N-[5-chloro-3-[1-(2,6-difluoro-4-iodophenyl)-3-pyridin-4-ylpyrazol-4-yl]-2-fluorophenyl]cyclopentanesulfonamide

C25H19ClF3IN4O2S — CID 178178735

IUPACN-[5-chloro-3-[1-(2,6-difluoro-4-iodophenyl)-3-pyridin-4-ylpyrazol-4-yl]-2-fluorophenyl]cyclopentanesulfonamide
SMILESO=S(=O)(Nc1cc(Cl)cc(-c2cn(-c3c(F)cc(I)cc3F)nc2-c2ccncc2)c1F)C1CCCC1
InChIInChI=1S/C25H19ClF3IN4O2S/c26-15-9-18(23(29)22(10-15)33-37(35,36)17-3-1-2-4-17)19-13-34(25-20(27)11-16(30)12-21(25)28)32-24(19)14-5-7-31-8-6-14/h5-13,17,33H,1-4H2
InChIKeyUYRSGKKLHJPKFM-UHFFFAOYSA-N
MW658.87 g/mol
LogP6.96
Rot. Bonds6

About N-[5-chloro-3-[1-(2,6-difluoro-4-iodophenyl)-3-pyridin-4-ylpyrazol-4-yl]-2-fluorophenyl]cyclopentanesulfonamide

N-[5-chloro-3-[1-(2,6-difluoro-4-iodophenyl)-3-pyridin-4-ylpyrazol-4-yl]-2-fluorophenyl]cyclopentanesulfonamide (PubChem CID 178178735) has the molecular formula C25H19ClF3IN4O2S and a molecular weight of 658.87 g/mol. Its IUPAC name is N-[5-chloro-3-[1-(2,6-difluoro-4-iodophenyl)-3-pyridin-4-ylpyrazol-4-yl]-2-fluorophenyl]cyclopentanesulfonamide.

Molecular Properties

Compound NameN-[5-chloro-3-[1-(2,6-difluoro-4-iodophenyl)-3-pyridin-4-ylpyrazol-4-yl]-2-fluorophenyl]cyclopentanesulfonamide
PubChem CID178178735
Molecular FormulaC25H19ClF3IN4O2S
Molecular Weight658.87 g/mol
Exact Mass657.99
IUPAC NameN-[5-chloro-3-[1-(2,6-difluoro-4-iodophenyl)-3-pyridin-4-ylpyrazol-4-yl]-2-fluorophenyl]cyclopentanesulfonamide
SMILESO=S(=O)(Nc1cc(Cl)cc(-c2cn(-c3c(F)cc(I)cc3F)nc2-c2ccncc2)c1F)C1CCCC1
InChIInChI=1S/C25H19ClF3IN4O2S/c26-15-9-18(23(29)22(10-15)33-37(35,36)17-3-1-2-4-17)19-13-34(25-20(27)11-16(30)12-21(25)28)32-24(19)14-5-7-31-8-6-14/h5-13,17,33H,1-4H2
InChIKeyUYRSGKKLHJPKFM-UHFFFAOYSA-N
XLogP6.96
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500658.87
LogP ≤ 56.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

