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

C24H19F2N5O3S — CID 58368845

IUPACN-[2,4-difluoro-3-(5-imidazo[1,2-a]pyridin-2-yl-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)phenyl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)Nc1ccc(F)c(C(=O)c2c[nH]c3ncc(-c4cn5ccccc5n4)cc23)c1F
InChIInChI=1S/C24H19F2N5O3S/c1-2-9-35(33,34)30-18-7-6-17(25)21(22(18)26)23(32)16-12-28-24-15(16)10-14(11-27-24)19-13-31-8-4-3-5-20(31)29-19/h3-8,10-13,30H,2,9H2,1H3,(H,27,28)
InChIKeyOEUKKWQSCRGDOP-UHFFFAOYSA-N
MW495.51 g/mol
LogP4.54
Rot. Bonds7

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

N-[2,4-difluoro-3-(5-imidazo[1,2-a]pyridin-2-yl-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)phenyl]propane-1-sulfonamide (PubChem CID 58368845) has the molecular formula C24H19F2N5O3S and a molecular weight of 495.51 g/mol. Its IUPAC name is N-[2,4-difluoro-3-(5-imidazo[1,2-a]pyridin-2-yl-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)phenyl]propane-1-sulfonamide.

Molecular Properties

Compound NameN-[2,4-difluoro-3-(5-imidazo[1,2-a]pyridin-2-yl-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)phenyl]propane-1-sulfonamide
PubChem CID58368845
Molecular FormulaC24H19F2N5O3S
Molecular Weight495.51 g/mol
Exact Mass495.12
IUPAC NameN-[2,4-difluoro-3-(5-imidazo[1,2-a]pyridin-2-yl-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)phenyl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)Nc1ccc(F)c(C(=O)c2c[nH]c3ncc(-c4cn5ccccc5n4)cc23)c1F
InChIInChI=1S/C24H19F2N5O3S/c1-2-9-35(33,34)30-18-7-6-17(25)21(22(18)26)23(32)16-12-28-24-15(16)10-14(11-27-24)19-13-31-8-4-3-5-20(31)29-19/h3-8,10-13,30H,2,9H2,1H3,(H,27,28)
InChIKeyOEUKKWQSCRGDOP-UHFFFAOYSA-N
XLogP4.54
TPSA109.22 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.51
LogP ≤ 54.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[2,4-difluoro-3-(5-imidazo[1,2-a]pyridin-2-yl-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)phenyl]propane-1-sulfonamide 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-2-yl-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)phenyl]propane-1-sulfonamide?
The IUPAC name of N-[2,4-difluoro-3-(5-imidazo[1,2-a]pyridin-2-yl-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)phenyl]propane-1-sulfonamide (CID 58368845) is N-[2,4-difluoro-3-(5-imidazo[1,2-a]pyridin-2-yl-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)phenyl]propane-1-sulfonamide.
What is the SMILES notation for N-[2,4-difluoro-3-(5-imidazo[1,2-a]pyridin-2-yl-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)phenyl]propane-1-sulfonamide?
The canonical SMILES for N-[2,4-difluoro-3-(5-imidazo[1,2-a]pyridin-2-yl-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)phenyl]propane-1-sulfonamide is CCCS(=O)(=O)Nc1ccc(F)c(C(=O)c2c[nH]c3ncc(-c4cn5ccccc5n4)cc23)c1F.
What is the InChIKey of N-[2,4-difluoro-3-(5-imidazo[1,2-a]pyridin-2-yl-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)phenyl]propane-1-sulfonamide?
The InChIKey is OEUKKWQSCRGDOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19F2N5O3S/c1-2-9-35(33,34)30-18-7-6-17(25)21(22(18)26)23(32)16-12-28-24-15(16)10-14(11-27-24)19-13-31-8-4-3-5-20(31)29-19/h3-8,10-13,30H,2,9H2,1H3,(H,27,28).
What are the key properties of N-[2,4-difluoro-3-(5-imidazo[1,2-a]pyridin-2-yl-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)phenyl]propane-1-sulfonamide?
N-[2,4-difluoro-3-(5-imidazo[1,2-a]pyridin-2-yl-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)phenyl]propane-1-sulfonamide has a molecular weight of 495.51 g/mol, XLogP of 4.54, 7 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-2-yl-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)phenyl]propane-1-sulfonamide is sourced from PubChem (CID 58368845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).