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

C24H19F2N5O2S — CID 123474962

IUPACN-[2,4-difluoro-3-(5-imidazo[1,2-a]pyridin-5-yl-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)phenyl]propane-1-sulfinamide
SMILESCCCS(=O)Nc1ccc(F)c(C(=O)c2c[nH]c3ncc(-c4cccc5nccn45)cc23)c1F
InChIInChI=1S/C24H19F2N5O2S/c1-2-10-34(33)30-18-7-6-17(25)21(22(18)26)23(32)16-13-29-24-15(16)11-14(12-28-24)19-4-3-5-20-27-8-9-31(19)20/h3-9,11-13,30H,2,10H2,1H3,(H,28,29)
InChIKeySUBJWGHBFZNIPB-UHFFFAOYSA-N
MW479.51 g/mol
LogP4.87
Rot. Bonds7

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

N-[2,4-difluoro-3-(5-imidazo[1,2-a]pyridin-5-yl-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)phenyl]propane-1-sulfinamide (PubChem CID 123474962) has the molecular formula C24H19F2N5O2S and a molecular weight of 479.51 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]propane-1-sulfinamide.

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]propane-1-sulfinamide
PubChem CID123474962
Molecular FormulaC24H19F2N5O2S
Molecular Weight479.51 g/mol
Exact Mass479.12
IUPAC NameN-[2,4-difluoro-3-(5-imidazo[1,2-a]pyridin-5-yl-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)phenyl]propane-1-sulfinamide
SMILESCCCS(=O)Nc1ccc(F)c(C(=O)c2c[nH]c3ncc(-c4cccc5nccn45)cc23)c1F
InChIInChI=1S/C24H19F2N5O2S/c1-2-10-34(33)30-18-7-6-17(25)21(22(18)26)23(32)16-13-29-24-15(16)11-14(12-28-24)19-4-3-5-20-27-8-9-31(19)20/h3-9,11-13,30H,2,10H2,1H3,(H,28,29)
InChIKeySUBJWGHBFZNIPB-UHFFFAOYSA-N
XLogP4.87
TPSA92.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.51
LogP ≤ 54.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[2,4-difluoro-3-(5-imidazo[1,2-a]pyridin-5-yl-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)phenyl]propane-1-sulfinamide 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]propane-1-sulfinamide?
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]propane-1-sulfinamide (CID 123474962) is N-[2,4-difluoro-3-(5-imidazo[1,2-a]pyridin-5-yl-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)phenyl]propane-1-sulfinamide.
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]propane-1-sulfinamide?
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]propane-1-sulfinamide is CCCS(=O)Nc1ccc(F)c(C(=O)c2c[nH]c3ncc(-c4cccc5nccn45)cc23)c1F.
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]propane-1-sulfinamide?
The InChIKey is SUBJWGHBFZNIPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19F2N5O2S/c1-2-10-34(33)30-18-7-6-17(25)21(22(18)26)23(32)16-13-29-24-15(16)11-14(12-28-24)19-4-3-5-20-27-8-9-31(19)20/h3-9,11-13,30H,2,10H2,1H3,(H,28,29).
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]propane-1-sulfinamide?
N-[2,4-difluoro-3-(5-imidazo[1,2-a]pyridin-5-yl-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)phenyl]propane-1-sulfinamide has a molecular weight of 479.51 g/mol, XLogP of 4.87, 7 rotatable bonds, 2 hydrogen bond donors, and 5 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]propane-1-sulfinamide is sourced from PubChem (CID 123474962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).