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-sulfonamide

C24H17F5N6O3S — CID 67301003

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-sulfonamide
SMILESCCCS(=O)(=O)Nc1ccc(F)c(C(=O)c2c[nH]c3ncc(-c4cn5ccc(C(F)(F)F)nc5n4)cc23)c1F
InChIInChI=1S/C24H17F5N6O3S/c1-2-7-39(37,38)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)
InChIKeyFVHVLKBICXNLAP-UHFFFAOYSA-N
MW564.50 g/mol
LogP4.95
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-sulfonamide

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-sulfonamide (PubChem CID 67301003) has the molecular formula C24H17F5N6O3S and a molecular weight of 564.50 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-sulfonamide.

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-sulfonamide
PubChem CID67301003
Molecular FormulaC24H17F5N6O3S
Molecular Weight564.50 g/mol
Exact Mass564.10
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-sulfonamide
SMILESCCCS(=O)(=O)Nc1ccc(F)c(C(=O)c2c[nH]c3ncc(-c4cn5ccc(C(F)(F)F)nc5n4)cc23)c1F
InChIInChI=1S/C24H17F5N6O3S/c1-2-7-39(37,38)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)
InChIKeyFVHVLKBICXNLAP-UHFFFAOYSA-N
XLogP4.95
TPSA122.11 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500564.50
LogP ≤ 54.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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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-sulfonamide?
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-sulfonamide (CID 67301003) 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-sulfonamide.
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-sulfonamide?
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-sulfonamide is CCCS(=O)(=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-sulfonamide?
The InChIKey is FVHVLKBICXNLAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17F5N6O3S/c1-2-7-39(37,38)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-sulfonamide?
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-sulfonamide has a molecular weight of 564.50 g/mol, XLogP of 4.95, 7 rotatable bonds, 2 hydrogen bond donors, and 7 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-sulfonamide is sourced from PubChem (CID 67301003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).