N-[4-fluoro-3-[5-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]phenyl]-3-(trifluoromethyl)benzenesulfonamide

C25H17F4N5O3S — CID 66646486

IUPACN-[4-fluoro-3-[5-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]phenyl]-3-(trifluoromethyl)benzenesulfonamide
SMILESCn1cc(-c2cnc3[nH]cc(C(=O)c4cc(NS(=O)(=O)c5cccc(C(F)(F)F)c5)ccc4F)c3c2)cn1
InChIInChI=1S/C25H17F4N5O3S/c1-34-13-15(11-32-34)14-7-19-21(12-31-24(19)30-10-14)23(35)20-9-17(5-6-22(20)26)33-38(36,37)18-4-2-3-16(8-18)25(27,28)29/h2-13,33H,1H3,(H,30,31)
InChIKeyCZIKVOIGVCUVDH-UHFFFAOYSA-N
MW543.50 g/mol
LogP5.15
Rot. Bonds6

About N-[4-fluoro-3-[5-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]phenyl]-3-(trifluoromethyl)benzenesulfonamide

N-[4-fluoro-3-[5-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]phenyl]-3-(trifluoromethyl)benzenesulfonamide (PubChem CID 66646486) has the molecular formula C25H17F4N5O3S and a molecular weight of 543.50 g/mol. Its IUPAC name is N-[4-fluoro-3-[5-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]phenyl]-3-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-[4-fluoro-3-[5-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]phenyl]-3-(trifluoromethyl)benzenesulfonamide
PubChem CID66646486
Molecular FormulaC25H17F4N5O3S
Molecular Weight543.50 g/mol
Exact Mass543.10
IUPAC NameN-[4-fluoro-3-[5-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]phenyl]-3-(trifluoromethyl)benzenesulfonamide
SMILESCn1cc(-c2cnc3[nH]cc(C(=O)c4cc(NS(=O)(=O)c5cccc(C(F)(F)F)c5)ccc4F)c3c2)cn1
InChIInChI=1S/C25H17F4N5O3S/c1-34-13-15(11-32-34)14-7-19-21(12-31-24(19)30-10-14)23(35)20-9-17(5-6-22(20)26)33-38(36,37)18-4-2-3-16(8-18)25(27,28)29/h2-13,33H,1H3,(H,30,31)
InChIKeyCZIKVOIGVCUVDH-UHFFFAOYSA-N
XLogP5.15
TPSA109.74 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500543.50
LogP ≤ 55.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[4-fluoro-3-[5-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]phenyl]-3-(trifluoromethyl)benzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[4-fluoro-3-[5-(3-methylsulfonylphenyl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]phenyl]pyridine-3-sulfonamide
CID 66647008
N-[2,4-difluoro-3-[5-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]phenyl]propane-1-sulfonamide
CID 58087124
N-[3-[5-(1-amino-3-methyliminoprop-1-en-2-yl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]phenyl]-3-(trifluoromethyl)benzenesulfonamide
CID 162588048
2-[5-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-N-[4-(trifluoromethyl)phenyl]acetamide
CID 134808074
N-[4-fluoro-3-[5-[3-(methanesulfinamido)phenyl]-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]phenyl]cyclohexanesulfonamide;hydrate
CID 160994096
4-chloro-N-[4-fluoro-3-(1H-pyrrolo[2,3-b]pyridine-3-carbonyl)phenyl]benzenesulfonamide
CID 66646772
4-[4-[3-[2,6-difluoro-3-[[4-(trifluoromethyl)phenyl]sulfonylamino]benzoyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]pyrazol-1-yl]piperidine-1-carboxylic acid
CID 140565564
N-[3-[3-(5-fluoro-2-methylbenzoyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]methanesulfonamide
CID 11339236
N-[3-[5-(4-chlorophenyl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]-2-fluorophenyl]methanesulfonamide
CID 135248889
N-[3-[5-[3-(methanesulfonamido)phenyl]-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]phenyl]pyridine-3-sulfonamide
CID 66646848
tert-butyl 4-[4-[3-[2,6-difluoro-3-[[4-(trifluoromethyl)phenyl]sulfonylamino]benzoyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]pyrazol-1-yl]piperidine-1-carboxylate
CID 53262270
N-[3-[3-(4-chlorobenzoyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]methanesulfonamide
CID 11189486

Frequently Asked Questions

What is the IUPAC name of N-[4-fluoro-3-[5-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]phenyl]-3-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of N-[4-fluoro-3-[5-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]phenyl]-3-(trifluoromethyl)benzenesulfonamide (CID 66646486) is N-[4-fluoro-3-[5-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]phenyl]-3-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for N-[4-fluoro-3-[5-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]phenyl]-3-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for N-[4-fluoro-3-[5-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]phenyl]-3-(trifluoromethyl)benzenesulfonamide is Cn1cc(-c2cnc3[nH]cc(C(=O)c4cc(NS(=O)(=O)c5cccc(C(F)(F)F)c5)ccc4F)c3c2)cn1.
What is the InChIKey of N-[4-fluoro-3-[5-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]phenyl]-3-(trifluoromethyl)benzenesulfonamide?
The InChIKey is CZIKVOIGVCUVDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H17F4N5O3S/c1-34-13-15(11-32-34)14-7-19-21(12-31-24(19)30-10-14)23(35)20-9-17(5-6-22(20)26)33-38(36,37)18-4-2-3-16(8-18)25(27,28)29/h2-13,33H,1H3,(H,30,31).
What are the key properties of N-[4-fluoro-3-[5-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]phenyl]-3-(trifluoromethyl)benzenesulfonamide?
N-[4-fluoro-3-[5-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]phenyl]-3-(trifluoromethyl)benzenesulfonamide has a molecular weight of 543.50 g/mol, XLogP of 5.15, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-fluoro-3-[5-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]phenyl]-3-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 66646486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).