1-[3-[3-amino-4-(trifluoromethyl)-2H-pyrazolo[3,4-b]pyridin-6-yl]piperidin-1-yl]-2-cyclohexylethanone

C20H26F3N5O — CID 110264584

IUPAC1-[3-[3-amino-4-(trifluoromethyl)-2H-pyrazolo[3,4-b]pyridin-6-yl]piperidin-1-yl]-2-cyclohexylethanone
SMILESNc1[nH]nc2nc(C3CCCN(C(=O)CC4CCCCC4)C3)cc(C(F)(F)F)c12
InChIInChI=1S/C20H26F3N5O/c21-20(22,23)14-10-15(25-19-17(14)18(24)26-27-19)13-7-4-8-28(11-13)16(29)9-12-5-2-1-3-6-12/h10,12-13H,1-9,11H2,(H3,24,25,26,27)
InChIKeyRTQQXZDNSKNWLH-UHFFFAOYSA-N
MW409.46 g/mol
LogP4.24
Rot. Bonds3

About 1-[3-[3-amino-4-(trifluoromethyl)-2H-pyrazolo[3,4-b]pyridin-6-yl]piperidin-1-yl]-2-cyclohexylethanone

1-[3-[3-amino-4-(trifluoromethyl)-2H-pyrazolo[3,4-b]pyridin-6-yl]piperidin-1-yl]-2-cyclohexylethanone (PubChem CID 110264584) has the molecular formula C20H26F3N5O and a molecular weight of 409.46 g/mol. Its IUPAC name is 1-[3-[3-amino-4-(trifluoromethyl)-2H-pyrazolo[3,4-b]pyridin-6-yl]piperidin-1-yl]-2-cyclohexylethanone.

Molecular Properties

Compound Name1-[3-[3-amino-4-(trifluoromethyl)-2H-pyrazolo[3,4-b]pyridin-6-yl]piperidin-1-yl]-2-cyclohexylethanone
PubChem CID110264584
Molecular FormulaC20H26F3N5O
Molecular Weight409.46 g/mol
Exact Mass409.21
IUPAC Name1-[3-[3-amino-4-(trifluoromethyl)-2H-pyrazolo[3,4-b]pyridin-6-yl]piperidin-1-yl]-2-cyclohexylethanone
SMILESNc1[nH]nc2nc(C3CCCN(C(=O)CC4CCCCC4)C3)cc(C(F)(F)F)c12
InChIInChI=1S/C20H26F3N5O/c21-20(22,23)14-10-15(25-19-17(14)18(24)26-27-19)13-7-4-8-28(11-13)16(29)9-12-5-2-1-3-6-12/h10,12-13H,1-9,11H2,(H3,24,25,26,27)
InChIKeyRTQQXZDNSKNWLH-UHFFFAOYSA-N
XLogP4.24
TPSA87.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.46
LogP ≤ 54.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[3-[3-amino-4-(trifluoromethyl)-2H-pyrazolo[3,4-b]pyridin-6-yl]piperidin-1-yl]-2-cyclohexylethanone 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-[2-[(3R)-3-[3-amino-4-(trifluoromethyl)-2H-pyrazolo[3,4-b]pyridin-6-yl]piperidin-1-yl]-2-oxoethyl]azepan-2-one
CID 92630601
[(3S)-3-[3-amino-4-(trifluoromethyl)-2H-pyrazolo[3,4-b]pyridin-6-yl]piperidin-1-yl]-(2-methyl-4,5,6,7-tetrahydro-1-benzofuran-3-yl)methanone
CID 92630595
1-[2-[3-amino-4-(trifluoromethyl)-2H-pyrazolo[3,4-b]pyridin-6-yl]piperidin-1-yl]-2-pyrrolidin-1-ylethanone
CID 110264719
2-[(2R)-2-[3-amino-4-(trifluoromethyl)-2H-pyrazolo[3,4-b]pyridin-6-yl]piperidin-1-yl]-1-(4-methylpiperidin-1-yl)ethanone
CID 92631041
1-[4-[3-amino-4-(trifluoromethyl)-2H-pyrazolo[3,4-b]pyridin-6-yl]piperidin-1-yl]-4-(4-fluorophenyl)butan-1-one
CID 92631616
1-[(2R)-2-[3-amino-4-(trifluoromethyl)-2H-pyrazolo[3,4-b]pyridin-6-yl]piperidin-1-yl]-2-(4-fluorophenoxy)ethanone
CID 92618462
1-[(2S)-2-[3-amino-4-(trifluoromethyl)-2H-pyrazolo[3,4-b]pyridin-6-yl]piperidin-1-yl]-2-(4-methoxyphenyl)ethanone
CID 95840082
2-[(2S)-2-[3-amino-4-(trifluoromethyl)-2H-pyrazolo[3,4-b]pyridin-6-yl]pyrrolidin-1-yl]-N-(2-fluorophenyl)acetamide
CID 92630729
2-cyclopentyl-1-[(3S)-3-(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]ethanone
CID 95111158
4-[(3S)-3-(3-amino-2H-pyrazolo[3,4-b]pyridin-6-yl)piperidin-1-yl]-4-oxobutanoic acid
CID 124964006
2-hydroxy-1-[(3R)-3-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-1-yl]ethanone
CID 124950305
2-(2,4-dimethyl-1,3-thiazol-5-yl)-1-[(3R)-3-[3-methyl-4-(trifluoromethyl)-[1,2]oxazolo[5,4-b]pyridin-6-yl]piperidin-1-yl]ethanone
CID 92597815

