2,3-dimethyl-4-[4-[5-(2-morpholin-4-yl-4-pyridinyl)-1H-pyrazol-4-yl]phenyl]benzenesulfonamide

C26H27N5O3S — CID 166490659

IUPAC2,3-dimethyl-4-[4-[5-(2-morpholin-4-yl-4-pyridinyl)-1H-pyrazol-4-yl]phenyl]benzenesulfonamide
SMILESCc1c(-c2ccc(-c3cn[nH]c3-c3ccnc(N4CCOCC4)c3)cc2)ccc(S(N)(=O)=O)c1C
InChIInChI=1S/C26H27N5O3S/c1-17-18(2)24(35(27,32)33)8-7-22(17)19-3-5-20(6-4-19)23-16-29-30-26(23)21-9-10-28-25(15-21)31-11-13-34-14-12-31/h3-10,15-16H,11-14H2,1-2H3,(H,29,30)(H2,27,32,33)
InChIKeyOUWOAMPJEASGND-UHFFFAOYSA-N
MW489.60 g/mol
LogP3.91
Rot. Bonds5

About 2,3-dimethyl-4-[4-[5-(2-morpholin-4-yl-4-pyridinyl)-1H-pyrazol-4-yl]phenyl]benzenesulfonamide

2,3-dimethyl-4-[4-[5-(2-morpholin-4-yl-4-pyridinyl)-1H-pyrazol-4-yl]phenyl]benzenesulfonamide (PubChem CID 166490659) has the molecular formula C26H27N5O3S and a molecular weight of 489.60 g/mol. Its IUPAC name is 2,3-dimethyl-4-[4-[5-(2-morpholin-4-yl-4-pyridinyl)-1H-pyrazol-4-yl]phenyl]benzenesulfonamide.

Molecular Properties

Compound Name2,3-dimethyl-4-[4-[5-(2-morpholin-4-yl-4-pyridinyl)-1H-pyrazol-4-yl]phenyl]benzenesulfonamide
PubChem CID166490659
Molecular FormulaC26H27N5O3S
Molecular Weight489.60 g/mol
Exact Mass489.18
IUPAC Name2,3-dimethyl-4-[4-[5-(2-morpholin-4-yl-4-pyridinyl)-1H-pyrazol-4-yl]phenyl]benzenesulfonamide
SMILESCc1c(-c2ccc(-c3cn[nH]c3-c3ccnc(N4CCOCC4)c3)cc2)ccc(S(N)(=O)=O)c1C
InChIInChI=1S/C26H27N5O3S/c1-17-18(2)24(35(27,32)33)8-7-22(17)19-3-5-20(6-4-19)23-16-29-30-26(23)21-9-10-28-25(15-21)31-11-13-34-14-12-31/h3-10,15-16H,11-14H2,1-2H3,(H,29,30)(H2,27,32,33)
InChIKeyOUWOAMPJEASGND-UHFFFAOYSA-N
XLogP3.91
TPSA114.20 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.60
LogP ≤ 53.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-[4-[4-[4-(6-methyl-2-pyridinyl)-1H-pyrazol-5-yl]-2-pyridinyl]phenyl]morpholine
CID 58612159
4-methyl-3-[4-(5-pyridin-4-yl-1H-pyrazol-4-yl)phenyl]benzenesulfonamide
CID 166490711
4-[4-(2-methyl-5-nitroso-3-pyridinyl)-2-pyridinyl]morpholine
CID 168928475
2-methyl-4-[3-(2-piperidin-1-yl-4-pyridinyl)-1,2,4-oxadiazol-5-yl]benzenesulfonamide
CID 86806468
N-ethyl-4-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]pyridin-2-amine;morpholine
CID 174409747
2-amino-3-(3-hydroxy-2,6-dimethylphenyl)-5-(2-morpholin-4-yl-4-pyridinyl)benzamide
CID 171934732
2-[3-(4-pyridin-4-yl-1H-pyrazol-5-yl)phenyl]-4-(trifluoromethoxy)benzenesulfonamide
CID 150527692
2-[3-(4-pyridin-4-yl-1H-pyrazol-5-yl)phenyl]-4-(trifluoromethyl)benzenesulfonamide
CID 151220334
2,3-dimethyl-4-(3-morpholin-4-ylquinoxalin-6-yl)benzamide
CID 174653885
4-[4-(2-methoxyphenyl)-2-pyridinyl]morpholine
CID 134375667
4-[4-[6-fluoro-5-(methylsulfonylmethyl)-1H-indazol-3-yl]-2-pyridinyl]morpholine
CID 90400995
4-[4-(4-aminophenyl)-1H-pyrazol-5-yl]benzenesulfonamide
CID 19355772

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-4-[4-[5-(2-morpholin-4-yl-4-pyridinyl)-1H-pyrazol-4-yl]phenyl]benzenesulfonamide?
The IUPAC name of 2,3-dimethyl-4-[4-[5-(2-morpholin-4-yl-4-pyridinyl)-1H-pyrazol-4-yl]phenyl]benzenesulfonamide (CID 166490659) is 2,3-dimethyl-4-[4-[5-(2-morpholin-4-yl-4-pyridinyl)-1H-pyrazol-4-yl]phenyl]benzenesulfonamide.
What is the SMILES notation for 2,3-dimethyl-4-[4-[5-(2-morpholin-4-yl-4-pyridinyl)-1H-pyrazol-4-yl]phenyl]benzenesulfonamide?
The canonical SMILES for 2,3-dimethyl-4-[4-[5-(2-morpholin-4-yl-4-pyridinyl)-1H-pyrazol-4-yl]phenyl]benzenesulfonamide is Cc1c(-c2ccc(-c3cn[nH]c3-c3ccnc(N4CCOCC4)c3)cc2)ccc(S(N)(=O)=O)c1C.
What is the InChIKey of 2,3-dimethyl-4-[4-[5-(2-morpholin-4-yl-4-pyridinyl)-1H-pyrazol-4-yl]phenyl]benzenesulfonamide?
The InChIKey is OUWOAMPJEASGND-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N5O3S/c1-17-18(2)24(35(27,32)33)8-7-22(17)19-3-5-20(6-4-19)23-16-29-30-26(23)21-9-10-28-25(15-21)31-11-13-34-14-12-31/h3-10,15-16H,11-14H2,1-2H3,(H,29,30)(H2,27,32,33).
What are the key properties of 2,3-dimethyl-4-[4-[5-(2-morpholin-4-yl-4-pyridinyl)-1H-pyrazol-4-yl]phenyl]benzenesulfonamide?
2,3-dimethyl-4-[4-[5-(2-morpholin-4-yl-4-pyridinyl)-1H-pyrazol-4-yl]phenyl]benzenesulfonamide has a molecular weight of 489.60 g/mol, XLogP of 3.91, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-4-[4-[5-(2-morpholin-4-yl-4-pyridinyl)-1H-pyrazol-4-yl]phenyl]benzenesulfonamide is sourced from PubChem (CID 166490659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).