorophenyl]-N-[6-methoxy-5-(trifluoromethyl)-3-pyridinyl]acetamide

C24H19F4N5O2 — CID 130423518

IUPAC2-[4-(3-cyclopropyl-2H-pyrazolo[3,4-b]pyridin-5-yl)-2-fluorophenyl]-N-[6-methoxy-5-(trifluoromethyl)-3-pyridinyl]acetamide
SMILESCOc1ncc(NC(=O)Cc2ccc(-c3cnc4n[nH]c(C5CC5)c4c3)cc2F)cc1C(F)(F)F
InChIInChI=1S/C24H19F4N5O2/c1-35-23-18(24(26,27)28)9-16(11-30-23)31-20(34)8-14-5-4-13(7-19(14)25)15-6-17-21(12-2-3-12)32-33-22(17)29-10-15/h4-7,9-12H,2-3,8H2,1H3,(H,31,34)(H,29,32,33)
InChIKeyXXXQVKUAYCHTTE-UHFFFAOYSA-N
MW485.44 g/mol
LogP5.24
Rot. Bonds6

About 2-[4-(3-cyclopropyl-2H-pyrazolo[3,4-b]pyridin-5-yl)-2-fluorophenyl]-N-[6-methoxy-5-(trifluoromethyl)-3-pyridinyl]acetamide

2-[4-(3-cyclopropyl-2H-pyrazolo[3,4-b]pyridin-5-yl)-2-fluorophenyl]-N-[6-methoxy-5-(trifluoromethyl)-3-pyridinyl]acetamide (PubChem CID 130423518) has the molecular formula C24H19F4N5O2 and a molecular weight of 485.44 g/mol. Its IUPAC name is 2-[4-(3-cyclopropyl-2H-pyrazolo[3,4-b]pyridin-5-yl)-2-fluorophenyl]-N-[6-methoxy-5-(trifluoromethyl)-3-pyridinyl]acetamide.

Molecular Properties

Compound Name2-[4-(3-cyclopropyl-2H-pyrazolo[3,4-b]pyridin-5-yl)-2-fluorophenyl]-N-[6-methoxy-5-(trifluoromethyl)-3-pyridinyl]acetamide
PubChem CID130423518
Molecular FormulaC24H19F4N5O2
Molecular Weight485.44 g/mol
Exact Mass485.15
IUPAC Name2-[4-(3-cyclopropyl-2H-pyrazolo[3,4-b]pyridin-5-yl)-2-fluorophenyl]-N-[6-methoxy-5-(trifluoromethyl)-3-pyridinyl]acetamide
SMILESCOc1ncc(NC(=O)Cc2ccc(-c3cnc4n[nH]c(C5CC5)c4c3)cc2F)cc1C(F)(F)F
InChIInChI=1S/C24H19F4N5O2/c1-35-23-18(24(26,27)28)9-16(11-30-23)31-20(34)8-14-5-4-13(7-19(14)25)15-6-17-21(12-2-3-12)32-33-22(17)29-10-15/h4-7,9-12H,2-3,8H2,1H3,(H,31,34)(H,29,32,33)
InChIKeyXXXQVKUAYCHTTE-UHFFFAOYSA-N
XLogP5.24
TPSA92.79 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500485.44
LogP ≤ 55.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[4-(3-cyclopropyl-2H-pyrazolo[3,4-b]pyridin-5-yl)-2-fluorophenyl]-N-[6-methoxy-5-(trifluoromethyl)-3-pyridinyl]acetamide 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

