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

C23H33N5O4S — CID 59868502

IUPACN-[2-(dimethylamino)ethyl]-4-ethoxy-N-methyl-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(C)CCN(C)C)ccc3OCC)cc12
InChIInChI=1S/C23H33N5O4S/c1-7-9-19-18-15-20(24-23(29)22(18)28(6)25-19)17-14-16(10-11-21(17)32-8-2)33(30,31)27(5)13-12-26(3)4/h10-11,14-15H,7-9,12-13H2,1-6H3,(H,24,29)
InChIKeyTXHCKKDKGQPSNY-UHFFFAOYSA-N
MW475.62 g/mol
LogP2.46
Rot. Bonds10

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

N-[2-(dimethylamino)ethyl]-4-ethoxy-N-methyl-3-(1-methyl-7-oxo-3-propyl-6H-pyrazolo[3,4-c]pyridin-5-yl)benzenesulfonamide (PubChem CID 59868502) has the molecular formula C23H33N5O4S and a molecular weight of 475.62 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-4-ethoxy-N-methyl-3-(1-methyl-7-oxo-3-propyl-6H-pyrazolo[3,4-c]pyridin-5-yl)benzenesulfonamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-4-ethoxy-N-methyl-3-(1-methyl-7-oxo-3-propyl-6H-pyrazolo[3,4-c]pyridin-5-yl)benzenesulfonamide
PubChem CID59868502
Molecular FormulaC23H33N5O4S
Molecular Weight475.62 g/mol
Exact Mass475.23
IUPAC NameN-[2-(dimethylamino)ethyl]-4-ethoxy-N-methyl-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(C)CCN(C)C)ccc3OCC)cc12
InChIInChI=1S/C23H33N5O4S/c1-7-9-19-18-15-20(24-23(29)22(18)28(6)25-19)17-14-16(10-11-21(17)32-8-2)33(30,31)27(5)13-12-26(3)4/h10-11,14-15H,7-9,12-13H2,1-6H3,(H,24,29)
InChIKeyTXHCKKDKGQPSNY-UHFFFAOYSA-N
XLogP2.46
TPSA100.53 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.62
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

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
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
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
3-[ethyl-[3-(1-methyl-7-oxo-3-propyl-6H-pyrazolo[3,4-c]pyridin-5-yl)-4-propoxyphenyl]sulfonylamino]propyl acetate
CID 59868518
2-[[4-ethoxy-3-(1-methyl-7-oxo-3-propyl-6H-pyrazolo[4,5-d]pyrimidin-5-yl)phenyl]sulfonyl-methylamino]ethyl acetate
CID 136618789
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-(diethylamino)ethyl]-4-ethoxy-N-methyl-3-(5-methyl-4-oxo-7-propyl-3H-imidazo[5,1-f][1,2,4]triazin-2-yl)benzenesulfonamide
CID 135708033
N-[2-(dimethylamino)ethyl]-4-ethoxy-N-methyl-3-(5-methyl-4-oxo-7-pentan-3-yl-3H-imidazo[5,1-f][1,2,4]triazin-2-yl)benzenesulfonamide
CID 135769894
4-ethoxy-N-methyl-N-[2-(methylamino)ethyl]-3-(5-methyl-4-oxo-7-propyl-3H-imidazo[5,1-f][1,2,4]triazin-2-yl)benzenesulfonamide
CID 135906899
N-[2-(dimethylamino)ethyl]-4-ethoxy-N-ethyl-3-(5-ethyl-4-oxo-7-propyl-3H-imidazo[5,1-f][1,2,4]triazin-2-yl)benzenesulfonamide
CID 135708036
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
5-(2-ethoxy-5-pyrrolidin-1-ylsulfonylphenyl)-1-methyl-3-propyl-6H-pyrazolo[4,5-d]pyrimidin-7-one
CID 135565522

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-4-ethoxy-N-methyl-3-(1-methyl-7-oxo-3-propyl-6H-pyrazolo[3,4-c]pyridin-5-yl)benzenesulfonamide?
The IUPAC name of 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) is N-[2-(dimethylamino)ethyl]-4-ethoxy-N-methyl-3-(1-methyl-7-oxo-3-propyl-6H-pyrazolo[3,4-c]pyridin-5-yl)benzenesulfonamide.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-4-ethoxy-N-methyl-3-(1-methyl-7-oxo-3-propyl-6H-pyrazolo[3,4-c]pyridin-5-yl)benzenesulfonamide?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-4-ethoxy-N-methyl-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(C)CCN(C)C)ccc3OCC)cc12.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-4-ethoxy-N-methyl-3-(1-methyl-7-oxo-3-propyl-6H-pyrazolo[3,4-c]pyridin-5-yl)benzenesulfonamide?
The InChIKey is TXHCKKDKGQPSNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H33N5O4S/c1-7-9-19-18-15-20(24-23(29)22(18)28(6)25-19)17-14-16(10-11-21(17)32-8-2)33(30,31)27(5)13-12-26(3)4/h10-11,14-15H,7-9,12-13H2,1-6H3,(H,24,29).
What are the key properties of N-[2-(dimethylamino)ethyl]-4-ethoxy-N-methyl-3-(1-methyl-7-oxo-3-propyl-6H-pyrazolo[3,4-c]pyridin-5-yl)benzenesulfonamide?
N-[2-(dimethylamino)ethyl]-4-ethoxy-N-methyl-3-(1-methyl-7-oxo-3-propyl-6H-pyrazolo[3,4-c]pyridin-5-yl)benzenesulfonamide has a molecular weight of 475.62 g/mol, XLogP of 2.46, 10 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)ethyl]-4-ethoxy-N-methyl-3-(1-methyl-7-oxo-3-propyl-6H-pyrazolo[3,4-c]pyridin-5-yl)benzenesulfonamide is sourced from PubChem (CID 59868502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).