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

C21H15F2N7O2S — CID 118321328

IUPACN-[5-(2-amino-4-methylpyrido[2,3-d]pyrimidin-6-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-2,4-difluorobenzenesulfonamide
SMILESCc1nc(N)nc2ncc(-c3cnc4[nH]cc(NS(=O)(=O)c5ccc(F)cc5F)c4c3)cc12
InChIInChI=1S/C21H15F2N7O2S/c1-10-14-4-11(8-26-20(14)29-21(24)28-10)12-5-15-17(9-27-19(15)25-7-12)30-33(31,32)18-3-2-13(22)6-16(18)23/h2-9,30H,1H3,(H,25,27)(H2,24,26,28,29)
InChIKeyGWVCFLYILHNPFO-UHFFFAOYSA-N
MW467.46 g/mol
LogP3.54
Rot. Bonds4

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

N-[5-(2-amino-4-methylpyrido[2,3-d]pyrimidin-6-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-2,4-difluorobenzenesulfonamide (PubChem CID 118321328) has the molecular formula C21H15F2N7O2S and a molecular weight of 467.46 g/mol. Its IUPAC name is N-[5-(2-amino-4-methylpyrido[2,3-d]pyrimidin-6-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-2,4-difluorobenzenesulfonamide.

Molecular Properties

Compound NameN-[5-(2-amino-4-methylpyrido[2,3-d]pyrimidin-6-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-2,4-difluorobenzenesulfonamide
PubChem CID118321328
Molecular FormulaC21H15F2N7O2S
Molecular Weight467.46 g/mol
Exact Mass467.10
IUPAC NameN-[5-(2-amino-4-methylpyrido[2,3-d]pyrimidin-6-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-2,4-difluorobenzenesulfonamide
SMILESCc1nc(N)nc2ncc(-c3cnc4[nH]cc(NS(=O)(=O)c5ccc(F)cc5F)c4c3)cc12
InChIInChI=1S/C21H15F2N7O2S/c1-10-14-4-11(8-26-20(14)29-21(24)28-10)12-5-15-17(9-27-19(15)25-7-12)30-33(31,32)18-3-2-13(22)6-16(18)23/h2-9,30H,1H3,(H,25,27)(H2,24,26,28,29)
InChIKeyGWVCFLYILHNPFO-UHFFFAOYSA-N
XLogP3.54
TPSA139.54 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.46
LogP ≤ 53.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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

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Frequently Asked Questions

What is the IUPAC name of N-[5-(2-amino-4-methylpyrido[2,3-d]pyrimidin-6-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-2,4-difluorobenzenesulfonamide?
The IUPAC name of N-[5-(2-amino-4-methylpyrido[2,3-d]pyrimidin-6-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-2,4-difluorobenzenesulfonamide (CID 118321328) is N-[5-(2-amino-4-methylpyrido[2,3-d]pyrimidin-6-yl)-1H-pyrrolo[2,3-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-pyrrolo[2,3-b]pyridin-3-yl]-2,4-difluorobenzenesulfonamide?
The canonical SMILES for N-[5-(2-amino-4-methylpyrido[2,3-d]pyrimidin-6-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-2,4-difluorobenzenesulfonamide is Cc1nc(N)nc2ncc(-c3cnc4[nH]cc(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-pyrrolo[2,3-b]pyridin-3-yl]-2,4-difluorobenzenesulfonamide?
The InChIKey is GWVCFLYILHNPFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15F2N7O2S/c1-10-14-4-11(8-26-20(14)29-21(24)28-10)12-5-15-17(9-27-19(15)25-7-12)30-33(31,32)18-3-2-13(22)6-16(18)23/h2-9,30H,1H3,(H,25,27)(H2,24,26,28,29).
What are the key properties of N-[5-(2-amino-4-methylpyrido[2,3-d]pyrimidin-6-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-2,4-difluorobenzenesulfonamide?
N-[5-(2-amino-4-methylpyrido[2,3-d]pyrimidin-6-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-2,4-difluorobenzenesulfonamide has a molecular weight of 467.46 g/mol, XLogP of 3.54, 4 rotatable bonds, 3 hydrogen bond donors, and 7 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-pyrrolo[2,3-b]pyridin-3-yl]-2,4-difluorobenzenesulfonamide is sourced from PubChem (CID 118321328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).