2-(2,6-Difluoro-4-Methoxyphenyl)-1-(4-{4-[(3-Methyl-1h-Pyrazol-5-Yl)amino]pyrrolo[2,1-F][1,2,4]triazin-2-Yl}piperazin-1-Yl)ethanone
CID 49859752
N-cyclopropyl-4-[6-[difluoro-(4-methoxyphenyl)methyl]-8-(3,3,3-trifluoropropylamino)imidazo[1,2-b]pyridazin-3-yl]-2-methylbenzamide
CID 71735440
N-Cyclopropyl-4-{6-[1-(3-fluoro-4-methoxyphenyl)ethenyl]-8-[(3, 3,3-trifluoropropyl)amino]imidazo[1, 2-b]pyridazin-3-yl}-2-methylbenzamide
CID 71737355
3-{[3-(2-Cyanopropan-2-Yl)benzoyl]amino}-2,6-Difluoro-N-(3-Methoxy-2h-Pyrazolo[3,4-B]pyridin-5-Yl)benzamide
CID 66563698
5-[[3-(2-cyanopropan-2-yl)benzoyl]amino]-2-fluoro-N-(3-methoxy-1H-pyrazolo[5,4-b]pyridin-5-yl)benzamide
CID 71460335
2-(4-methoxyphenyl)-1-[4-[4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]piperazin-1-yl]ethanone
CID 53320947
2,6-difluoro-N-(3-methoxy-1H-pyrazolo[5,4-b]pyridin-5-yl)-3-(pyrrolidin-1-ylsulfonylamino)benzamide
CID 53484099
3-(dimethylsulfamoylamino)-2,6-difluoro-N-(3-methoxy-1H-pyrazolo[5,4-b]pyridin-5-yl)benzamide
CID 56658296
3-[[ethyl(methyl)sulfamoyl]amino]-2,6-difluoro-N-(3-methoxy-1H-pyrazolo[5,4-b]pyridin-5-yl)benzamide
CID 56658297
3-(cyclopropylmethylsulfonylamino)-2,6-difluoro-N-(3-methoxy-1H-pyrazolo[5,4-b]pyridin-5-yl)benzamide
CID 56661795
3-(ethylsulfamoylamino)-2,6-difluoro-N-(3-methoxy-1H-pyrazolo[5,4-b]pyridin-5-yl)benzamide
CID 56661796
2,6-difluoro-N-(3-methoxy-1H-pyrazolo[5,4-b]pyridin-5-yl)-3-(propan-2-ylsulfamoylamino)benzamide
CID 56678886

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-cyclopropyl-2H-pyrazolo[3,4-b]pyridin-5-yl)-2-fluorophenyl]-N-[6-methoxy-5-(trifluoromethyl)-3-pyridinyl]acetamide?
The IUPAC name of 2-[4-(3-cyclopropyl-2H-pyrazolo[3,4-b]pyridin-5-yl)-2-fluorophenyl]-N-[6-methoxy-5-(trifluoromethyl)-3-pyridinyl]acetamide (CID 130423518) is 2-[4-(3-cyclopropyl-2H-pyrazolo[3,4-b]pyridin-5-yl)-2-fluorophenyl]-N-[6-methoxy-5-(trifluoromethyl)-3-pyridinyl]acetamide.
What is the SMILES notation for 2-[4-(3-cyclopropyl-2H-pyrazolo[3,4-b]pyridin-5-yl)-2-fluorophenyl]-N-[6-methoxy-5-(trifluoromethyl)-3-pyridinyl]acetamide?
The canonical SMILES for 2-[4-(3-cyclopropyl-2H-pyrazolo[3,4-b]pyridin-5-yl)-2-fluorophenyl]-N-[6-methoxy-5-(trifluoromethyl)-3-pyridinyl]acetamide is COc1ncc(NC(=O)Cc2ccc(-c3cnc4n[nH]c(C5CC5)c4c3)cc2F)cc1C(F)(F)F.
What is the InChIKey of 2-[4-(3-cyclopropyl-2H-pyrazolo[3,4-b]pyridin-5-yl)-2-fluorophenyl]-N-[6-methoxy-5-(trifluoromethyl)-3-pyridinyl]acetamide?
The InChIKey is XXXQVKUAYCHTTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19F4N5O2/c1-35-23-18(24(26,27)28)9-16(11-30-23)31-20(34)8-14-5-4-13(7-19(14)25)15-6-17-21(12-2-3-12)32-33-22(17)29-10-15/h4-7,9-12H,2-3,8H2,1H3,(H,31,34)(H,29,32,33).
What are the key properties of 2-[4-(3-cyclopropyl-2H-pyrazolo[3,4-b]pyridin-5-yl)-2-fluorophenyl]-N-[6-methoxy-5-(trifluoromethyl)-3-pyridinyl]acetamide?
2-[4-(3-cyclopropyl-2H-pyrazolo[3,4-b]pyridin-5-yl)-2-fluorophenyl]-N-[6-methoxy-5-(trifluoromethyl)-3-pyridinyl]acetamide has a molecular weight of 485.44 g/mol, XLogP of 5.24, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3-cyclopropyl-2H-pyrazolo[3,4-b]pyridin-5-yl)-2-fluorophenyl]-N-[6-methoxy-5-(trifluoromethyl)-3-pyridinyl]acetamide is sourced from PubChem (CID 130423518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).