N-[2-[[4-(1-methyl-4-pyridin-4-ylpyrazol-3-yl)phenoxy]methyl]quinolin-4-yl]methanesulfonamide

C26H23N5O3S — CID 167444521

IUPACN-[2-[[4-(1-methyl-4-pyridin-4-ylpyrazol-3-yl)phenoxy]methyl]quinolin-4-yl]methanesulfonamide
SMILESCn1cc(-c2ccncc2)c(-c2ccc(OCc3cc(NS(C)(=O)=O)c4ccccc4n3)cc2)n1
InChIInChI=1S/C26H23N5O3S/c1-31-16-23(18-11-13-27-14-12-18)26(29-31)19-7-9-21(10-8-19)34-17-20-15-25(30-35(2,32)33)22-5-3-4-6-24(22)28-20/h3-16H,17H2,1-2H3,(H,28,30)
InChIKeyWWQDWKACCWHBFR-UHFFFAOYSA-N
MW485.57 g/mol
LogP4.65
Rot. Bonds7

About N-[2-[[4-(1-methyl-4-pyridin-4-ylpyrazol-3-yl)phenoxy]methyl]quinolin-4-yl]methanesulfonamide

N-[2-[[4-(1-methyl-4-pyridin-4-ylpyrazol-3-yl)phenoxy]methyl]quinolin-4-yl]methanesulfonamide (PubChem CID 167444521) has the molecular formula C26H23N5O3S and a molecular weight of 485.57 g/mol. Its IUPAC name is N-[2-[[4-(1-methyl-4-pyridin-4-ylpyrazol-3-yl)phenoxy]methyl]quinolin-4-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[2-[[4-(1-methyl-4-pyridin-4-ylpyrazol-3-yl)phenoxy]methyl]quinolin-4-yl]methanesulfonamide
PubChem CID167444521
Molecular FormulaC26H23N5O3S
Molecular Weight485.57 g/mol
Exact Mass485.15
IUPAC NameN-[2-[[4-(1-methyl-4-pyridin-4-ylpyrazol-3-yl)phenoxy]methyl]quinolin-4-yl]methanesulfonamide
SMILESCn1cc(-c2ccncc2)c(-c2ccc(OCc3cc(NS(C)(=O)=O)c4ccccc4n3)cc2)n1
InChIInChI=1S/C26H23N5O3S/c1-31-16-23(18-11-13-27-14-12-18)26(29-31)19-7-9-21(10-8-19)34-17-20-15-25(30-35(2,32)33)22-5-3-4-6-24(22)28-20/h3-16H,17H2,1-2H3,(H,28,30)
InChIKeyWWQDWKACCWHBFR-UHFFFAOYSA-N
XLogP4.65
TPSA99.00 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.57
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[2-[[4-(1-methyl-4-pyridin-4-ylpyrazol-3-yl)phenoxy]methyl]quinolin-4-yl]methanesulfonamide with MolForge

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Related Compounds

2-((4-(1-methyl-4-pyridin-4-yl-1H-pyrazol-3-yl)phenoxy)methyl)quinoline
CID 11581936
2-{4-[4-Pyridin-4-YL-1-(2,2,2-trifluoro-ethyl)-1H-pyrazol-3-YL]-phenoxymethyl}-quinoline
CID 11648276
2-((4-(4-pyridin-4-yl-1H-pyrazol-3-yl)phenoxy)methyl)quinoline
CID 11610553
2-[4-(1-Ethyl-4-pyridin-4-yl-1H-pyrazol-3-yl)-phenoxymethyl]-quinoline
CID 11682906
2-({4-[4-(pyridin-4-ylmethyl)-1H-pyrazol-3-yl]phenoxy}methyl)quinoline
CID 44141871
2-[4-(1-Methyl-4-pyridin-4-yl-1H-pyrazol-3-yl)-phenoxymethyl]-quinoxaline
CID 11545641
Pyrazole, 16
CID 11567059
LY2109761
CID 11655119
2-[4-(2-Ethyl-4-pyridin-4-yl-2H-pyrazol-3-yl)-phenoxymethyl]-quinoline
CID 11661426
Pyrazole, 17
CID 11668015
2-[(4-(2-Methyl-4-(pyridin-4-yl)-2H-pyrazol-3-yl)phenoxy)methyl]quinoline
CID 11668304
Dihydropyrrolopyrazole, 16a
CID 21992654

Frequently Asked Questions

What is the IUPAC name of N-[2-[[4-(1-methyl-4-pyridin-4-ylpyrazol-3-yl)phenoxy]methyl]quinolin-4-yl]methanesulfonamide?
The IUPAC name of N-[2-[[4-(1-methyl-4-pyridin-4-ylpyrazol-3-yl)phenoxy]methyl]quinolin-4-yl]methanesulfonamide (CID 167444521) is N-[2-[[4-(1-methyl-4-pyridin-4-ylpyrazol-3-yl)phenoxy]methyl]quinolin-4-yl]methanesulfonamide.
What is the SMILES notation for N-[2-[[4-(1-methyl-4-pyridin-4-ylpyrazol-3-yl)phenoxy]methyl]quinolin-4-yl]methanesulfonamide?
The canonical SMILES for N-[2-[[4-(1-methyl-4-pyridin-4-ylpyrazol-3-yl)phenoxy]methyl]quinolin-4-yl]methanesulfonamide is Cn1cc(-c2ccncc2)c(-c2ccc(OCc3cc(NS(C)(=O)=O)c4ccccc4n3)cc2)n1.
What is the InChIKey of N-[2-[[4-(1-methyl-4-pyridin-4-ylpyrazol-3-yl)phenoxy]methyl]quinolin-4-yl]methanesulfonamide?
The InChIKey is WWQDWKACCWHBFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23N5O3S/c1-31-16-23(18-11-13-27-14-12-18)26(29-31)19-7-9-21(10-8-19)34-17-20-15-25(30-35(2,32)33)22-5-3-4-6-24(22)28-20/h3-16H,17H2,1-2H3,(H,28,30).
What are the key properties of N-[2-[[4-(1-methyl-4-pyridin-4-ylpyrazol-3-yl)phenoxy]methyl]quinolin-4-yl]methanesulfonamide?
N-[2-[[4-(1-methyl-4-pyridin-4-ylpyrazol-3-yl)phenoxy]methyl]quinolin-4-yl]methanesulfonamide has a molecular weight of 485.57 g/mol, XLogP of 4.65, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[4-(1-methyl-4-pyridin-4-ylpyrazol-3-yl)phenoxy]methyl]quinolin-4-yl]methanesulfonamide is sourced from PubChem (CID 167444521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).