N-ethyl-6-[4-[(3-methoxy-2-pyridinyl)methyl]-5-methyl-3-oxo-1H-pyrazol-2-yl]-N-phenylpyridine-3-sulfonamide

C24H25N5O4S — CID 67455314

IUPACN-ethyl-6-[4-[(3-methoxy-2-pyridinyl)methyl]-5-methyl-3-oxo-1H-pyrazol-2-yl]-N-phenylpyridine-3-sulfonamide
SMILESCCN(c1ccccc1)S(=O)(=O)c1ccc(-n2[nH]c(C)c(Cc3ncccc3OC)c2=O)nc1
InChIInChI=1S/C24H25N5O4S/c1-4-28(18-9-6-5-7-10-18)34(31,32)19-12-13-23(26-16-19)29-24(30)20(17(2)27-29)15-21-22(33-3)11-8-14-25-21/h5-14,16,27H,4,15H2,1-3H3
InChIKeyPNIPBWWUFUHNRW-UHFFFAOYSA-N
MW479.56 g/mol
LogP3.08
Rot. Bonds8

About N-ethyl-6-[4-[(3-methoxy-2-pyridinyl)methyl]-5-methyl-3-oxo-1H-pyrazol-2-yl]-N-phenylpyridine-3-sulfonamide

N-ethyl-6-[4-[(3-methoxy-2-pyridinyl)methyl]-5-methyl-3-oxo-1H-pyrazol-2-yl]-N-phenylpyridine-3-sulfonamide (PubChem CID 67455314) has the molecular formula C24H25N5O4S and a molecular weight of 479.56 g/mol. Its IUPAC name is N-ethyl-6-[4-[(3-methoxy-2-pyridinyl)methyl]-5-methyl-3-oxo-1H-pyrazol-2-yl]-N-phenylpyridine-3-sulfonamide.

Molecular Properties

Compound NameN-ethyl-6-[4-[(3-methoxy-2-pyridinyl)methyl]-5-methyl-3-oxo-1H-pyrazol-2-yl]-N-phenylpyridine-3-sulfonamide
PubChem CID67455314
Molecular FormulaC24H25N5O4S
Molecular Weight479.56 g/mol
Exact Mass479.16
IUPAC NameN-ethyl-6-[4-[(3-methoxy-2-pyridinyl)methyl]-5-methyl-3-oxo-1H-pyrazol-2-yl]-N-phenylpyridine-3-sulfonamide
SMILESCCN(c1ccccc1)S(=O)(=O)c1ccc(-n2[nH]c(C)c(Cc3ncccc3OC)c2=O)nc1
InChIInChI=1S/C24H25N5O4S/c1-4-28(18-9-6-5-7-10-18)34(31,32)19-12-13-23(26-16-19)29-24(30)20(17(2)27-29)15-21-22(33-3)11-8-14-25-21/h5-14,16,27H,4,15H2,1-3H3
InChIKeyPNIPBWWUFUHNRW-UHFFFAOYSA-N
XLogP3.08
TPSA110.18 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.56
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-ethyl-6-[5-methyl-3-oxo-4-(pyridin-2-ylmethyl)-1H-pyrazol-2-yl]-N-phenylpyridine-3-sulfonamide
CID 46701025
6-(4-benzyl-5-methyl-3-oxo-1H-pyrazol-2-yl)-N-ethyl-N-phenylpyridine-3-sulfonamide
CID 46834602
6-[4-benzyl-3-oxo-5-(trifluoromethyl)-1H-pyrazol-2-yl]-N-ethyl-N-phenylpyridine-3-sulfonamide
CID 67453516
3-[[5-ethyl-2-[5-[ethyl(phenyl)sulfamoyl]-2-pyridinyl]-3-oxo-1H-pyrazol-4-yl]methyl]-2-methylbenzoic acid
CID 67462663
6-(5-benzyl-3-oxo-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-2-yl)-N-ethyl-N-phenylpyridine-3-sulfonamide
CID 46832023
N-ethyl-6-methoxy-N-phenylpyridine-3-sulfonamide
CID 5268434
N-ethyl-3,4-dimethoxy-N-phenylbenzenesulfonamide
CID 769001
N-ethyl-6-[methoxy(methyl)amino]-N-phenylpyridine-3-sulfonamide
CID 9107044
N-ethyl-6-(2-methoxy-5-methylanilino)-N-phenylpyridine-3-sulfonamide
CID 5268347
6-(4-acetylpiperazin-1-yl)-N-ethyl-N-phenylpyridine-3-sulfonamide
CID 4816070
6-[4-[(2,4-dichlorophenyl)methyl]-5-methyl-3-oxo-1H-pyrazol-2-yl]-N,N-di(propan-2-yl)pyridine-3-sulfonamide
CID 46700955
N-ethyl-6-[4-(1-methylimidazol-2-yl)piperazin-1-yl]-N-phenylpyridine-3-sulfonamide
CID 71867437

Frequently Asked Questions

What is the IUPAC name of N-ethyl-6-[4-[(3-methoxy-2-pyridinyl)methyl]-5-methyl-3-oxo-1H-pyrazol-2-yl]-N-phenylpyridine-3-sulfonamide?
The IUPAC name of N-ethyl-6-[4-[(3-methoxy-2-pyridinyl)methyl]-5-methyl-3-oxo-1H-pyrazol-2-yl]-N-phenylpyridine-3-sulfonamide (CID 67455314) is N-ethyl-6-[4-[(3-methoxy-2-pyridinyl)methyl]-5-methyl-3-oxo-1H-pyrazol-2-yl]-N-phenylpyridine-3-sulfonamide.
What is the SMILES notation for N-ethyl-6-[4-[(3-methoxy-2-pyridinyl)methyl]-5-methyl-3-oxo-1H-pyrazol-2-yl]-N-phenylpyridine-3-sulfonamide?
The canonical SMILES for N-ethyl-6-[4-[(3-methoxy-2-pyridinyl)methyl]-5-methyl-3-oxo-1H-pyrazol-2-yl]-N-phenylpyridine-3-sulfonamide is CCN(c1ccccc1)S(=O)(=O)c1ccc(-n2[nH]c(C)c(Cc3ncccc3OC)c2=O)nc1.
What is the InChIKey of N-ethyl-6-[4-[(3-methoxy-2-pyridinyl)methyl]-5-methyl-3-oxo-1H-pyrazol-2-yl]-N-phenylpyridine-3-sulfonamide?
The InChIKey is PNIPBWWUFUHNRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N5O4S/c1-4-28(18-9-6-5-7-10-18)34(31,32)19-12-13-23(26-16-19)29-24(30)20(17(2)27-29)15-21-22(33-3)11-8-14-25-21/h5-14,16,27H,4,15H2,1-3H3.
What are the key properties of N-ethyl-6-[4-[(3-methoxy-2-pyridinyl)methyl]-5-methyl-3-oxo-1H-pyrazol-2-yl]-N-phenylpyridine-3-sulfonamide?
N-ethyl-6-[4-[(3-methoxy-2-pyridinyl)methyl]-5-methyl-3-oxo-1H-pyrazol-2-yl]-N-phenylpyridine-3-sulfonamide has a molecular weight of 479.56 g/mol, XLogP of 3.08, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-6-[4-[(3-methoxy-2-pyridinyl)methyl]-5-methyl-3-oxo-1H-pyrazol-2-yl]-N-phenylpyridine-3-sulfonamide is sourced from PubChem (CID 67455314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).