4-ethoxy-N-(2-hydroxyethyl)-N-(2-methoxyethyl)-3-(1-methyl-7-oxo-3-propyl-6H-pyrazolo[3,4-c]pyridin-5-yl)benzenesulfonamide

C23H32N4O6S — CID 59868488

IUPAC4-ethoxy-N-(2-hydroxyethyl)-N-(2-methoxyethyl)-3-(1-methyl-7-oxo-3-propyl-6H-pyrazolo[3,4-c]pyridin-5-yl)benzenesulfonamide
SMILESCCCc1nn(C)c2c(=O)[nH]c(-c3cc(S(=O)(=O)N(CCO)CCOC)ccc3OCC)cc12
InChIInChI=1S/C23H32N4O6S/c1-5-7-19-18-15-20(24-23(29)22(18)26(3)25-19)17-14-16(8-9-21(17)33-6-2)34(30,31)27(10-12-28)11-13-32-4/h8-9,14-15,28H,5-7,10-13H2,1-4H3,(H,24,29)
InChIKeyKRNDASMVGVZBIZ-UHFFFAOYSA-N
MW492.60 g/mol
LogP1.91
Rot. Bonds12

About 4-ethoxy-N-(2-hydroxyethyl)-N-(2-methoxyethyl)-3-(1-methyl-7-oxo-3-propyl-6H-pyrazolo[3,4-c]pyridin-5-yl)benzenesulfonamide

4-ethoxy-N-(2-hydroxyethyl)-N-(2-methoxyethyl)-3-(1-methyl-7-oxo-3-propyl-6H-pyrazolo[3,4-c]pyridin-5-yl)benzenesulfonamide (PubChem CID 59868488) has the molecular formula C23H32N4O6S and a molecular weight of 492.60 g/mol. Its IUPAC name is 4-ethoxy-N-(2-hydroxyethyl)-N-(2-methoxyethyl)-3-(1-methyl-7-oxo-3-propyl-6H-pyrazolo[3,4-c]pyridin-5-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-ethoxy-N-(2-hydroxyethyl)-N-(2-methoxyethyl)-3-(1-methyl-7-oxo-3-propyl-6H-pyrazolo[3,4-c]pyridin-5-yl)benzenesulfonamide
PubChem CID59868488
Molecular FormulaC23H32N4O6S
Molecular Weight492.60 g/mol
Exact Mass492.20
IUPAC Name4-ethoxy-N-(2-hydroxyethyl)-N-(2-methoxyethyl)-3-(1-methyl-7-oxo-3-propyl-6H-pyrazolo[3,4-c]pyridin-5-yl)benzenesulfonamide
SMILESCCCc1nn(C)c2c(=O)[nH]c(-c3cc(S(=O)(=O)N(CCO)CCOC)ccc3OCC)cc12
InChIInChI=1S/C23H32N4O6S/c1-5-7-19-18-15-20(24-23(29)22(18)26(3)25-19)17-14-16(8-9-21(17)33-6-2)34(30,31)27(10-12-28)11-13-32-4/h8-9,14-15,28H,5-7,10-13H2,1-4H3,(H,24,29)
InChIKeyKRNDASMVGVZBIZ-UHFFFAOYSA-N
XLogP1.91
TPSA126.75 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds12
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.60
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

