N-[2,4-difluoro-3-[5-[7-(trifluoromethyl)imidazo[1,2-a]pyrimidin-2-yl]-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]phenyl]propane-1-sulfinamide

C24H17F5N6O2S — CID 123553363

IUPACN-[2,4-difluoro-3-[5-[7-(trifluoromethyl)imidazo[1,2-a]pyrimidin-2-yl]-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]phenyl]propane-1-sulfinamide
SMILESCCCS(=O)Nc1ccc(F)c(C(=O)c2c[nH]c3ncc(-c4cn5ccc(C(F)(F)F)nc5n4)cc23)c1F
InChIInChI=1S/C24H17F5N6O2S/c1-2-7-38(37)34-16-4-3-15(25)19(20(16)26)21(36)14-10-31-22-13(14)8-12(9-30-22)17-11-35-6-5-18(24(27,28)29)33-23(35)32-17/h3-6,8-11,34H,2,7H2,1H3,(H,30,31)
InChIKeyNZRLMICUHKDUTJ-UHFFFAOYSA-N
MW548.50 g/mol
LogP5.29
Rot. Bonds7

About N-[2,4-difluoro-3-[5-[7-(trifluoromethyl)imidazo[1,2-a]pyrimidin-2-yl]-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]phenyl]propane-1-sulfinamide

N-[2,4-difluoro-3-[5-[7-(trifluoromethyl)imidazo[1,2-a]pyrimidin-2-yl]-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]phenyl]propane-1-sulfinamide (PubChem CID 123553363) has the molecular formula C24H17F5N6O2S and a molecular weight of 548.50 g/mol. Its IUPAC name is N-[2,4-difluoro-3-[5-[7-(trifluoromethyl)imidazo[1,2-a]pyrimidin-2-yl]-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]phenyl]propane-1-sulfinamide.

Molecular Properties

Compound NameN-[2,4-difluoro-3-[5-[7-(trifluoromethyl)imidazo[1,2-a]pyrimidin-2-yl]-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]phenyl]propane-1-sulfinamide
PubChem CID123553363
Molecular FormulaC24H17F5N6O2S
Molecular Weight548.50 g/mol
Exact Mass548.11
IUPAC NameN-[2,4-difluoro-3-[5-[7-(trifluoromethyl)imidazo[1,2-a]pyrimidin-2-yl]-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]phenyl]propane-1-sulfinamide
SMILESCCCS(=O)Nc1ccc(F)c(C(=O)c2c[nH]c3ncc(-c4cn5ccc(C(F)(F)F)nc5n4)cc23)c1F
InChIInChI=1S/C24H17F5N6O2S/c1-2-7-38(37)34-16-4-3-15(25)19(20(16)26)21(36)14-10-31-22-13(14)8-12(9-30-22)17-11-35-6-5-18(24(27,28)29)33-23(35)32-17/h3-6,8-11,34H,2,7H2,1H3,(H,30,31)
InChIKeyNZRLMICUHKDUTJ-UHFFFAOYSA-N
XLogP5.29
TPSA105.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500548.50
LogP ≤ 55.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[2,4-difluoro-3-[5-[7-(trifluoromethyl)imidazo[1,2-a]pyrimidin-2-yl]-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]phenyl]propane-1-sulfinamide with MolForge

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Related Compounds

Plx8394
CID 90116675
Plx4032
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CID 44199417
(3S)-N-[3-[5-(2-cyclopropylpyrimidin-5-yl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]-2,4-difluorophenyl]-3-fluoropyrrolidine-1-sulfonamide
CID 90116353
5-(2-cyclopropylpyrimidin-5-yl)-3-(3-((ethyl(methyl)sulfamoyl)amino)-2,6-difluorobenzoyl)-1H-pyrrolo(2,3-b)pyridine
CID 90116945
(4,7-Dimethyl-1H-indol-3-yl)-[4-(2-methyl-imidazo[4,5-c]pyridin-1-ylmethyl)-phenyl]-methanone
CID 10596801
2,6-difluoro-N-(2-phenyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-3-(propylsulfonamido)benzamide
CID 44223627
2,6-difluoro-3-(propylsulfonylamino)-N-[2-[3-(trifluoromethyl)phenyl]-1H-imidazo[4,5-b]pyridin-6-yl]benzamide
CID 44231244
N-[2-fluoro-3-[5-(2-methoxypyrimidin-5-yl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]phenyl]-1-phenylmethanesulfonamide
CID 146302404
5-[8-(ethylamino)-6-fluoro-4-[3-(trifluoromethyl)pyrazol-1-yl]-9H-pyrido[2,3-b]indol-3-yl]-N-methylpyridine-3-carboxamide
CID 146597342
5-[8-(ethylamino)-6-fluoro-4-[3-(trifluoromethyl)pyrazol-1-yl]-9H-pyrido[2,3-b]indol-3-yl]pyridine-3-carboxamide
CID 146646636
(4-amino-7-propan-2-ylpyrrolo[2,3-d]pyrimidin-5-yl)-[6-[[(2R,3R)-2-(4-fluorophenyl)pyrrolidin-3-yl]amino]pyrazin-2-yl]methanone
CID 56926701

Frequently Asked Questions

What is the IUPAC name of N-[2,4-difluoro-3-[5-[7-(trifluoromethyl)imidazo[1,2-a]pyrimidin-2-yl]-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]phenyl]propane-1-sulfinamide?
The IUPAC name of N-[2,4-difluoro-3-[5-[7-(trifluoromethyl)imidazo[1,2-a]pyrimidin-2-yl]-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]phenyl]propane-1-sulfinamide (CID 123553363) is N-[2,4-difluoro-3-[5-[7-(trifluoromethyl)imidazo[1,2-a]pyrimidin-2-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-[7-(trifluoromethyl)imidazo[1,2-a]pyrimidin-2-yl]-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]phenyl]propane-1-sulfinamide?
The canonical SMILES for N-[2,4-difluoro-3-[5-[7-(trifluoromethyl)imidazo[1,2-a]pyrimidin-2-yl]-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]phenyl]propane-1-sulfinamide is CCCS(=O)Nc1ccc(F)c(C(=O)c2c[nH]c3ncc(-c4cn5ccc(C(F)(F)F)nc5n4)cc23)c1F.
What is the InChIKey of N-[2,4-difluoro-3-[5-[7-(trifluoromethyl)imidazo[1,2-a]pyrimidin-2-yl]-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]phenyl]propane-1-sulfinamide?
The InChIKey is NZRLMICUHKDUTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17F5N6O2S/c1-2-7-38(37)34-16-4-3-15(25)19(20(16)26)21(36)14-10-31-22-13(14)8-12(9-30-22)17-11-35-6-5-18(24(27,28)29)33-23(35)32-17/h3-6,8-11,34H,2,7H2,1H3,(H,30,31).
What are the key properties of N-[2,4-difluoro-3-[5-[7-(trifluoromethyl)imidazo[1,2-a]pyrimidin-2-yl]-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]phenyl]propane-1-sulfinamide?
N-[2,4-difluoro-3-[5-[7-(trifluoromethyl)imidazo[1,2-a]pyrimidin-2-yl]-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]phenyl]propane-1-sulfinamide has a molecular weight of 548.50 g/mol, XLogP of 5.29, 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-[7-(trifluoromethyl)imidazo[1,2-a]pyrimidin-2-yl]-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]phenyl]propane-1-sulfinamide is sourced from PubChem (CID 123553363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).