N-[3-(5-cyano-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)-2,4-difluorophenyl]cyclopropanesulfonamide

C18H12F2N4O3S — CID 90117085

IUPACN-[3-(5-cyano-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)-2,4-difluorophenyl]cyclopropanesulfonamide
SMILESN#Cc1cnc2[nH]cc(C(=O)c3c(F)ccc(NS(=O)(=O)C4CC4)c3F)c2c1
InChIInChI=1S/C18H12F2N4O3S/c19-13-3-4-14(24-28(26,27)10-1-2-10)16(20)15(13)17(25)12-8-23-18-11(12)5-9(6-21)7-22-18/h3-5,7-8,10,24H,1-2H2,(H,22,23)
InChIKeySUPGQYVZLDSDNV-UHFFFAOYSA-N
MW402.38 g/mol
LogP2.85
Rot. Bonds5

About N-[3-(5-cyano-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)-2,4-difluorophenyl]cyclopropanesulfonamide

N-[3-(5-cyano-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)-2,4-difluorophenyl]cyclopropanesulfonamide (PubChem CID 90117085) has the molecular formula C18H12F2N4O3S and a molecular weight of 402.38 g/mol. Its IUPAC name is N-[3-(5-cyano-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)-2,4-difluorophenyl]cyclopropanesulfonamide.

Molecular Properties

Compound NameN-[3-(5-cyano-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)-2,4-difluorophenyl]cyclopropanesulfonamide
PubChem CID90117085
Molecular FormulaC18H12F2N4O3S
Molecular Weight402.38 g/mol
Exact Mass402.06
IUPAC NameN-[3-(5-cyano-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)-2,4-difluorophenyl]cyclopropanesulfonamide
SMILESN#Cc1cnc2[nH]cc(C(=O)c3c(F)ccc(NS(=O)(=O)C4CC4)c3F)c2c1
InChIInChI=1S/C18H12F2N4O3S/c19-13-3-4-14(24-28(26,27)10-1-2-10)16(20)15(13)17(25)12-8-23-18-11(12)5-9(6-21)7-22-18/h3-5,7-8,10,24H,1-2H2,(H,22,23)
InChIKeySUPGQYVZLDSDNV-UHFFFAOYSA-N
XLogP2.85
TPSA115.71 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.38
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[3-(5-cyano-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)-2,4-difluorophenyl]cyclopropanesulfonamide with MolForge

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Related Compounds

N-[3-(5-cyano-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)-2,4-difluorophenyl]methanesulfonamide
CID 66646690
N-[3-(5-cyano-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)-2,4-difluorophenyl]pyrrolidine-1-sulfonamide
CID 46913145
N-[3-(5-cyano-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)-2-fluorophenyl]cyclohexanesulfonamide
CID 66646625
N-[3-[5-(4-chlorophenyl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]-2,4-difluorophenyl]cyclobutanesulfonamide
CID 135248904
N-[2,4-difluoro-3-(5-isocyano-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)phenyl]cyclohexanesulfonamide
CID 88580347
(3R)-N-[2,4-difluoro-3-[5-(2-methylpyrimidin-5-yl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]phenyl]-3-fluorocyclopentane-1-sulfonamide
CID 167398924
N-[3-(5-cyano-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)-2,4-difluorophenyl]-1-pyridin-2-ylmethanesulfonamide
CID 66647006
N-[2,4-difluoro-3-[5-(2-methoxypyrimidin-5-yl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]phenyl]cyclobutanesulfonamide
CID 66646788
3-(2,6-difluoro-3-pyrrolidin-1-ylbenzoyl)-1H-pyrrolo[2,3-b]pyridine-5-carbonitrile
CID 90116359
N-[2,4-difluoro-3-[5-(6-piperazin-1-yl-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]phenyl]cyclohexanesulfonamide
CID 166900329
3-[2,6-difluoro-3-(nonylamino)benzoyl]-1H-pyrrolo[2,3-b]pyridine-5-carbonitrile;propane-1-sulfonic acid
CID 158997707
(3R)-N-[2,4-difluoro-3-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]phenyl]-3-fluorocyclopentane-1-sulfonamide
CID 153486037

Frequently Asked Questions

What is the IUPAC name of N-[3-(5-cyano-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)-2,4-difluorophenyl]cyclopropanesulfonamide?
The IUPAC name of N-[3-(5-cyano-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)-2,4-difluorophenyl]cyclopropanesulfonamide (CID 90117085) is N-[3-(5-cyano-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)-2,4-difluorophenyl]cyclopropanesulfonamide.
What is the SMILES notation for N-[3-(5-cyano-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)-2,4-difluorophenyl]cyclopropanesulfonamide?
The canonical SMILES for N-[3-(5-cyano-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)-2,4-difluorophenyl]cyclopropanesulfonamide is N#Cc1cnc2[nH]cc(C(=O)c3c(F)ccc(NS(=O)(=O)C4CC4)c3F)c2c1.
What is the InChIKey of N-[3-(5-cyano-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)-2,4-difluorophenyl]cyclopropanesulfonamide?
The InChIKey is SUPGQYVZLDSDNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12F2N4O3S/c19-13-3-4-14(24-28(26,27)10-1-2-10)16(20)15(13)17(25)12-8-23-18-11(12)5-9(6-21)7-22-18/h3-5,7-8,10,24H,1-2H2,(H,22,23).
What are the key properties of N-[3-(5-cyano-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)-2,4-difluorophenyl]cyclopropanesulfonamide?
N-[3-(5-cyano-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)-2,4-difluorophenyl]cyclopropanesulfonamide has a molecular weight of 402.38 g/mol, XLogP of 2.85, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(5-cyano-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)-2,4-difluorophenyl]cyclopropanesulfonamide is sourced from PubChem (CID 90117085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).