N-[4-[(4-fluorophenyl)sulfonylamino]phenyl]-3-(1,3,4,6-tetramethylpyrazolo[5,4-b]pyridin-5-yl)propanamide

C25H26FN5O3S — CID 24624544

IUPACN-[4-[(4-fluorophenyl)sulfonylamino]phenyl]-3-(1,3,4,6-tetramethylpyrazolo[5,4-b]pyridin-5-yl)propanamide
SMILESCc1nc2c(c(C)nn2C)c(C)c1CCC(=O)Nc1ccc(NS(=O)(=O)c2ccc(F)cc2)cc1
InChIInChI=1S/C25H26FN5O3S/c1-15-22(16(2)27-25-24(15)17(3)29-31(25)4)13-14-23(32)28-19-7-9-20(10-8-19)30-35(33,34)21-11-5-18(26)6-12-21/h5-12,30H,13-14H2,1-4H3,(H,28,32)
InChIKeyCYHZWTKUTAHNGP-UHFFFAOYSA-N
MW495.58 g/mol
LogP4.40
Rot. Bonds7

About N-[4-[(4-fluorophenyl)sulfonylamino]phenyl]-3-(1,3,4,6-tetramethylpyrazolo[5,4-b]pyridin-5-yl)propanamide

N-[4-[(4-fluorophenyl)sulfonylamino]phenyl]-3-(1,3,4,6-tetramethylpyrazolo[5,4-b]pyridin-5-yl)propanamide (PubChem CID 24624544) has the molecular formula C25H26FN5O3S and a molecular weight of 495.58 g/mol. Its IUPAC name is N-[4-[(4-fluorophenyl)sulfonylamino]phenyl]-3-(1,3,4,6-tetramethylpyrazolo[5,4-b]pyridin-5-yl)propanamide.

Molecular Properties

Compound NameN-[4-[(4-fluorophenyl)sulfonylamino]phenyl]-3-(1,3,4,6-tetramethylpyrazolo[5,4-b]pyridin-5-yl)propanamide
PubChem CID24624544
Molecular FormulaC25H26FN5O3S
Molecular Weight495.58 g/mol
Exact Mass495.17
IUPAC NameN-[4-[(4-fluorophenyl)sulfonylamino]phenyl]-3-(1,3,4,6-tetramethylpyrazolo[5,4-b]pyridin-5-yl)propanamide
SMILESCc1nc2c(c(C)nn2C)c(C)c1CCC(=O)Nc1ccc(NS(=O)(=O)c2ccc(F)cc2)cc1
InChIInChI=1S/C25H26FN5O3S/c1-15-22(16(2)27-25-24(15)17(3)29-31(25)4)13-14-23(32)28-19-7-9-20(10-8-19)30-35(33,34)21-11-5-18(26)6-12-21/h5-12,30H,13-14H2,1-4H3,(H,28,32)
InChIKeyCYHZWTKUTAHNGP-UHFFFAOYSA-N
XLogP4.40
TPSA105.98 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.58
LogP ≤ 54.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-methylphenyl)-3-(1,3,4,6-tetramethylpyrazolo[5,4-b]pyridin-5-yl)propanamide
CID 23604260
N-methyl-4-[3-(1,3,4,6-tetramethylpyrazolo[5,4-b]pyridin-5-yl)propanoylamino]benzamide
CID 24617794
N-[4-(ethylsulfonylamino)phenyl]-3-(3-methoxy-1,4,6-trimethylpyrazolo[5,4-b]pyridin-5-yl)propanamide
CID 55960855
3-(3-methoxy-1,4,6-trimethylpyrazolo[5,4-b]pyridin-5-yl)-N-phenylpropanamide
CID 38017763
N-(4-methylsulfonylphenyl)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 51290114
4-[4-[(4-fluorophenyl)sulfamoyl]anilino]-4-oxobutanoic acid
CID 1010683
N-(2-methylpropyl)-3-(1,3,4,6-tetramethylpyrazolo[5,4-b]pyridin-5-yl)propanamide
CID 24615757
N-cyclooctyl-3-(1,3,4,6-tetramethylpyrazolo[5,4-b]pyridin-5-yl)propanamide
CID 24615758
N-(4-chlorophenyl)-3-(3,4,6-trimethyl-1-phenylpyrazolo[5,4-b]pyridin-5-yl)propanamide
CID 23602910
N-(3-phenylpropyl)-3-(1,3,4,6-tetramethylpyrazolo[5,4-b]pyridin-5-yl)propanamide
CID 6625439
3-[1-(3,4-dimethylphenyl)-3,4,6-trimethylpyrazolo[5,4-b]pyridin-5-yl]-N-(4-methylphenyl)propanamide
CID 23603974
3-[6-ethoxy-3,4-dimethyl-1-(4-methylphenyl)pyrazolo[5,4-b]pyridin-5-yl]-N-(4-fluorophenyl)propanamide
CID 50796168

Frequently Asked Questions

What is the IUPAC name of N-[4-[(4-fluorophenyl)sulfonylamino]phenyl]-3-(1,3,4,6-tetramethylpyrazolo[5,4-b]pyridin-5-yl)propanamide?
The IUPAC name of N-[4-[(4-fluorophenyl)sulfonylamino]phenyl]-3-(1,3,4,6-tetramethylpyrazolo[5,4-b]pyridin-5-yl)propanamide (CID 24624544) is N-[4-[(4-fluorophenyl)sulfonylamino]phenyl]-3-(1,3,4,6-tetramethylpyrazolo[5,4-b]pyridin-5-yl)propanamide.
What is the SMILES notation for N-[4-[(4-fluorophenyl)sulfonylamino]phenyl]-3-(1,3,4,6-tetramethylpyrazolo[5,4-b]pyridin-5-yl)propanamide?
The canonical SMILES for N-[4-[(4-fluorophenyl)sulfonylamino]phenyl]-3-(1,3,4,6-tetramethylpyrazolo[5,4-b]pyridin-5-yl)propanamide is Cc1nc2c(c(C)nn2C)c(C)c1CCC(=O)Nc1ccc(NS(=O)(=O)c2ccc(F)cc2)cc1.
What is the InChIKey of N-[4-[(4-fluorophenyl)sulfonylamino]phenyl]-3-(1,3,4,6-tetramethylpyrazolo[5,4-b]pyridin-5-yl)propanamide?
The InChIKey is CYHZWTKUTAHNGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26FN5O3S/c1-15-22(16(2)27-25-24(15)17(3)29-31(25)4)13-14-23(32)28-19-7-9-20(10-8-19)30-35(33,34)21-11-5-18(26)6-12-21/h5-12,30H,13-14H2,1-4H3,(H,28,32).
What are the key properties of N-[4-[(4-fluorophenyl)sulfonylamino]phenyl]-3-(1,3,4,6-tetramethylpyrazolo[5,4-b]pyridin-5-yl)propanamide?
N-[4-[(4-fluorophenyl)sulfonylamino]phenyl]-3-(1,3,4,6-tetramethylpyrazolo[5,4-b]pyridin-5-yl)propanamide has a molecular weight of 495.58 g/mol, XLogP of 4.40, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(4-fluorophenyl)sulfonylamino]phenyl]-3-(1,3,4,6-tetramethylpyrazolo[5,4-b]pyridin-5-yl)propanamide is sourced from PubChem (CID 24624544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).