N-[5-(2-amino-4-methylpyrido[2,3-d]pyrimidin-6-yl)-1H-pyrazolo[5,4-b]pyridin-3-yl]-2,4-difluorobenzenesulfonamide

C20H14F2N8O2S — CID 118321354

IUPACN-[5-(2-amino-4-methylpyrido[2,3-d]pyrimidin-6-yl)-1H-pyrazolo[5,4-b]pyridin-3-yl]-2,4-difluorobenzenesulfonamide
SMILESCc1nc(N)nc2ncc(-c3cnc4[nH]nc(NS(=O)(=O)c5ccc(F)cc5F)c4c3)cc12
InChIInChI=1S/C20H14F2N8O2S/c1-9-13-4-10(7-24-17(13)27-20(23)26-9)11-5-14-18(25-8-11)28-29-19(14)30-33(31,32)16-3-2-12(21)6-15(16)22/h2-8H,1H3,(H2,23,24,26,27)(H2,25,28,29,30)
InChIKeyGDZUBVFIHRIFMY-UHFFFAOYSA-N
MW468.45 g/mol
LogP2.93
Rot. Bonds4

About N-[5-(2-amino-4-methylpyrido[2,3-d]pyrimidin-6-yl)-1H-pyrazolo[5,4-b]pyridin-3-yl]-2,4-difluorobenzenesulfonamide

N-[5-(2-amino-4-methylpyrido[2,3-d]pyrimidin-6-yl)-1H-pyrazolo[5,4-b]pyridin-3-yl]-2,4-difluorobenzenesulfonamide (PubChem CID 118321354) has the molecular formula C20H14F2N8O2S and a molecular weight of 468.45 g/mol. Its IUPAC name is N-[5-(2-amino-4-methylpyrido[2,3-d]pyrimidin-6-yl)-1H-pyrazolo[5,4-b]pyridin-3-yl]-2,4-difluorobenzenesulfonamide.

Molecular Properties

Compound NameN-[5-(2-amino-4-methylpyrido[2,3-d]pyrimidin-6-yl)-1H-pyrazolo[5,4-b]pyridin-3-yl]-2,4-difluorobenzenesulfonamide
PubChem CID118321354
Molecular FormulaC20H14F2N8O2S
Molecular Weight468.45 g/mol
Exact Mass468.09
IUPAC NameN-[5-(2-amino-4-methylpyrido[2,3-d]pyrimidin-6-yl)-1H-pyrazolo[5,4-b]pyridin-3-yl]-2,4-difluorobenzenesulfonamide
SMILESCc1nc(N)nc2ncc(-c3cnc4[nH]nc(NS(=O)(=O)c5ccc(F)cc5F)c4c3)cc12
InChIInChI=1S/C20H14F2N8O2S/c1-9-13-4-10(7-24-17(13)27-20(23)26-9)11-5-14-18(25-8-11)28-29-19(14)30-33(31,32)16-3-2-12(21)6-15(16)22/h2-8H,1H3,(H2,23,24,26,27)(H2,25,28,29,30)
InChIKeyGDZUBVFIHRIFMY-UHFFFAOYSA-N
XLogP2.93
TPSA152.43 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.45
LogP ≤ 52.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze N-[5-(2-amino-4-methylpyrido[2,3-d]pyrimidin-6-yl)-1H-pyrazolo[5,4-b]pyridin-3-yl]-2,4-difluorobenzenesulfonamide 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 N-[5-(2-amino-4-methylpyrido[2,3-d]pyrimidin-6-yl)-1H-pyrazolo[5,4-b]pyridin-3-yl]-2,4-difluorobenzenesulfonamide?
The IUPAC name of N-[5-(2-amino-4-methylpyrido[2,3-d]pyrimidin-6-yl)-1H-pyrazolo[5,4-b]pyridin-3-yl]-2,4-difluorobenzenesulfonamide (CID 118321354) is N-[5-(2-amino-4-methylpyrido[2,3-d]pyrimidin-6-yl)-1H-pyrazolo[5,4-b]pyridin-3-yl]-2,4-difluorobenzenesulfonamide.
What is the SMILES notation for N-[5-(2-amino-4-methylpyrido[2,3-d]pyrimidin-6-yl)-1H-pyrazolo[5,4-b]pyridin-3-yl]-2,4-difluorobenzenesulfonamide?
The canonical SMILES for N-[5-(2-amino-4-methylpyrido[2,3-d]pyrimidin-6-yl)-1H-pyrazolo[5,4-b]pyridin-3-yl]-2,4-difluorobenzenesulfonamide is Cc1nc(N)nc2ncc(-c3cnc4[nH]nc(NS(=O)(=O)c5ccc(F)cc5F)c4c3)cc12.
What is the InChIKey of N-[5-(2-amino-4-methylpyrido[2,3-d]pyrimidin-6-yl)-1H-pyrazolo[5,4-b]pyridin-3-yl]-2,4-difluorobenzenesulfonamide?
The InChIKey is GDZUBVFIHRIFMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14F2N8O2S/c1-9-13-4-10(7-24-17(13)27-20(23)26-9)11-5-14-18(25-8-11)28-29-19(14)30-33(31,32)16-3-2-12(21)6-15(16)22/h2-8H,1H3,(H2,23,24,26,27)(H2,25,28,29,30).
What are the key properties of N-[5-(2-amino-4-methylpyrido[2,3-d]pyrimidin-6-yl)-1H-pyrazolo[5,4-b]pyridin-3-yl]-2,4-difluorobenzenesulfonamide?
N-[5-(2-amino-4-methylpyrido[2,3-d]pyrimidin-6-yl)-1H-pyrazolo[5,4-b]pyridin-3-yl]-2,4-difluorobenzenesulfonamide has a molecular weight of 468.45 g/mol, XLogP of 2.93, 4 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(2-amino-4-methylpyrido[2,3-d]pyrimidin-6-yl)-1H-pyrazolo[5,4-b]pyridin-3-yl]-2,4-difluorobenzenesulfonamide is sourced from PubChem (CID 118321354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).