N,N-bis(3-hydroxypropyl)-4-methoxy-3-(1-methyl-7-oxo-3-propyl-6H-pyrazolo[3,4-c]pyridin-5-yl)benzenesulfonamide
CID 59868472
N-[2-(2-hydroxyethoxy)ethyl]-N-(3-hydroxypropyl)-4-methoxy-3-(1-methyl-7-oxo-3-propyl-6H-pyrazolo[3,4-c]pyridin-5-yl)benzenesulfonamide
CID 59868474
N-[2-(dimethylamino)ethyl]-4-ethoxy-N-methyl-3-(1-methyl-7-oxo-3-propyl-6H-pyrazolo[3,4-c]pyridin-5-yl)benzenesulfonamide
CID 59868502
3-[ethyl-[3-(1-methyl-7-oxo-3-propyl-6H-pyrazolo[3,4-c]pyridin-5-yl)-4-propoxyphenyl]sulfonylamino]propyl acetate
CID 59868518
N,N-bis(2-hydroxyethyl)-4-methoxy-3-(1-methyl-7-oxo-3-propyl-6H-pyrazolo[4,5-d]pyrimidin-5-yl)benzenesulfonamide
CID 135798117
4-ethoxy-3-(1-methyl-7-oxo-3-propyl-6H-pyrazolo[3,4-c]pyridin-5-yl)-N-(2-morpholin-4-ylethyl)-N-phenylbenzenesulfonamide
CID 59868473
2-[2-acetyloxyethyl-[3-(1-methyl-7-oxo-3-propyl-6H-pyrazolo[4,5-d]pyrimidin-5-yl)-4-propoxyphenyl]sulfonylamino]ethyl acetate;N,N-bis(2-hydroxyethyl)-3-(1-methyl-7-oxo-3-propyl-6H-pyrazolo[4,5-d]pyrimidin-5-yl)-4-propoxybenzenesulfonamide
CID 161415886
N-[2-(diethylamino)ethyl]-4-ethoxy-N-[2-(2-methoxyethylamino)ethyl]-3-(1-methyl-7-oxo-3-propyl-6H-pyrazolo[4,5-d]pyrimidin-5-yl)benzenesulfonamide
CID 135798080
N,N-bis(3-hydroxypropyl)-3-(1-methyl-7-oxo-3-propyl-6H-pyrazolo[4,5-d]pyrimidin-5-yl)-4-propoxybenzenesulfonamide
CID 135798109
2-[ethyl-[3-(1-methyl-7-oxo-3-propyl-6H-pyrazolo[4,5-d]pyrimidin-5-yl)-4-propoxyphenyl]sulfonylamino]ethyl acetate
CID 135771998
3-[3-hydroxypropyl-[3-(1-methyl-7-oxo-3-propyl-6H-pyrazolo[4,5-d]pyrimidin-5-yl)-4-propoxyphenyl]sulfonylamino]propyl acetate
CID 135513456
N-[3-(dimethylamino)propyl]-4-ethoxy-3-(5-ethyl-4-oxo-7-propyl-3H-imidazo[5,1-f][1,2,4]triazin-2-yl)-N-(2-hydroxyethyl)benzenesulfonamide
CID 135708051

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-N-(2-hydroxyethyl)-N-(2-methoxyethyl)-3-(1-methyl-7-oxo-3-propyl-6H-pyrazolo[3,4-c]pyridin-5-yl)benzenesulfonamide?
The IUPAC name of 4-ethoxy-N-(2-hydroxyethyl)-N-(2-methoxyethyl)-3-(1-methyl-7-oxo-3-propyl-6H-pyrazolo[3,4-c]pyridin-5-yl)benzenesulfonamide (CID 59868488) is 4-ethoxy-N-(2-hydroxyethyl)-N-(2-methoxyethyl)-3-(1-methyl-7-oxo-3-propyl-6H-pyrazolo[3,4-c]pyridin-5-yl)benzenesulfonamide.
What is the SMILES notation for 4-ethoxy-N-(2-hydroxyethyl)-N-(2-methoxyethyl)-3-(1-methyl-7-oxo-3-propyl-6H-pyrazolo[3,4-c]pyridin-5-yl)benzenesulfonamide?
The canonical SMILES for 4-ethoxy-N-(2-hydroxyethyl)-N-(2-methoxyethyl)-3-(1-methyl-7-oxo-3-propyl-6H-pyrazolo[3,4-c]pyridin-5-yl)benzenesulfonamide is CCCc1nn(C)c2c(=O)[nH]c(-c3cc(S(=O)(=O)N(CCO)CCOC)ccc3OCC)cc12.
What is the InChIKey of 4-ethoxy-N-(2-hydroxyethyl)-N-(2-methoxyethyl)-3-(1-methyl-7-oxo-3-propyl-6H-pyrazolo[3,4-c]pyridin-5-yl)benzenesulfonamide?
The InChIKey is KRNDASMVGVZBIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N4O6S/c1-5-7-19-18-15-20(24-23(29)22(18)26(3)25-19)17-14-16(8-9-21(17)33-6-2)34(30,31)27(10-12-28)11-13-32-4/h8-9,14-15,28H,5-7,10-13H2,1-4H3,(H,24,29).
What are the key properties of 4-ethoxy-N-(2-hydroxyethyl)-N-(2-methoxyethyl)-3-(1-methyl-7-oxo-3-propyl-6H-pyrazolo[3,4-c]pyridin-5-yl)benzenesulfonamide?
4-ethoxy-N-(2-hydroxyethyl)-N-(2-methoxyethyl)-3-(1-methyl-7-oxo-3-propyl-6H-pyrazolo[3,4-c]pyridin-5-yl)benzenesulfonamide has a molecular weight of 492.60 g/mol, XLogP of 1.91, 12 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-N-(2-hydroxyethyl)-N-(2-methoxyethyl)-3-(1-methyl-7-oxo-3-propyl-6H-pyrazolo[3,4-c]pyridin-5-yl)benzenesulfonamide is sourced from PubChem (CID 59868488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).