N-[3-[1-(4-amino-2,6-difluorophenyl)-3-pyridin-4-ylpyrazol-4-yl]-5-chloro-2-fluorophenyl]cyclopentanesulfonamide
CID 172570328
N-[5-chloro-3-[1-[4-[4-[[1-[5-[(3R)-2,6-dioxopiperidin-3-yl]-2-pyridinyl]piperidin-4-yl]methyl]piperazin-1-yl]-3-fluorophenyl]-3-pyridin-4-ylpyrazol-4-yl]-2-fluorophenyl]cyclopentanesulfonamide
CID 178178691
5-chloro-N-cyclopentylsulfanyl-2-fluoro-3-[1-(4-piperazin-1-ylphenyl)-3-pyridin-4-ylpyrazol-4-yl]aniline
CID 172570381
tert-butyl (2R,6R)-4-[4-[4-[5-chloro-2-fluoro-3-(pyrrolidin-1-ylsulfonylamino)phenyl]-3-pyridin-4-ylpyrazol-1-yl]-3-fluorophenyl]-2,6-dimethylpiperazine-1-carboxylate
CID 178178916
N-[5-chloro-3-[1-[5-[4-[[1-[4-[(3R)-2,6-dioxopiperidin-3-yl]phenyl]piperidin-4-yl]methyl]piperazin-1-yl]pyrimidin-2-yl]-3-pyridin-4-ylpyrazol-4-yl]-2-fluorophenyl]pyrrolidine-1-sulfonamide
CID 178179033
N-[5-chloro-2-fluoro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]cyclopentanesulfonamide
CID 172570346
N-[3,4-difluoro-2-(4-iodo-2-methylanilino)phenyl]cyclopentanesulfonamide
CID 143399893
1,1,1-trifluoro-N-[4-(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)phenyl]methanesulfonamide
CID 51353260
tert-butyl 4-[4-[4-[5-(difluoromethyl)-2-fluoro-3-(pyrrolidin-1-ylsulfonylamino)phenyl]-3-pyridin-4-ylpyrazol-1-yl]-3-fluorophenyl]piperazine-1-carboxylate
CID 172569937
4-chloro-2-(cyclopentylsulfonylamino)-N'-hydroxybenzenecarboximidamide
CID 105361632
1-(2,4-dichlorophenyl)-3-pyridin-4-ylpyrazole-4-carbaldehyde
CID 43324340
N-[8-chloro-7-(2-fluoro-4-iodoanilino)-3-methylimidazo[1,5-a]pyridin-6-yl]cyclopropanesulfonamide
CID 66999055

Frequently Asked Questions

What is the IUPAC name of N-[5-chloro-3-[1-(2,6-difluoro-4-iodophenyl)-3-pyridin-4-ylpyrazol-4-yl]-2-fluorophenyl]cyclopentanesulfonamide?
The IUPAC name of N-[5-chloro-3-[1-(2,6-difluoro-4-iodophenyl)-3-pyridin-4-ylpyrazol-4-yl]-2-fluorophenyl]cyclopentanesulfonamide (CID 178178735) is N-[5-chloro-3-[1-(2,6-difluoro-4-iodophenyl)-3-pyridin-4-ylpyrazol-4-yl]-2-fluorophenyl]cyclopentanesulfonamide.
What is the SMILES notation for N-[5-chloro-3-[1-(2,6-difluoro-4-iodophenyl)-3-pyridin-4-ylpyrazol-4-yl]-2-fluorophenyl]cyclopentanesulfonamide?
The canonical SMILES for N-[5-chloro-3-[1-(2,6-difluoro-4-iodophenyl)-3-pyridin-4-ylpyrazol-4-yl]-2-fluorophenyl]cyclopentanesulfonamide is O=S(=O)(Nc1cc(Cl)cc(-c2cn(-c3c(F)cc(I)cc3F)nc2-c2ccncc2)c1F)C1CCCC1.
What is the InChIKey of N-[5-chloro-3-[1-(2,6-difluoro-4-iodophenyl)-3-pyridin-4-ylpyrazol-4-yl]-2-fluorophenyl]cyclopentanesulfonamide?
The InChIKey is UYRSGKKLHJPKFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19ClF3IN4O2S/c26-15-9-18(23(29)22(10-15)33-37(35,36)17-3-1-2-4-17)19-13-34(25-20(27)11-16(30)12-21(25)28)32-24(19)14-5-7-31-8-6-14/h5-13,17,33H,1-4H2.
What are the key properties of N-[5-chloro-3-[1-(2,6-difluoro-4-iodophenyl)-3-pyridin-4-ylpyrazol-4-yl]-2-fluorophenyl]cyclopentanesulfonamide?
N-[5-chloro-3-[1-(2,6-difluoro-4-iodophenyl)-3-pyridin-4-ylpyrazol-4-yl]-2-fluorophenyl]cyclopentanesulfonamide has a molecular weight of 658.87 g/mol, XLogP of 6.96, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-chloro-3-[1-(2,6-difluoro-4-iodophenyl)-3-pyridin-4-ylpyrazol-4-yl]-2-fluorophenyl]cyclopentanesulfonamide is sourced from PubChem (CID 178178735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).