[3-amino-6-(difluoromethylsulfonyl)-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-2-yl]-(6-fluoro-1,2,3,4-tetrahydroquinolin-4-yl)methanone

C17H18F3N5O3S — CID 148664142

IUPAC[3-amino-6-(difluoromethylsulfonyl)-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-2-yl]-(6-fluoro-1,2,3,4-tetrahydroquinolin-4-yl)methanone
SMILESNc1c2c(nn1C(=O)C1CCNc3ccc(F)cc31)CN(S(=O)(=O)C(F)F)CC2
InChIInChI=1S/C17H18F3N5O3S/c18-9-1-2-13-12(7-9)10(3-5-22-13)16(26)25-15(21)11-4-6-24(8-14(11)23-25)29(27,28)17(19)20/h1-2,7,10,17,22H,3-6,8,21H2
InChIKeyNOJVEGJKRNVDSB-UHFFFAOYSA-N
MW429.42 g/mol
LogP1.75
Rot. Bonds3

About [3-amino-6-(difluoromethylsulfonyl)-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-2-yl]-(6-fluoro-1,2,3,4-tetrahydroquinolin-4-yl)methanone

[3-amino-6-(difluoromethylsulfonyl)-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-2-yl]-(6-fluoro-1,2,3,4-tetrahydroquinolin-4-yl)methanone (PubChem CID 148664142) has the molecular formula C17H18F3N5O3S and a molecular weight of 429.42 g/mol. Its IUPAC name is [3-amino-6-(difluoromethylsulfonyl)-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-2-yl]-(6-fluoro-1,2,3,4-tetrahydroquinolin-4-yl)methanone.

Molecular Properties

Compound Name[3-amino-6-(difluoromethylsulfonyl)-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-2-yl]-(6-fluoro-1,2,3,4-tetrahydroquinolin-4-yl)methanone
PubChem CID148664142
Molecular FormulaC17H18F3N5O3S
Molecular Weight429.42 g/mol
Exact Mass429.11
IUPAC Name[3-amino-6-(difluoromethylsulfonyl)-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-2-yl]-(6-fluoro-1,2,3,4-tetrahydroquinolin-4-yl)methanone
SMILESNc1c2c(nn1C(=O)C1CCNc3ccc(F)cc31)CN(S(=O)(=O)C(F)F)CC2
InChIInChI=1S/C17H18F3N5O3S/c18-9-1-2-13-12(7-9)10(3-5-22-13)16(26)25-15(21)11-4-6-24(8-14(11)23-25)29(27,28)17(19)20/h1-2,7,10,17,22H,3-6,8,21H2
InChIKeyNOJVEGJKRNVDSB-UHFFFAOYSA-N
XLogP1.75
TPSA110.32 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.42
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze [3-amino-6-(difluoromethylsulfonyl)-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-2-yl]-(6-fluoro-1,2,3,4-tetrahydroquinolin-4-yl)methanone with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [3-amino-6-(difluoromethylsulfonyl)-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-2-yl]-(6-fluoro-1,2,3,4-tetrahydroquinolin-4-yl)methanone?
The IUPAC name of [3-amino-6-(difluoromethylsulfonyl)-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-2-yl]-(6-fluoro-1,2,3,4-tetrahydroquinolin-4-yl)methanone (CID 148664142) is [3-amino-6-(difluoromethylsulfonyl)-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-2-yl]-(6-fluoro-1,2,3,4-tetrahydroquinolin-4-yl)methanone.
What is the SMILES notation for [3-amino-6-(difluoromethylsulfonyl)-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-2-yl]-(6-fluoro-1,2,3,4-tetrahydroquinolin-4-yl)methanone?
The canonical SMILES for [3-amino-6-(difluoromethylsulfonyl)-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-2-yl]-(6-fluoro-1,2,3,4-tetrahydroquinolin-4-yl)methanone is Nc1c2c(nn1C(=O)C1CCNc3ccc(F)cc31)CN(S(=O)(=O)C(F)F)CC2.
What is the InChIKey of [3-amino-6-(difluoromethylsulfonyl)-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-2-yl]-(6-fluoro-1,2,3,4-tetrahydroquinolin-4-yl)methanone?
The InChIKey is NOJVEGJKRNVDSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F3N5O3S/c18-9-1-2-13-12(7-9)10(3-5-22-13)16(26)25-15(21)11-4-6-24(8-14(11)23-25)29(27,28)17(19)20/h1-2,7,10,17,22H,3-6,8,21H2.
What are the key properties of [3-amino-6-(difluoromethylsulfonyl)-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-2-yl]-(6-fluoro-1,2,3,4-tetrahydroquinolin-4-yl)methanone?
[3-amino-6-(difluoromethylsulfonyl)-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-2-yl]-(6-fluoro-1,2,3,4-tetrahydroquinolin-4-yl)methanone has a molecular weight of 429.42 g/mol, XLogP of 1.75, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [3-amino-6-(difluoromethylsulfonyl)-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-2-yl]-(6-fluoro-1,2,3,4-tetrahydroquinolin-4-yl)methanone is sourced from PubChem (CID 148664142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).