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

C19H15F2N5O3S — CID 46913145

IUPACN-[3-(5-cyano-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)-2,4-difluorophenyl]pyrrolidine-1-sulfonamide
SMILESN#Cc1cnc2[nH]cc(C(=O)c3c(F)ccc(NS(=O)(=O)N4CCCC4)c3F)c2c1
InChIInChI=1S/C19H15F2N5O3S/c20-14-3-4-15(25-30(28,29)26-5-1-2-6-26)17(21)16(14)18(27)13-10-24-19-12(13)7-11(8-22)9-23-19/h3-4,7,9-10,25H,1-2,5-6H2,(H,23,24)
InChIKeyIBGAPONMISVNOR-UHFFFAOYSA-N
MW431.42 g/mol
LogP2.70
Rot. Bonds5

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

N-[3-(5-cyano-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)-2,4-difluorophenyl]pyrrolidine-1-sulfonamide (PubChem CID 46913145) has the molecular formula C19H15F2N5O3S and a molecular weight of 431.42 g/mol. Its IUPAC name is N-[3-(5-cyano-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)-2,4-difluorophenyl]pyrrolidine-1-sulfonamide.

Molecular Properties

Compound NameN-[3-(5-cyano-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)-2,4-difluorophenyl]pyrrolidine-1-sulfonamide
PubChem CID46913145
Molecular FormulaC19H15F2N5O3S
Molecular Weight431.42 g/mol
Exact Mass431.09
IUPAC NameN-[3-(5-cyano-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)-2,4-difluorophenyl]pyrrolidine-1-sulfonamide
SMILESN#Cc1cnc2[nH]cc(C(=O)c3c(F)ccc(NS(=O)(=O)N4CCCC4)c3F)c2c1
InChIInChI=1S/C19H15F2N5O3S/c20-14-3-4-15(25-30(28,29)26-5-1-2-6-26)17(21)16(14)18(27)13-10-24-19-12(13)7-11(8-22)9-23-19/h3-4,7,9-10,25H,1-2,5-6H2,(H,23,24)
InChIKeyIBGAPONMISVNOR-UHFFFAOYSA-N
XLogP2.70
TPSA118.95 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.42
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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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]cyclopropanesulfonamide
CID 90117085
3-(2,6-difluoro-3-pyrrolidin-1-ylbenzoyl)-1H-pyrrolo[2,3-b]pyridine-5-carbonitrile
CID 90116359
N-[3-(5-cyano-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)-2,4-difluorophenyl]-1-pyridin-2-ylmethanesulfonamide
CID 66647006
(3R)-N-[2,4-difluoro-3-[5-(4-fluoro-2-methylpyrimidin-5-yl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]phenyl]-3-fluoropyrrolidine-1-sulfonamide
CID 162742127
3-[2,6-difluoro-3-(nonylamino)benzoyl]-1H-pyrrolo[2,3-b]pyridine-5-carbonitrile;propane-1-sulfonic acid
CID 158997707
N-[3-[cyclobutylidene-[5-(2-cyclopropylpyrimidin-5-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]methyl]-2,4-difluorophenyl]pyrrolidine-1-sulfonamide
CID 155085444
(3R)-N-[2,4-difluoro-3-[5-[4-(4-oxopiperidin-1-yl)phenyl]-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]phenyl]-3-fluoropyrrolidine-1-sulfonamide
CID 146502209
N-[3-(5-cyano-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)-2-fluorophenyl]-4-fluorobenzenesulfonamide
CID 66647187
N-[3-(5-cyano-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)-2-fluorophenyl]cyclohexanesulfonamide
CID 66646625
N-[3-(5-chloro-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)-2,4-difluorophenyl]propane-2-sulfonamide
CID 66646842
N-[3-(5-chloro-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)-2,4-difluorophenyl]-1H-1,2,4-triazole-5-sulfonamide
CID 66646515

Frequently Asked Questions

What is the IUPAC name of N-[3-(5-cyano-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)-2,4-difluorophenyl]pyrrolidine-1-sulfonamide?
The IUPAC name of N-[3-(5-cyano-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)-2,4-difluorophenyl]pyrrolidine-1-sulfonamide (CID 46913145) is N-[3-(5-cyano-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)-2,4-difluorophenyl]pyrrolidine-1-sulfonamide.
What is the SMILES notation for N-[3-(5-cyano-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)-2,4-difluorophenyl]pyrrolidine-1-sulfonamide?
The canonical SMILES for N-[3-(5-cyano-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)-2,4-difluorophenyl]pyrrolidine-1-sulfonamide is N#Cc1cnc2[nH]cc(C(=O)c3c(F)ccc(NS(=O)(=O)N4CCCC4)c3F)c2c1.
What is the InChIKey of N-[3-(5-cyano-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)-2,4-difluorophenyl]pyrrolidine-1-sulfonamide?
The InChIKey is IBGAPONMISVNOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15F2N5O3S/c20-14-3-4-15(25-30(28,29)26-5-1-2-6-26)17(21)16(14)18(27)13-10-24-19-12(13)7-11(8-22)9-23-19/h3-4,7,9-10,25H,1-2,5-6H2,(H,23,24).
What are the key properties of N-[3-(5-cyano-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)-2,4-difluorophenyl]pyrrolidine-1-sulfonamide?
N-[3-(5-cyano-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)-2,4-difluorophenyl]pyrrolidine-1-sulfonamide has a molecular weight of 431.42 g/mol, XLogP of 2.70, 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]pyrrolidine-1-sulfonamide is sourced from PubChem (CID 46913145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).