N-methyl-4-[(4R)-3-methyl-6-oxo-1-propyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-4-yl]benzenesulfonamide

C17H22N4O3S — CID 136820635

IUPACN-methyl-4-[(4R)-3-methyl-6-oxo-1-propyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-4-yl]benzenesulfonamide
SMILESCCCn1nc(C)c2c1NC(=O)C[C@@H]2c1ccc(S(=O)(=O)NC)cc1
InChIInChI=1S/C17H22N4O3S/c1-4-9-21-17-16(11(2)20-21)14(10-15(22)19-17)12-5-7-13(8-6-12)25(23,24)18-3/h5-8,14,18H,4,9-10H2,1-3H3,(H,19,22)/t14-/m1/s1
InChIKeyMMRZKTKMLLIPDZ-CQSZACIVSA-N
MW362.46 g/mol
LogP1.98
Rot. Bonds5

About N-methyl-4-[(4R)-3-methyl-6-oxo-1-propyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-4-yl]benzenesulfonamide

N-methyl-4-[(4R)-3-methyl-6-oxo-1-propyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-4-yl]benzenesulfonamide (PubChem CID 136820635) has the molecular formula C17H22N4O3S and a molecular weight of 362.46 g/mol. Its IUPAC name is N-methyl-4-[(4R)-3-methyl-6-oxo-1-propyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-4-yl]benzenesulfonamide.

Molecular Properties

Compound NameN-methyl-4-[(4R)-3-methyl-6-oxo-1-propyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-4-yl]benzenesulfonamide
PubChem CID136820635
Molecular FormulaC17H22N4O3S
Molecular Weight362.46 g/mol
Exact Mass362.14
IUPAC NameN-methyl-4-[(4R)-3-methyl-6-oxo-1-propyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-4-yl]benzenesulfonamide
SMILESCCCn1nc(C)c2c1NC(=O)C[C@@H]2c1ccc(S(=O)(=O)NC)cc1
InChIInChI=1S/C17H22N4O3S/c1-4-9-21-17-16(11(2)20-21)14(10-15(22)19-17)12-5-7-13(8-6-12)25(23,24)18-3/h5-8,14,18H,4,9-10H2,1-3H3,(H,19,22)/t14-/m1/s1
InChIKeyMMRZKTKMLLIPDZ-CQSZACIVSA-N
XLogP1.98
TPSA93.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.46
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-butyl-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 169411356
2-[2-methoxy-4-[(4S)-3-methyl-6-oxo-1-propyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-4-yl]phenoxy]acetamide
CID 136713751
(4R)-4-(4-fluorophenyl)-1,3-dimethyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 136892937
3-methyl-1-(3-methylbutyl)-4-[4-(4-methylpiperazin-1-yl)phenyl]-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 169417189
4-[(4S)-1,3-dimethyl-6-oxo-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-4-yl]benzoic acid
CID 136861074
1-(2-chlorophenyl)-4-(4-chlorophenyl)-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 135529902
3-methyl-4-(2-morpholin-4-ylquinolin-3-yl)-1-propyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 170507575
(4R)-1,3-dimethyl-4-(4-propan-2-yloxyphenyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 136826093
(4S)-4-(4-butoxyphenyl)-1-(4,6-dimethylpyrimidin-2-yl)-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 136871388
(4S)-4-(4-cyclopentyloxyphenyl)-1,3-dimethyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 136826138
ethyl 2-[4-(1,3-benzodioxol-5-yl)-3-methyl-6-oxo-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-1-yl]acetate
CID 135632968
ethyl 2-[(4R)-4-(3-hydroxyphenyl)-3-methyl-6-oxo-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-1-yl]acetate
CID 136887666

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-[(4R)-3-methyl-6-oxo-1-propyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-4-yl]benzenesulfonamide?
The IUPAC name of N-methyl-4-[(4R)-3-methyl-6-oxo-1-propyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-4-yl]benzenesulfonamide (CID 136820635) is N-methyl-4-[(4R)-3-methyl-6-oxo-1-propyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-4-yl]benzenesulfonamide.
What is the SMILES notation for N-methyl-4-[(4R)-3-methyl-6-oxo-1-propyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-4-yl]benzenesulfonamide?
The canonical SMILES for N-methyl-4-[(4R)-3-methyl-6-oxo-1-propyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-4-yl]benzenesulfonamide is CCCn1nc(C)c2c1NC(=O)C[C@@H]2c1ccc(S(=O)(=O)NC)cc1.
What is the InChIKey of N-methyl-4-[(4R)-3-methyl-6-oxo-1-propyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-4-yl]benzenesulfonamide?
The InChIKey is MMRZKTKMLLIPDZ-CQSZACIVSA-N. The full InChI is InChI=1S/C17H22N4O3S/c1-4-9-21-17-16(11(2)20-21)14(10-15(22)19-17)12-5-7-13(8-6-12)25(23,24)18-3/h5-8,14,18H,4,9-10H2,1-3H3,(H,19,22)/t14-/m1/s1.
What are the key properties of N-methyl-4-[(4R)-3-methyl-6-oxo-1-propyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-4-yl]benzenesulfonamide?
N-methyl-4-[(4R)-3-methyl-6-oxo-1-propyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-4-yl]benzenesulfonamide has a molecular weight of 362.46 g/mol, XLogP of 1.98, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-[(4R)-3-methyl-6-oxo-1-propyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-4-yl]benzenesulfonamide is sourced from PubChem (CID 136820635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).