Frequently Asked Questions

What is the IUPAC name of 1-[3-[3-amino-4-(trifluoromethyl)-2H-pyrazolo[3,4-b]pyridin-6-yl]piperidin-1-yl]-2-cyclohexylethanone?
The IUPAC name of 1-[3-[3-amino-4-(trifluoromethyl)-2H-pyrazolo[3,4-b]pyridin-6-yl]piperidin-1-yl]-2-cyclohexylethanone (CID 110264584) is 1-[3-[3-amino-4-(trifluoromethyl)-2H-pyrazolo[3,4-b]pyridin-6-yl]piperidin-1-yl]-2-cyclohexylethanone.
What is the SMILES notation for 1-[3-[3-amino-4-(trifluoromethyl)-2H-pyrazolo[3,4-b]pyridin-6-yl]piperidin-1-yl]-2-cyclohexylethanone?
The canonical SMILES for 1-[3-[3-amino-4-(trifluoromethyl)-2H-pyrazolo[3,4-b]pyridin-6-yl]piperidin-1-yl]-2-cyclohexylethanone is Nc1[nH]nc2nc(C3CCCN(C(=O)CC4CCCCC4)C3)cc(C(F)(F)F)c12.
What is the InChIKey of 1-[3-[3-amino-4-(trifluoromethyl)-2H-pyrazolo[3,4-b]pyridin-6-yl]piperidin-1-yl]-2-cyclohexylethanone?
The InChIKey is RTQQXZDNSKNWLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26F3N5O/c21-20(22,23)14-10-15(25-19-17(14)18(24)26-27-19)13-7-4-8-28(11-13)16(29)9-12-5-2-1-3-6-12/h10,12-13H,1-9,11H2,(H3,24,25,26,27).
What are the key properties of 1-[3-[3-amino-4-(trifluoromethyl)-2H-pyrazolo[3,4-b]pyridin-6-yl]piperidin-1-yl]-2-cyclohexylethanone?
1-[3-[3-amino-4-(trifluoromethyl)-2H-pyrazolo[3,4-b]pyridin-6-yl]piperidin-1-yl]-2-cyclohexylethanone has a molecular weight of 409.46 g/mol, XLogP of 4.24, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[3-amino-4-(trifluoromethyl)-2H-pyrazolo[3,4-b]pyridin-6-yl]piperidin-1-yl]-2-cyclohexylethanone is sourced from PubChem (CID 110264584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).