N-[2,4-difluoro-3-(5-imidazo[1,2-a]pyridin-5-yl-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)phenyl]-3-fluorobenzenesulfonamide

C27H16F3N5O3S — CID 58368721

IUPACN-[2,4-difluoro-3-(5-imidazo[1,2-a]pyridin-5-yl-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)phenyl]-3-fluorobenzenesulfonamide
SMILESO=C(c1c(F)ccc(NS(=O)(=O)c2cccc(F)c2)c1F)c1c[nH]c2ncc(-c3cccc4nccn34)cc12
InChIInChI=1S/C27H16F3N5O3S/c28-16-3-1-4-17(12-16)39(37,38)34-21-8-7-20(29)24(25(21)30)26(36)19-14-33-27-18(19)11-15(13-32-27)22-5-2-6-23-31-9-10-35(22)23/h1-14,34H,(H,32,33)
InChIKeyYHASLAXZCVCSQY-UHFFFAOYSA-N
MW547.52 g/mol
LogP5.33
Rot. Bonds6

About N-[2,4-difluoro-3-(5-imidazo[1,2-a]pyridin-5-yl-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)phenyl]-3-fluorobenzenesulfonamide

N-[2,4-difluoro-3-(5-imidazo[1,2-a]pyridin-5-yl-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)phenyl]-3-fluorobenzenesulfonamide (PubChem CID 58368721) has the molecular formula C27H16F3N5O3S and a molecular weight of 547.52 g/mol. Its IUPAC name is N-[2,4-difluoro-3-(5-imidazo[1,2-a]pyridin-5-yl-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)phenyl]-3-fluorobenzenesulfonamide.

Molecular Properties

Compound NameN-[2,4-difluoro-3-(5-imidazo[1,2-a]pyridin-5-yl-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)phenyl]-3-fluorobenzenesulfonamide
PubChem CID58368721
Molecular FormulaC27H16F3N5O3S
Molecular Weight547.52 g/mol
Exact Mass547.09
IUPAC NameN-[2,4-difluoro-3-(5-imidazo[1,2-a]pyridin-5-yl-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)phenyl]-3-fluorobenzenesulfonamide
SMILESO=C(c1c(F)ccc(NS(=O)(=O)c2cccc(F)c2)c1F)c1c[nH]c2ncc(-c3cccc4nccn34)cc12
InChIInChI=1S/C27H16F3N5O3S/c28-16-3-1-4-17(12-16)39(37,38)34-21-8-7-20(29)24(25(21)30)26(36)19-14-33-27-18(19)11-15(13-32-27)22-5-2-6-23-31-9-10-35(22)23/h1-14,34H,(H,32,33)
InChIKeyYHASLAXZCVCSQY-UHFFFAOYSA-N
XLogP5.33
TPSA109.22 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500547.52
LogP ≤ 55.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[2,4-difluoro-3-(5-imidazo[1,2-a]pyridin-5-yl-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)phenyl]-3-fluorobenzenesulfonamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[2,4-difluoro-3-(5-imidazo[1,2-a]pyridin-5-yl-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)phenyl]-3-fluorobenzenesulfonamide?
The IUPAC name of N-[2,4-difluoro-3-(5-imidazo[1,2-a]pyridin-5-yl-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)phenyl]-3-fluorobenzenesulfonamide (CID 58368721) is N-[2,4-difluoro-3-(5-imidazo[1,2-a]pyridin-5-yl-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)phenyl]-3-fluorobenzenesulfonamide.
What is the SMILES notation for N-[2,4-difluoro-3-(5-imidazo[1,2-a]pyridin-5-yl-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)phenyl]-3-fluorobenzenesulfonamide?
The canonical SMILES for N-[2,4-difluoro-3-(5-imidazo[1,2-a]pyridin-5-yl-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)phenyl]-3-fluorobenzenesulfonamide is O=C(c1c(F)ccc(NS(=O)(=O)c2cccc(F)c2)c1F)c1c[nH]c2ncc(-c3cccc4nccn34)cc12.
What is the InChIKey of N-[2,4-difluoro-3-(5-imidazo[1,2-a]pyridin-5-yl-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)phenyl]-3-fluorobenzenesulfonamide?
The InChIKey is YHASLAXZCVCSQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H16F3N5O3S/c28-16-3-1-4-17(12-16)39(37,38)34-21-8-7-20(29)24(25(21)30)26(36)19-14-33-27-18(19)11-15(13-32-27)22-5-2-6-23-31-9-10-35(22)23/h1-14,34H,(H,32,33).
What are the key properties of N-[2,4-difluoro-3-(5-imidazo[1,2-a]pyridin-5-yl-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)phenyl]-3-fluorobenzenesulfonamide?
N-[2,4-difluoro-3-(5-imidazo[1,2-a]pyridin-5-yl-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)phenyl]-3-fluorobenzenesulfonamide has a molecular weight of 547.52 g/mol, XLogP of 5.33, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,4-difluoro-3-(5-imidazo[1,2-a]pyridin-5-yl-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)phenyl]-3-fluorobenzenesulfonamide is sourced from PubChem (CID 58368721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).